Interuniversity Collection of Proceedings "Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials"
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Abstract archive

Межвузовский сборник научных трудов «Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов». Выпуск 10

Aleroev M.A., Ashkhotov O.G., Ashkhotova I.B.
Kinetics of electronic spectra of surface of india with adsorbed oxygen – page 6
Abstract: The spectra of Auger and plasmon losses of polycrystalline indium before and after aging in an oxygen medium have been studied. The kinetics of electronic states on the surface of indium with adsorbed layers of oxygen (exposure in an oxygen medium up to 5000 Langmuir and at atmospheric pressure at room temperature) is studied. It is shown that aging in an oxygen medium leads to the formation of an ordered oxide layer consisting of In2O3+In+O.
Keywords: surface, adsorption, indium, oxide, energy, spectroscopy, oxygen, analysis, ion, bond, atom.

Antonova E.S., Pastushenkov Yu.G.
Features of the low-temperature transformation in the micromagnetic structure of the intermetallic compound Ho2Fe17 – page 13
Abstract: We found that a three-phase micromagnetic structure may emerge when a magnetic field is applied to the intermetallic compound Ho2Fe17 with the magnetic crystallographic anisotropy of the «easy plane» type in the temperature range 10 ÷ 110 К. Using the method of magneto-optic Kerr effect, the temperature dependence of the field value where the third magnetic phase emerges was determined.
Keywords: micromagnetic structure, magnetic anisotropy of the type «easy plane», rare-earth intermetallic compounds, three-phase magnetic structure.

Apekov A.M., Shebzukhova I.G.
Polarization and dispersion corrections to the interfacial energy of the facets at the boundary between calcium/barium crystals and nonpolar organic liquids – page 20
Abstract: In this paper we have obtained polarization and dispersion corrections to the interfacial energy of the faces at the boundary between calcium and barium crystals of low-temperature modifications and nonpolar organic liquids using the electron-statistical method. We have shown orientation dependence of the corrections and interfacial energy of the crystals in view of polarization and dispersion corrections.
Keywords: interfacial energy, polarization correction, dispersion correction, electron-statistical method, nonpolar organic liquid, barium, calcium.

Aref`eva L.P., Shebzukhova I.G.
Wetting and anisotropy of interfacial energy on the contact boundary of indium nanocryctals and orientied substrate – page 27
Abstract: We propose a technique for estimating the wetting and anisotropy of the interfacial energy at the interface between the metal particles (indium) with a substrate based on the construction of the Winterbottom equilibrium shape of the crystal. The effective contact angle and the ratio of interfacial energies at the particle-substrate interface are calculated from the experimental data of the geometric characteristics of the particles obtained by analyzing the AFM images of the samples. The obtained dependences are qualitatively consistent with thermodynamic states and known data for other systems.
Keywords: interface energy, wetting, nanocrystals, indium, Winterbottom analysis, atomic-force microscopic.

Aref`eva L.P., Shebzukhova I.G.
The interfacial energy of metalic thin films on the boundary with liquid polar dielectric – page 35
Abstract: Expressions have been obtained for estimating the interfacial energy of metallic thin films at the interface with an organic dielectric coating. The case of the boundary of the contact of cobalt films with polyatomic alcohols (diols) is considered. Comparison with the experimental data shows a good agreement between the theoretical model and real objects.
Keyword: interface energy, polyatomic alcohols, thin films, polar organic dielectric.

Ataeva A.Yu., SverdlikG.I., KambolovD.A., AtaevA.R.
Modern methods of granulometric analysis of dusted materials containing nanoparticles – page 44
Abstract: In the work the differential and integral distribution of particles of dolomite flour and wings of zinc-containing welsh furnaces by size was studied by the method of analytical disk centrifugation with X-ray detection. The results of measurements for large particles in the regime of natural sedimentation G and for small particles, including nanoparticles, are considered in the centrifugation regime X.
Keywords: granulometric analysis, sedimentation regime, centrifugation mode, basis of weighing, nanoparticles, detection principle.

Akhmedov E.N.
Gold nanocrystal properties dependence on size and shape at isobaric conditions – page 53
Abstract: Using the nanocrystal RP-model, the state equation of a gold was calculated. On the basis of this equation the isobaric dependence of the melting temperature on the size and shape was obtained at P = 0. It is shown, that the stronger the shape of the nanocrystal deviates from the most energetically effective one, the bigger the size of the nanocrystal at the crystallization start point. Approximation of such points for various shapes made it possible to determine the crystallization start temperature of the Au macrocrystal: Tcr(N = ∞, P = 0) = 921K, which coincided with the rule of Turnbull.
Keywords: equation of state, nanocrystal, gold, size, shape.

Baidyshev V.S.
Computer simulation of the Cu@Si core-shell nanoparticles formation – page 64
Abstract: In this work computer simulation of the condensation processes of Cu-Si core-shell nanoparticles was performed by the molecular dynamics method. It was shown that simultaneous cooling of atomic vapors of copper and silicon leads to the formation of disordered CuSi alloy particles. A possible mechanism for the formation of nanoparticles (Cu – core, Si – shell) is associated with deposition of small silicon clusters onto a pre-formed copper core.
Keywords: computer simulation, molecular dynamics, core-shell nanoparticles, condensation.

Barakhtin B.K., Sedletsky R.V.
Peculiarities of structural variations at crystallization of highly filled composites on polymeric basis – page 73
Abstract: Composite samples with polymer matrixes of different compositions are investigated. The volume fraction carbon fillings of globular form quasi-isotropically distributed in the samples was found to range from 0.4 to 0.7. Under increasing the density, the modulus of elasticity and strength of the composites under discussion, some the quasi-periodical oscillations of mechanical parameters are discovered accompanied by changing both the value and sign of the Poisson coefficient. The nature of this phenomena has been established and a model of the structural variations has been proposed.
Keywords: polymer composite materials, mechanical tests, Poisson coefficient.

Bembel A.G., Talyzin I.V., Samsonov V.M.
Solid state wetting and dynamics of solid surface nanorelief – page 83
Abstract: Using molecular dynamics solid state wetting in the Cu (nanoparticle) / Cu (substrate) system was studied. It has been found that the solid state spreading mechanism corresponds, first of all, to the surface diffusion that was confirmed by the linear dependence of square radii of the first monolayer on the spreading time. A hypophysis was put forward and justified that the degradation of nanorelief of the solid surface occurs by means of the solid state wetting mechanism.
Keywords: solid state wetting, surface diffusion,  nanoparticle,  surface, nanorelief, molecular dynamics.

Bernatskii D.P., Pavlov V.G.
The effect of carbon on the diffusion of cesium on the renium surface – page 93
Abstract: The diffusion of cesium over the rhenium surface and the rhenium surface coated with carbon was studied by methods of the field electron and desorption microscopy. The method of continuous field desorption was used, in which surface diffusion ensures the flow of the adsorbate to the desorption site. It was found that the carbon-coated surface undergoes intensive diffusion of cesium, while there is no diffusion on the rhenium surface.
Keywords: surface diffusion, alkali metals, electric field, carbon, rhenium.

Bernatskii D.P., Pavlov V.G.
Application of the method of field desorption of sodium for studying carbon nanostructures on the surface of rhenium field emitter – page 99
Abstract: Field desorption microscopy was used to study the surface of the rhenium field emitter after its carbonization. Field electron and field desorption images of the surface after carbonation at adsorption of sodium atoms are obtained. On the basis on the analysis of modifications of the field electron and field desorption images of the surface at different values of the electric field we concluded that formation on the surface of the carbonized rhenium of bulk graphite nanostructures affects the emission processes.
Keywords: field desorption microscopy, electric field, field emitter, alkali metals, carbon nanostructures.

Berov Z.Zh., Manukyants A.R., Kasumov Y.N., Sozaev V.A.
Fhase forming and structural feature twu-layer coating «titanium/nichrome» on artificial polycrystalline diamonds – page 106
Abstract: The phase forming and the structural features of two-layer coating «titan/nichrome» on the surface of artificial polycrystalline diamonds ASB-4 are examined. The film was deposited by method of ion-plasma vacuum 10-2 Pа evaporation. The X-ray-phase film analysis indicated that at the surface the phases Ni4Ti3, Cr7Ni3, Cr2Ti, Cr0,875Ti0,125, NiTi and others are organized. In the films it is seen the fomation of spherical phases, conceivably Cr0,075Ti0,125. On diamond films, obtained by recuperation, the structural patterns are seen which are typical for Zn.
Keywords: phase forming, ion-plasma metallization, recuperation, diamonds.

BlinovA.V., SnezhkovaYu.Yu., YasnayaM.A., DyudyunO.A., KaznacheevY.V., ShevchenkoI.M.
Comparison of the ζ-potential measuring methods accuracy for the colloidal particles – page 115
Abstract: The study is devoted to the choice of an optimal method for determining the ζ-potential of colloidal SiO2 particles. The electrokinetic potential was measured using two methods: (i) acoustic and electro-acoustic spectroscopy; (ii) horizontal agarose gel electrophoresis. Based on experimental and calculated data, an optimal method for measuring the ζ-potential of colloidal SiO2 particles was chosen.
Keywords: ζ-potential, electro-acoustic spectroscopy, electrophoresis, absolute error, relative and normalized error, distribution of the mean square deviation.

BobrevaL.A., MasloboevaS.M., SidorovN.V., PalatnikovM.N.
Obtaining and investigation of the structural features of the LiNbO3:Zn (2,12  wt. % Zn) single crystal – page 124
Abstract. We carried out preparation of homogeneously doped charge LiNbO3:Zn ([Zn] = 2,44 wt. %) of congruent composition (ratio [Li]/[Nb]=0,96). From this charge a LiNbO3:Zn (Zn ~ 2.12 wt. %) single crystal by the Czochralski method was grown. Defect complexes (VLi)-OH of the LiNbO3 cong and LiNbO3:Zn crystals were discovered by IR-absorption spectroscopy in the area of stretching vibrations of OH-groups.
Keywords: homogeneous doping, charge, single crystal, lithium niobate, stretching vibrations of OHgroups.

Bogdanova E.A., Skachkov V.M., Shirokova A.G., Sabirzyanov N.A.
The use of different forms of hydroxyapatite to create a bioactive coating on a porous titanium-base – page 133
Abstract: The article discusses methods of creating a bioactive composite on a porous titanium base. The possibility of formation of coatings based on colloidal hydroxyapatite and an aqueous suspension of powder hydroxyapatite in various ways has been studied. The adhesive properties of the obtained coatings are estimated.
Keywords: biocomposites, functional bioactive coating, strength properties, hydroxyapatite, porous titanium.

Bogdanova E.A., Skachkov V.M., Sabirzyanov N.A.
Study of the influence of anionic substitution in hydroxyapatite structure and properties of ceramics on it based – page 142
Abstract: The article discusses the possibility of strengthening stoichiometric hydroxyapatite obtained by precipitation from the solution by partial substitution of phosphate groups with silicate ions. Such characteristics of samples as phase composition, morphology, particle size distribution, specific surface area have been studied. It was established that the degree of substitution affects the mechanical properties of synthesized powders and ceramics after annealing.
Keywords: hydroxyapatite, silicon-substituted hydroxyapatite, biocomposites, microhardness.

Bolotov A.N., Novikov V.V., NovikovaO.O.
Hard lubricant ceramic coatings with nano- and microdispersed filler – page 150
Abstract: A basis was developed for a technology of the solid lubricant ceramic coatings with antifriction filler. We have made physical, mechanical and tribotechnical tests of the received materials and gave a recommendation for their practical application.
Keywords: composite ceramic coatings, hard lubricant materials, antifriction fillers, nanodispersed particles, friction, wear.

BolotovA.N., NovikovV.V., NovikovaO.O.
Lubricating oils on the basis of nanoliquids – page 159
Abstract: We established applicability of dispersed medium based on diesters of carbonic acids for production the low-viscosity magnetic oil of new generation. It was shown unusual approach to select surfactant-stabilizer for colloidal structure of oils considering their dielectric properties and friction effects. It was submitted the preselection findings of the additions and fillers for magnetic oil which are characterized by the different mechanism of reducing friction.
Keywords: magnetic lubricating oil, friction, wear, lubricant, dispersed medium, dispersed phase, antifriction and wearproof additives.

BolshakovaN.N., Bolshakova О.V., IvanovV.V., IvanovaT.I., SemenovaE.M.
Niobium-containing barium titanate crystals switching processes – page 169
Abstract: The results of research of the processes of polarization of niobium-containing crystals of barium titanate in changing electric fields are presented. It has been established that the time for reorganization of the ferroelastic domain structure is 30-40 times shorter than the switching time of the total polarization of the crystal, which indicates that the main switching time of BaTiO: Nb5+ crystals is determined by the change in its ferroelectric 180° domain structure.
Keywords: processes of switching, domain structure, barium titanate, polarization-optical method, Barkhausen effect.

BrylkinYu.V., ZaloginG.N., KusovA.L., RudinN.F.
The error in probe measurements of heat flux dissociated gas streams – page 178
Abstract: The main error in strongly dissociated laminar gas jets (nitrogen, air, CO2) affecting the measured heat flux is the surface catalytic activity of the heat-receiving element with respect to the reactions of the heterogeneous recombination of atoms. The purpose of this work is to estimate the heat flux measurement errors due to the influence of the surface layer area on the micro-and nanoscale.
Keywords: catalytic activity, surface structure, heat flux.

Burtsev A.A., Butkovsky O.Ya.
Modeling fractal crystals forming on the surface of stainless steel by cellular automata – page 187
Abstract: In this paper experiments on crystallization from melts and results of analysis of the morphology of formed crystal structures are discussed. Some examples of forming complex dendritic formations are shown. Different types of the crystal morphology arise in dependence on the duration of heating and the energy of the acting radiation. Models of the distribution of crystallization centers and the growth of an individual cluster under the diffusion process were modelled by the methods of cellular automata. The relationship between the morphology and the model parameters is analyzed.
Keywords: laser heating, metal surface modification, crystallization, fractal, dendritic crystals, diffusion-limited aggregation, cellular automata.

VazirovR.A., SokovninS.Yu., IlvesV.G.
Antioxidant properties of cerium dioxide nanoparticles – page 196
Abstract: Studies of biological activity of cerium dioxide nanoparticles show that this compound exhibits antioxidant, antitumor, antibacterial and antiviral properties. The cerium dioxide nanoparticles were obtained by evaporation of a target by a pulsed electron beam in a low-pressure gas with a specific surface area of 190 m2/g. To determine the enzyme-like activity of cerium dioxide nanoparticles, chemical analysis of interaction with the hydrogen peroxide was carried out. The results show an active inhibition of reactive oxygen species at pH above 6.
Keywords: nanopowder, nanoparticles, suspension, cerium dioxide, reactive oxygen species, antioxidant.

Vasilyev S.A., Kartoshkin A.Yu., Samsonov M.V., Dyakova E.V.
Melting of metal nanowires: molecular dynamics simulation – page 204
Abstract: A comparative molecular dynamics study has been carried out of the melting of infinite metallic nanowires and free spherical metallic nanoparticles of the same diameter. It was found that the nanowire is melted at a higher temperature than its spherical analogue as the shape of the nanowire is non-equilibrium. As a result, the melting of the nanowire leads to the loss of its stability, i.e. to the break of the nanowire.
Keywords: metal nanowire, melting, size dependence, molecular dynamics, free nanoparticle.

Gafner Yu.Ya., Gafner S.L., Redel L.V.
Nanostructures as a material for phase-inverse memory – page 210
Abstract: Despite on long researches, chalcogenide alloys are still generally used in the contemporary PCM layouts as the operating layer material undergoing structural transformations. However, the evolution of the technique aimed at the creation of new non-volatile arrays of information requires different technical solutions. First of all, it deals with the reduction of one bit storage area to several nanometers and reduction of the access time, in particular the possible application in the PCM memory of small metallic nanoclusters.
Keywords: phase transition, memory cells, nanostructures.

Gafner Yu.Ya., Bashkova D.A., Gafner S.L., Redel L.V.
Evaluation of applicability of small silver nanoparticles as the cells of PCM memory – page 219
Abstract: In this paper, one of the aspects of using metallic nanoclusters was considered, namely the use of silver nanoparticles as separate bits of information in memory devices based on the phase-change memory (PCM) method. The basic principle of this approach is that to locally change the phase state of a memory cell from crystalline to amorphous, keep this phase as long as you like and, if necessary, and return the material to its original crystalline state. Based on the results of simulation of silver nanostructures, it was concluded that their use as a memory element based on phase transitions is allowed, but with a particle size limitation exceeding 8.0 nm.
Keywords: phase transition, memory cells, silver, nanoclusters.

Gafner Yu.Ya., Bashkova D.A., Gafner S.L.
Using nanoparticles of Ag – Cu alloy as separate bits of PCM memory – page 226
Abstract: One of the promising areas of application of metallic nanoparticles is the creation of devices on their basis with a high information recording density that generates interest in the study of their magnetic, optical and structural-phase properties. In this paper, one of the aspects of using metallic nanoclusters. Namely we mean the use of silver-copper nanoparticles as separate bits of information in memory devices based on the phase-change memory.
Keywords: phase transition, memory cells, silver, copper, nanoclusters.

Grebenyuk G.S., Lobanova E.Yu., Pronin I.I.
The influence of the intercalated silicon on the graphene electronic structure – page 234
Abstract: Intercalation of the graphene-cobalt system with silicon was investigated experimentally. The ab initio calculation of the electronic structure of a low-dimensional graphene-silicon-cobalt system was carried out using the density functional theory. The most advantageous positions of intercalated Si atoms are determined. It is shown that the introduction of silicon under graphene leads to a sharp decrease in the interaction of carbon atoms with the substrate.
Keywords: graphene, intercalation, cobalt silicides, DFT calculations, thin films, photoelectron spectroscopy.

ErshovP.M., KolosovA.Yu., MyasnichenkoV.S., SokolovD.N., KhortA.A., BogdanovS.S., Shimanskaya H.N., SdobnyakovN.Yu.
Invetigation of size dependences of melting and crystallization temperatures and specific excess surface energy of nickel nanoparticles under melting / crystallization phase transition – page 242
Abstract: The Monte Carlo method was used to study size dependences of the melting and crystallization temperatures of nickel nanoparticles, their hysteresis area, and changes in the specific excess surface energy during the direct and reverse melting/crystallization phase transition. Simulation results for nickel nanoclusters indicate the presence of melting and crystallization temperature regions, which generally correlates well with simulation results for other metals. We employed simulation by using the embedded atom model and tight-binding Cleri-Rosato potential. Results of three series of computer experiments for the size dependences of the melting and crystallization temperatures made using the two interatomic potentials in the software package LAMMPS and our own softwares were found to be in good accordance between themselves.
Keywords: nickel nanoparticles, Monte-Carlo method, Gupta potential, size dependences, melting and crystallization temperatures, specific excess surface energy.

EfremovV.V., ShcherbinaO.B., RadyushYu.V., PalatnikovM.N.
Microstructure, phase states, dielectric and elastic properties of ceramic solid solutions Li0,17Na0,83NbyTa1-yO3 obtained at high pressure – page 252
Abstract: Microstructure and elastic properties of ferroelectric ceramic solid solutions Li0,17Na0,83NbyTa1-yO3 with a perovskite structure were investigated, obtained by thermobaric synthesis at high pressures and temperatures. The electrical characteristics and phase states of a series of ferroelectric high-pressure solid solutions Li0,17Na0,83NbyTa1-yO3 ( y = 0,1 — 0,5 ) were investigated by the impedance spectroscopy method. Some anomalies are revealed in ε'(T) and σsv(T) dependencies associated with phase transitions in the studied ceramic samples. The values were established of the static conductivity as a function of the temperature and enthalpy of activation of charge carriers. It was found that Li0,17Na0,83NbyTa1-yO3 is a high-temperature superionic.
Keywords: solid ferroelectric high-pressure solutions, microstructure, Young’s modulus, impedance spectroscopy, dielectric permittivity, electrical conductivity.

ZlygostevaO.A., SokovninS.Yu., Il’vesV.G.
The use of SiO2 — MnO2 nanopowders for targeted drug delivery – page 262
Abstract: Application of manganese-doped mesoporous silica nanopowders SiO2 — MnO2 for targeted drug delivery was researched. It has been established that an increase in sonicated time leads to changes in the NP structure. The produced nanopowders have a high loading capacity 0,09 mg of Amoxicillin per mg of nanopowder, 0,075 mg of Doxorubicin per mg of nanopowder that is five times higher than the loading capacity of chemically synthesized nanopowders.
Keywords: mesoporous silica nanopowder, dopant manganese dioxide, targeted drug delivery.

IvanovV.V., GolubevaE.N., SergeevaO.N., NekrasovaG.M., ProninI.P., KiselevD.A.
Peculiarities of the process of switching polarization in polycrystalline thin films of lead zirconate-titanate – page 270
Abstract: The paper presents the results of a study of relaxation of the dielectric permittivities in constant electric fields upon switching the polarization of thin films of lead zirconate-titanate, crystallized at different annealing temperatures. It is shown that the relaxation processes are characterized by at least three relaxation times which depend on the crystallization temperature. It is shown that the relaxation processes depend on the localization of lead oxide in the bulk of the film.
Keywords: thin films of lead zirconate-titanate, dielectric permeability, relaxation time, crystallization temperature, lead oxide.

Ivanov V.I., Ivanova G.D., Mjagotin A.V.
Thermodiffusion contribution in the thermal lens response of the nanosuspension – page 280
Abstract: A new two-beam configuration of the thermal lens method for the nonlinear optical diagnostics of nanosuspensions is presented. The proposed configuration eliminates the influence of the electrostrictive response and thus provides the determination of thermodiffusion coefficient of nanoparticles.
Keywords: thermal lens response, nanosuspension, thermodiffusion, electrostriction.

IvanovV.I., IvanovaG.D., KrylovV.I., KheV.K.
Sedimentation of nanoparticles under the action of light pressure forces in liquid media – page 286
Abstract: A model of sedimentation of nanoparticles in a uniform light field is considered as an alternative to methods of precipitation in a gravitational field and centrifugation. The exact analytical solution of the one-dimensional nonstationary mass transfer problem in a bounded cell is given. The main parameters of the centrifugal and light-induced sedimentations of nanoparticles are compared.
Keywords: sedimentation, dispersed media, light pressure.

IvanovD.V., AntonovA.S., SdobnyakovN.Yu., ShimanskayaH.N., RomanovskaiaE.V., AfanasievM.S.
About «technological» properties of nano-sized nickel and copper films – page 291
Abstract: As an example of studying morphology of the relief of nickel and copper nano-sized films on the mica surface, it is possible to create a technology to «grow» structures with a given surface morphology using a scanning tunneling microscope. The characteristic features of the film surface nanorelief are described, including fractal properties. The current-voltage characteristics of a metal-to-metal contact for nickel and copper films with a tungsten tip are obtained. It is shown that for surface areas containing fractal structures, the current-voltage characteristics may differ from the dependences obtained on ordinary surfaces.
Keywords: scanning tunneling microscopy, nanorelief, fractal dimension, nanoscale films of nickel and copper, current-voltage characteristic, tunnel contact.

IvanovYu.F., DenisovaYu.A., PetrikovaE.A., TeresovA.D., LykovS.V., Ivanova О.V., Klopotov A.A.
Combined method of diffusion saturation of steel by nitrogen – page 304
Abstract: The results obtained during the study of 20H13 steel subjected to a combined treatment including irradiation with a pulsed electron beam and nitriding in a plasma of a low-pressure gas discharge are presented. It is shown that nitriding of steel previously irradiated with an electron beam makes it possible to increase in 1,8 times the microhardness of the surface layer of 140 μm in thickness on the original sample and in 1,4 times on the sample after nitriding.
Keywords: intense pulsed electron beam, nitriding, gas discharge plasma, nanoparticles, phase composition, defective substructure, properties.

Izmailov V.V., Novoselova M.V.
On nanotopographic parameters of engineering surface and its profile – page 313
Abstract: Amplitude and spacing parameters of engineering surfaces nanotopography and some their correlations have been considered in comparison with similar parameters and correlations on a microscale level (microroughness). It is shown that on a nanoscale level theoretical and empirical relations characterizing a surface topography on a microscale level hold true.
Keywords: surface, topography, nanoroughness, microroughness, amplitude parameters, spacing parameters, correlations.

IlvesV.G., SokovninS.Yu., ZayatsS.V., MurzakaevA.M., Demina Т.М., ZuevM.G.
Properties of compacts from BaF2 nano-powder obtained by pulsed electron beam evaporation – page 322
Abstract: In this work, a mesoporous crystalline BaF2 nanopowder with specific surface area (Sred) up to 34,8 m2/g was obtained by evaporation of targets of a micron BaF2 powder (Sred = 0,38 m2/g) of optical purity with a pulsed electron beam. Textural and thermal features of BaF2 nanopowder (before and after annealing at  200°C in air) and individual properties of compacts made from BaF2 nanopowder by pulsed magnetic pressing and static pressing are studied. By means of pulsed magnetic pressing in vacuum at a temperature of about 425°C, vitreous, opaque compacts of black color, promising for use as scintillators and dosimeters, were obtained. The effect of pressing methods on the cathodoluminescence and photoluminescence characteristics of compacts from BaF2 is studied.
Keywords: pulsed electron beam evaporation, nanocrystalline barium fluoride, textural and thermal properties of BaF2  nanopowder, luminescence of compacts from BaF2  nanopowder.

Kandaurov M.V., Vladimirova E.V., Dmitriev A.V.
Sol-gel fabrication, morphology and magnetic properties of multiferroics BiFe1-xMnxO3 – page 330
Astract: Experimental data on the synthesis and properties of the solid solution BiFe1-xMnxO3 are given. The length of the solid solution (0 ≤ x ≤ 0,20) was established, the morphology of the particles and magnetic properties of the samples were investigated in dependence on the content of a dopant. Nonlinear concentration dependences of magnetic characteristics for BiFe1-xMnxO3 with a maximum at the manganese 5 — 7 mol. %. content were found.
Keywords: bismuth ferrite, doping, sol-gel method, morphology, agglomerates, solid solution, phase composition, magnetic properties.

KarpenkovA.Yu., DunaevaG.G., RakunovP.A., SemenovaE.M.
Method of analysis of the reversal magnetization processes using magnetic domain structure images – page 338
Abstract: A unique software and hardware system for obtaining and automatic analysis of the magnetic domain structure images in an external magnetic field for further study of the magnetization reversal process was developed. The method efficiency and possibility of its use for studying the magnetization reversal of local surface regions of magnetic materials are shown, using the experimental magnetization curves of an yttrium-iron garnet film.
Keywords: magnetic domains, magnetization reversal, magnetization curves, magnetic films, yttrium-iron garnet.

Kiseleva M.A., Sokovnin S.Yu., Balezin M.E.
Producing nanodimensional silver covering on aluminum oxide nanopowder – page 345
Abstract: The principal possibility of the composite particles production by the radiation-chemical method was shown. The composite particles were obtained in the nanoscale range ( 60 — 80 nm) from aluminum oxide partially coated with silver. The coating percentage was from 2 — 3% to 16 — 40%. The high efficiency of the production method was demonstrated. The ability to control the deposition process and the type of silver coating by changing the deposition time had also been established.
Keywords: radiation technology, nanoparticles, silver-coated alumina.

M.V. Knat’ko, M.N. Lapushkin
Violation of the energy distribution of desorbiting ions Na+ in thermal ionization on the surface of NaAuy alloy – page 352
Abstract: The effect of the applied external electric field on the energy distribution of desorbed  from the  alloys are presented. It is shown that the energy distributions of the desorbed  depend on the distribution of positive charge carriers near the surface that, in turn, depends on the external electric field.
Keywords: thermal ionization, adsorption, surface states, intermetallic alloys.

KolosovA.Yu., MyasnichenkoV.S., BogdanovS.S., RomanovskiyV.I., NepshaN.I., ShcherbatykhK.R., SdobnyakovN.Yu.
On the regularities of formation of mono- and bimetallic nanoparticles in the coalescence process – page 359
Abstract: The simulation was carried out using two alternative Monte Carlo and molecular dynamics methods of the coalescence process with gradual thermal action for metallic nanoparticles based on nickel, aluminum, copper, silver and gold. The following types of mono- and bimetallic systems were considered: in the form of a sphere and in the form of two perpendicular blocks. It is established that the evolution of the coalescence process for monometallic nanoparticles differs significantly from that for bimetallic nanoparticles. Characteristics such as the coalescence temperature, the structure and shape of the neck, the dihedral angle between the nanoparticles can differ significantly. It is argued that it is impossible to accurately predict the behavior of a bimetallic system in the process of coalescence, knowing the evolution of the process of coalescence for monometallic systems consisting of the same metals.
Keywords: mono- and bimetallic nanoparticles, molecular dynamics, coalescence, Monte-Carlo method, molecular dynamics, dihedral angle.

KotomkinA.V., RusakovaN.P., TurovtsevV.V., OrlovYu.D.
Electronic integral characteristics of groups in the fluoro-substituted of isobutan and neopentan – page 368
Abstract: Within a «quantum theory of atoms in molecules» (QTAIM) the equilibrium geometry and the electron structure of fluoro-substituted molecules (CH3)2−CH−CH(3-n)Fn and (CH3)3−C−CH(3-n)Fn, where 1 ≤ n ≤ 3, were studied. Intramolecular interactions also discussed.
Keywords: branched fluorinealkanes, electronegativity, quantum theory of atoms in molecules, electron charge density, steric effect.

Krut’koV.K., KulakA.I., MusskayaO.N., SafronovaT.V., BudeikoN.L.
Calcium phosphate foam ceramics with regulated bioactivity – page 374
Abstract: The introduction of a 10−50 mass.% of brushite powder or tricalcium phosphate heated at  50−70°C in a hydroxyapatite slip leads after annealing at  1200°C to formation of resorbable calcium phosphate phases which make it possible to regulate the degree of bioactivity of the foam ceramics.
Keywords: calcium phosphate foam ceramics, hydroxyapatite, brushite, tricalcium phosphate, bioactivity.

KuznetsovYu.A., LavrovskayaN.P., Rut’kovE.V., GallN.R.
Temperature effect on electron-stimulated desorption of cesium atoms from graphene on iridium – page 383
Abstract: Electron-stimulated desorption of cesium atoms from monolayer graphene on iridium has been observed at 160 K and 300 K. Migration processes have been shown to be frozen at 160 K, and cesium atoms to be located only at the graphene surface. At 300 K, due to intercalation an additional layer of cesium atoms is produced and located under the graphene layer. We believe that observed electron-stimulated desorption of cesium atoms is due to the non-metal nature of the adsorbed graphene film independently on the metal nature under it: iridium or cesium.
Keywords: electron-stimulated desorption, graphene, intercalation.

KuznetsovYu.A., LapushkinM.N.
Electron-stimulated desorption of Cs atoms from graphene on Ir: experiment and model – page 393
Abstract: The processes of electron-stimulated desorption of Cs atoms from the graphene film on the iridium ribbon have been studied. The model of the Cs atom electron-stimulated desorption processes from the graphene film have been suggested. It has been shown the community and the difference of the electron-stimulated desorption processes for high-energy and low-energy peaks in the kinetic energy distributions of the desorbed atoms.
Keywords: electron-stimulated desorption, adsorption, alkali metals, graphene.

Kul’kov V.G., SyshchikovA.A.
Intergranular slippage on faceting boundaries with a bimodal distribution of facet dimensions – page 401
Abstract: The speed of mutual displacement of the grains along faceting boundary with two characteristic sizes of facets under the external shear stress is considered. Based on the solution of the stationary equation of diffusion of vacancies at the grain boundary, the distribution of their concentration and normal stresses along the facets is found. The presence of smaller facets leads to an increase in the speed of intergranular slippage.
Keywords: faceted grain boundaries, intergranular slippage, vacancies, diffusion.

Kumykov T.S., Nagaplezheva R.R.
The influence of the filler on the surface tension of a binary mixture of butadiene nitrile rubber (SKN-26) with polyvinyl chloride (PVC) – page 408
Abstract: The effect of the concentration of carbon black and aluminum oxide nano-additives on the surface tension of polymer-composite materials SCN-26 and PVC was investigated by the neutral drop method. Extreme changes in properties of the materials under study depending on the composition are found, which are explained by the effects of redistribution of high — and low-molecular fractions on the surface of the filler and colloidal chemical phenomena in the binary polymer mixture.
Keywords: neutral drop method, nanoparticle, filler, interphase phenomenon, polymer matrix.

E.D. Kurbanova, V.A. Polukhin
Structure – dynamic effects in metal melts, glasses and nanocrystals in dependence of temperature – page 414
Abstract: The researchers have conducted a comprehensive analysis of both the original material characteristics and the available information on phase-structural transformations during cooling, glass transition and crystallization of melts, with detailed tracking of their ordering with using the methods as synchrotron X-ray diffraction, scanning electron microscopy, differential scanning calorimetry measurements, and with the interpretation of data by molecular dynamic simulation and thermodynamic calculations.
Keywords: melts, amorphous alloys, glass transition, X-ray diffraction, differential scanning calorimetry, medium order, structural factor, heat capacity, hidden liquid transitions, viscosity, diffusion, crossover.

Kushnarev B.O., Khludkova L.S.
Gas-sensitivity of tin dioxide thin film to kerosene vapours at room temperature – page 420
Abstract: The results of experimental studies the gas sensitivity of SnO2  thin films to kerosene vapor at room temperature in an atmosphere of dry and wet air are presented. The presence of water vapor in the surrounding atmosphere does not significantly affect the gas sensitivity of thin films to kerosene vapor. It is suggested that the process of oxidation of unsaturated hydrocarbons on the surface of tin dioxide has an autocatalytic character.
Keywords: gas-sensitivity, tin dioxide, thin films, kerosene vapors, room temperature.

LaipanovM.Z., ManukyantsA.R., SozaevV.A., KhubolovB.M.
Diffusional interaction in tin film – nickel base system – page 427
Abstract: In this work a Sn film was deposited on the nickel base of NP-2 sort in vacuum and bimetal nickel-tin compositions have been received. Eutectic formations, arising at the surface of tin film owing to a diffusional cooperation with the nickel base have been found by the scanning electron microscopy method. The X-ray-phase analysis of tin film was performed by using the small-angle scattering.
Keywords: bimetal compositions, diffusional of interaction, eutectic, films.

Magomedov M.N.
On the variation of the baric properties with a decrease in the size of a silicon nanocrystal – page 434
Abstract: Properties of a nanocrystal are calculated by means of the Mie-Lennard-Jones pair interatomic potential and the RP-model of the nanocrystal. The state equation P(v/v0, T) and the baric dependences for the lattice and for the surface properties both for macro- and for nano-crystals of silicon are found. A changes in the properties both at isochoric (v/v= 1) and at isobaric (P = 0) decrease in the number of atoms in a cubic nanocrystal at the different temperatures were studied.
Keywords: nanocrystal, the state equation, isochoric, isobaric, silicon.

MagomedovR.A., AkhmedovE.N., MeilanovR.R., BeybalaevV.D., AliverdievA.A.
Calculations of thermophysical characteristics of xenon – page 446
Abstract: On the basis of a generalization of thermodynamics in fractional derivatives and some analytical expressions obtained, taking into account the second virial coefficient B, we calculated thermophysical characteristics of a noble gas xenon Xe: entropy S and isochoric heat capacity CV. The calculated thermophysical parameters of exemplifying on xenon at temperatures 500, 1000, 1400, 2000 К in the pressure range from 0,1 to 90 MPa are given.
Keywords: thermodynamics, fractional derivative, fractal equation of state, entropy, isochoric heat capacity.

Malyshev M.D., Baburkin P.O., Adamyan A.N., Pakhomov P.M., Komarov P.V.
Simulation of the maturation process cystein-silver solution – page 453
Abstract: In this paper, the process of maturation of an aqueous solution of L-cysteine and silver nitrate using the method of atomistic molecular dynamics is investigated. To study the maturation process, an atomistic model of the solution was developed. The study allowed to obtain new data on the structure of silver mercaptide clusters and the role of their structural features in the process of further self-organization.
Keywords: hydrogel, supramonomer, computer simulation, atomistic model.

Mikitchuk E.P., Kozadaev K.V.
Convergence for simulation of surface nanostructure optical properties using finite integral technique – page 460
Abstract: Computer model of 2D-monolayer of noble metal nanoparticles on the solid substrate in the air surrounding is improved. Convergence for simulation of surface nanostructure optical properties using finite integral technique is studied by means of electromagnetic far-field analysis as well as re-calculation of scattering matrices obtained with finite integral technique. Both simulation residual and time is estimated for named approaches.
Keywords: surface nanostructure, monolayer of metallic nanoparticles, finite integral technique, surface plasmon resonance.

Musskaya O.N., Kulak A.I., Krut’ko V.K., Glazov I.E.
Adsorption-structural properties of calcium phosphates xerogels obtained by liquid-phase synthesis – page 468
Abstract: It has been established that xerogels of basic and medium calcium phosphates obtained by dehydration of calcium phosphate gels in air at 20°C with water-removing agents, cryogenic treatment (at −18 and −196°C) are characterized by a high specific surface (up to 158 m2/g). It was found that high-temperature heating of calcium phosphates at 800−1200°C leads to a significant decrease in their adsorption capacity (ABET 10−17  m2/g).
Keywords: calcium phosphate xerogel, adsorption-structural properties, hydroxyapatite, tricalcium phosphate, brushite, carbonate hydroxyapatite.

MyasnichenkoV.S., KolosovA.Yu., SokolovD.N., DavydenkovaE.M., SdobnyakovN.Yu.
Calculation of the surface energy of copper nanowires of different thickness and orientation – page 477
Abstract: The Monte-Carlo lattice method is used to search for the surface structure of crystalline copper nanowires of various orientations. Fragmentation of 3,3 nm thick wires into individual spherical nanoparticles is observed. When a nanowire with an initial orientation along the [100] crystallographic axis is rotated, its surface energy increases monotonically to a certain value of the angle of rotation, with a further decrease with orientation along the [110] axis. A dependence of the surface energy on the nanowire’s diameter was not revealed.
Keywords: surface, Monte Carlo method, tight-binding potential, crystal lattice, nanowire, Rayleigh-Plato instability, fragmentation.

Nagorny Y.E., Politaev D.N.
Investigation of mechanical properties of silicane in the valence force field model – page 485
Abstract: Numerical simulation of mechanical properties of silicene samples are made in the valence force field model. The dependences of elastic modules on linear dimensions are found. The results are compared with those obtained in the of central force field model. Behavior of the corresponding graphs is similar. At the same time, a lag of values of the elastic modules received within the valence force field model in comparison with the central forces field model was observed. The lag in question accrues with growth of the sample sizes.
Keywords: central force field, valence force field, silicene, Young’s modulus, Poisson’s ratio.

NemyginaN.A., BahvalovaE.S., BuchmaE.V., SmirnovI.S., NikoshviliL.Zh., SulmanE.M.
Influence of local surface plasmon resonance on behavior of polymer-stabilized bimetallic nanoparticles in Suzuki cross-coupling reaction – page 492
Abstract: This paper is devoted to investigation of the effect of light in the visible spectral range on the activity of mono- (Au, Pd) and bimetallic (Au−Pd) catalysts. Electron microscopy data showed that nanoparticles with a core-shell structure are formed during the synthesis of a bimetallic catalyst. As a result of the testing of mono- and bimetallic samples in the Suzuki reaction between 4-bromoanisole and phenylboronic acid under optimum conditions, it was found that the activity of the bimetallic catalyst increases markedly when the light response is carried out by the occurrence of a local surface plasmon resonance, which is supposed to accelerate the stage oxidative addition of 4-bromoanisole to palladium.
Keywords: Suzuki cross-coupling reaction, gold, palladium, bimetallic catalyst, hypercrosslinked polystyrene, local surface plasmon resonance.

Orakova M.M., Mustafaev G.A., Nagaplezheva R.R.
Study of wetting the surface of silicon with NaCl-water solution – page 501
Abstract: The dependence of the water runoff angles from the silicon surface on the conditions of their preparation is investigated. The objects of investigation were single-crystal silicon plates KDB-10 with orientations (111) and (100). It is shown that the use of ethanol in the preparation of plates improves wetting with water. It is also established that small doses of NaCl in water do not affect the angle of the droplet flow.
Keywords: adsorption, drain angle, wetting angle, surface tension, Auger analysis.

Pan’kin N.A., Bataykina I.A.
Investigation of the bombardment of low-energy isomers of Tin clusters (n = 7, 13, 15, 19) by titanium atoms: molecular dynamics simulation – page 506
Abstract: The process of bombardment of low-energy isomers of Tin (n = 7, 13, 15, 19) clusters by titanium atoms is considered by molecular dynamics. It is shown that the initial cluster temperature (up to 500 K) does not influence the final results. Ion bombardment leads to the destruction of the initial cluster structure with the release of smaller particles. A significant fraction of the spray/decomposition products are monomers and dimers.
Keywords: isomer, bombardment, distribution functions, cluster.

Pan’kin N.A., Mishkin Vl.P.
Electron microscopy of Cu – SiC composites: a cold-molding and solid phase sintering – page 517
Abstract: Cu − SiC composites were studied by scanning electron microscopy after processes of molding and a heat treatment. After pressing, plastic deformation of copper particles and traces of destruction of silicon carbide (cracks and debris) are observed. After the solid-phase sintering, formation of a porous structure in the matrix material is noted without significant changes in the filler particles. Data on the distribution of chemical elements near the SiC − Cu interface indicate an insignificant effect of diffusion processes.
Keywords: composite, electron microscopy, copper, silicon carbide, microstructure, pores.

Petrik G.G.
A modelling approach to the choice of the equations of state of analogues of three series – page 524
Abstract: Within the framework of a simple molecular thermodynamic model, the problems of comparing the equations of state and the choice of analogues in three sets are analyzed: equations based on the model of interacting point centers, van der Waals type equations, and Martin equations obtained on the basis of translation by volume.
Keywords: simple equations of state, cubic equation, model of interacting point centers, volume translation, control parameters, choice of optimal equations of state.

Polukhin V.A., Kurbanova E.D., Belyakova R.M., Rigmant L.K.
The effect of hydrogenation on the processes of structuring and vitrification of suppercooled melts – page 535
Abstract: There have been considered the characteristics and structure forming of amorphous and nanocrystalline binary and ternary alloys based on Pd, as well as high-entropy Zr − Cu (Ni, Ti) compositions based on binary Ni − Ti, Ni − V and ternary Zr − Cu − Ti systems, which are difficult to manufacture, however, can significantly improve the economic efficiency of the processes of separation, purification of hydrogen and its safe storage. The analysis of the formation specificities of stable functional structures of membrane amorphous and nanocrystalline alloys in depending on their ability to hydride formation was also carried out.
Keywords: molecular dynamics, metallic glasses, vitrification, nanocrystalline alloys, transition metals, hydrogenation, clusters, short-range ordering, medium and long-range order.

Redel L.V., Gafner Yu.Ya., Gafner S.L.
Structural stability of small FCC – magic silver clusters for plasmonic applications – page 542
Abstract: One of the new applications of silver nanoparticles is their use in plasmon applications, which are determined by the strong interaction between the electromagnetic wave and free electrons in nanostructures. Particles of a metal with a size smaller than the wavelengths of visible light can strongly absorb light due to the phenomenon of surface plasmon resonance, due to the collective oscillation of conduction electrons. The frequency and intensity of the plasmon resonance depends on the distribution of the polarization charge in the nanostructure, which, in turn, is determined by the shape and structure of the nanoparticle. Thus, control of the structure of the metallic nanostructure allows you to control the wavelengths of light that it dissipates and absorbs.
Keywords: nanoclusters, silver, structure, computer simulation, tight-binding.

Savenko V.I., Samkanashvili D.G.
Nanoscale diagnostics of the «chicken wire» structure on the electron image of microchannel plates exposed to photoelectron scrubbing – page 550
Abstract: This paper presents the results of investigation of experimental prototypes of microchannel plates after photoelectron scrubbing. In the case of photoelectron scrubbing microchannel plate parameters are influenced mainly by the electron processing. The UV light influence on microchannel plate performance is insignificant when there is no voltage supply. Nano-scale contamination which exists in small amounts at some multi-boundaries is cleaned off when exposed to the input current.
Keywords: microchannel plate, photoelectron scrubbing, UV radiation.

Savenko V.I.
Effect of electronic irradiation on properties, composition of lead-silicate glasses and coefficient of secondary electron emission on their surface – page 557
Abstract: The paper discusses the effectiveness of methods for degassing surfaces of lead-silicate glasses by electron irradiation (treatment) in order to increase the efficiency of secondary electron emission. Changes in the properties and composition of the processed materials as a result of additional effects (heat treatment, reactions with ethyl alcohol, etc.) are revealed. Chemical compounds and elements formed as a result of impacts on the surface of lead-silicate glasses are described. The effect of sample storage on a further change in the secondary electron emission coefficient was studied.
Keywords: electron irradiation, electron processing, lead-silicate glass, processed surface of lead-silicate glasses, secondary electron emission, amplification.

Sverdlik G.I., Ataeva A.Y., Kambolov D.A., Ataev A.R.
Classification and selection of barbage equipment for collecting dust nanoparticles – page 566
Abstract: А classification of bubblers according to a constructive feature has been developed on the basis of literature analysis and patent search. A comparison of different types of bubblers has been performed according their ability to effectively capture small particles, including nanoparticles. For this purpose it is recommended to use a jet bubbler developed in the North Caucasian Institute of Mining and Metallurgy (State Technological University) on the basis of the patented distribution cup cap plate.
Keywords: gas emissions, nanoparticles, bubbler classification, jet bubbler, foam regime, experimental installation.

Sdobnyakov N.Yu., Samsonov V.M., Bazulev A.N.
Size of metal nanoparticles as a factor of their stability – page 576
Abstract: Using available experimental data on evaporation rates for metal nanoparticles and shrinkage rates for vacancy pores, evaluations have been performed of the particle size ranges where the linear dependence σ = Kr between the surface tension σ and the particle radius r. The reliability intervals have been found for the proportionality coefficient K. The results obtained are compared to evaluations by E.N. Vitol (1992). On the bases of the results of these evaluations a conclusion has been confirmed that a thermodynamic stability condition obtained before is fulfilled for nanoparticles of all metals considered in the paper.
Keywords: metal nanoparticles, Rusanov’s formula, stability, evaporation of nanoparticles, shrinkage of vacancy pores.

Sidorov N.V., Shuvalova A.M., Teplyakova N.A., Palatnikov M.N.
Particularities of the structure and photoelectric fields of LiNbO3 : Zn crystals – page 584
Abstract: Values of intensities of photovoltaic and diffusion fields were determined in congruent LiNbO3 crystals both nominally pure and doped by zinc due to parameters of a photoinduced light scattering. A change in electro-optical properties of LiNbO3 : Zn crystals at an increase in the zinc concentration to a threshold value was shown to be determined by particularities of oxygen octahedra deformations and an order of cation sublattice structure units along the polar axis.
Keywords: single crystal, lithium niobate, doping, photoinduced light scattering, photorefractive effect, photovoltaic field, diffusion field.

SimakovV.V., SinevI.V., OsykoI.D., ShcherbakovaE.A., GrebennikovA.I.
I-V characteristics of gas sensors based on tin dioxide thin films in wet air at room temperature – page 591
Abstract: In this work cyclical I−V characteristics of a gas sensor based on tin dioxide thin films in wet air at room temperature has been studied. It was demonstrated that cyclical voltage variation leads to redox reactions on the surface of the gas sensor active layer. Redox reaction potential does not depend on the gas concentration in an analyzed gas probe. Therefore, the redox potential can be used as an identifying agent.
Keywords: I−V characteristics, gas sensors, thin films, tin dioxide, room temperature, gas mixture identification.

SkachkovV.М., PasechnikL.А., Skachkova О.V., YatsenkoS.P.
Diffuzionno-hardening solders based alloy gallium-indium-tin and powder of metal PCTSP5 reinforced with titanium – page 600
Abstract: The paper considers a new composition of diffusion-hardening solder based on a low-melting gallium alloy and copper-tin spherical powder (PCTSP5). The influence of the powder filler – titanium composition on the structure and properties of solder for expanding the areas of use is investigated. Strength properties, microstructure, thermal stability of the samples were studied.
Keywords: metal powder, composite diffusion-hardening alloys, solders, structure, properties, microhardness, differential thermal analysis.

StarodubO.R., VoskresenskijV.M., SidorovN.V., PalatnikovM.N.
Mathematical simulation of cluster formation in lithium niobate crystals with introduction of the impurity ion – page 609
Abstract: Processes of clustering in a lithium niobate crystal (LiNbO3) were studied. It is shown that the cluster with the ratio Li / Nb ≈ 0,945, which is close to the ratio of lithium to niobium in a congruent crystal, is the most energy-efficient cluster. It was found that because of the loss of electroneutrality, a cluster of stoichiometric composition can not exist. It is established that there is an optimal relationship between the energy of the cluster, its size and the Li / Nb ratio.
Keywords: lithium niobate, modeling, clusters, vacancy models, sublattice defects, single crystals, ferroelectrics.

TalyzinI.V., SamsonovM.V., VasilyevS.A., PushkarM.Yu., DronnikovV.V., SamsonovV.M.
Molecular dynamics research of size dependence of the melting temperature of silicon nanoparticles – page 618
Abstract: Size dependence of the melting temperature of Si nanoparticles has been investigated combining molecular dynamics and thermodynamic simulations. The results of the atomistic simulation obtained using the Stillinger-Weber potential agree with the results of other authors and with the thermodynamic simulation results based on Thomson’s formula. These results predict that the melting temperature Tm of Si nanoparticles diminishes with increasing their reciprocal radius R-1 following to the linear law. The available experimental data predict much lower values of Tm, including underestimated values of the limiting value Tm(∞) found by means of the linear extrapolation of experimental dots to R-1 → 0 (i.e. to the particle radius R → ∞), and the underestimation of Tm(∞) ranges from 200 to 300 K in comparison with the melting point 1688 K of the bulk crystalline Si. Taking into account the obtained results and their comparison with available results of other authors, a conclusion is made that molecular dynamics results, obtained by using the Stillinger-Weber potential, should be more adequate than the available experimental data on the melting temperature of Si nanoparticles.
Keywords: silicon nanoparticles, melting temperature, size dependence, molecular dynamics, thermodtynamics.

Teplyakova N.A., Sidorov N.V., Palatnikov M.N.
Defective structure and photorefractive properties of double doped crystals LiNbO3 : Fe : Mg and LiNbO3 : Fe : Zn – page 628
Abstract: A comparative analysis of photorefractive properties was carried out for congruent, stoichiometric and double doped lithium niobate crystals: LiNbO3 : Fe(0,009) : Mg(5,04) and LiNbO3 : Fe(0,02) : Zn(4,34) mol %. These crystals are different in defect types, which are responsible for the effect of photorefraction. Band gap was shown to be minimal for double-doped crystals, photorefractive effect to be the same as for stoichiometric crystals, and photoinduced light scattering was not observed.
Keywords: single crystal, lithium niobate, doping, photoinduced light scattering, photorefractive effect, band gap.

Uglev N.P., Zamorin I.N., Uglev S.N., Smirnov S.A., Selivanov A.M.
Distribution of components of jewelry alloy in the bulk of metal castings – page 636
Abstract: The process is investigated of stratification of a quaternary jewelry alloy within the height of a vertical metal crucible. The concentration distribution of the alloy components near the surface of castings, as well as the features of the structure formation of the solid alloy is studied. It is shown that the distribution of metals in the volume generally corresponds to known data for other metallic melts. A direct correlation of the microhardness to the alloy composition is revealed.
Keywords: multicomponent metal melt, stratification, distribution of components, microhardness, long-range order, swarm of clusters, superfluidity.

Khubolov B.M., Podlinov V.P., Bagov A.M.
Study of materials for electrochromic devices: physical and chemical methods – page 646
Abstract: The methods of producing and investigation of electro-chromically-sensitive thin films of tungsten oxide bronzes have been considered in peer-review. The researches allowing one to make deductions on the particular models of the physical process laying in the basis of the electrochrome effect have been described in detail. The most important problems of the further studies on the complex oxides of the transition metals for obtaining applied results capable to start the highly effective technology of the electrochrome devises have been formulated.
Keywords: electrochromism, oxide potassium-tungsten bronze, thin films, spectral characteristics, single crystals, electrovacuum deposition, technological parameters of deposition.

Khubolov B.M., Podlinov V.P., Bagov A.M.
Optical characteristics of thin films of potassium-tungsten bronzes – page 656
Abstract: The spectral dependences of the optical density of thin amorphous film of oxide potassium-tungsten bronze of hexagonal structure and composition K0,3WO3 have been measured. The central problems of interpreting of optical spectra of oxide tungsten bronzes have been postulated.
Keywords: tungsten-potassium oxide bronze, thin films, spectral characteristics, discrete evaporation, absorption centers.

Shepelevich V.G.
Grain structure of bismuth-tin alloys, additional doping with indium – page 665
Abstract: Results of investigation of the grain structure of bismuth-tin additionally doped with indium are presented. The foils have microcrystalline structure. Average sizes of bismuth ones were less than 2 μm and of tin ones were of 3 μm. The bright (10 1 2) textures of bismuth and (100) of tin are formed in the foils.
Keywords: high speed crystallization, foil, grain, grain boundary specific surface, tin, bismuth, indium.

ShermetovA.Kh., ShokarovA.A., PonezhevM.Kh., SozaevA.V., KaramurzovB.S.
Wetting of aluminum and copper substrates by lead – nickel melt – page 671
Abstract: In this paper, the task of obtaining new solders for brazing nickel and its alloys. Polyterms of wetting angle for Pb − Ni melts in the range from the melting point to 940 K on copper substrates and up to 900 K on aluminum were studied and wetting thresholds were detected: wetting of copper substrates starts at 640 K, and aluminum substrates are not wetted by the abovemelts.
Keywords: wetting angle, aluminum, nickel, copper, temperature of wetting threshold.

ShomakhovZ.V., ShomakhovaR.A., MolokanovO.A., KarmokovA.M.
Diffusion of potassium ions and electrical conductivity in glass for electronic optics – page 677
Abstract: The results of a study of the electrical conductivity and diffusion of potassium ions in borate-barium glass (C785)  2,2% SiO2  57,8% B2O3  8,2% K2O  19,0% BaO  3,5% CaO  8,8% Al2O3  0,5% MgO with the passage of electric current through the sample. The time dependences of self-diffusion coefficients are calculated for the transmission of an electric current at a constant temperature.
Keywords: electrical conductivity, ion diffusion, borate-barium glass, isothermal annealing.

ShcherbakovaV.B., SadovskayaL.Yu., LogvinovichA.S., SviridovaТ.V., SviridovD.V.
Photo-accumulating composite materials based on heteropolymolybdates – page 683
Abstract: It was shown that modifying titanium dioxide particles with ammonium 6-molybdoferrate (II) and ammonium 6-molybdonickelate (II) gives the photocatalyst the ability to accumulate a photogenerated charge and maintain oxidative activity for some time after ultraviolet irradiation. In this case, heteropolymolybdates not only ensure the accumulation of a photoinduced cathodic charge, but also the conversion of hydrogen peroxide, formed during the oxidation of reduced forms of heteropolymolybdates with air oxygen, to highly active hydroxyl radicals.
Keywords: nanodispersed titanium dioxide, photochemistry, polycondensation of oxoacids of transition metals, ultraviolet radiation, heteropolymolybdates.

Yurov V.M., Guchenko S.A., Laurinas V.Ch.
Thickness of the surface layer, surface energy and atomic volume of the element – page 691
Abstract: The thickness of the surface layer of an atomically pure metal, which turned out to be equal to 5-6 nm, was calculated in this work. It is shown that the thickness of the surface layer is determined by one parameter – the atomic volume of a chemical element. A simple relationship between the surface energy of a metal and its melting point is obtained. All the relationships obtained are in good agreement with the experimental data.
Keywords: surface layer, nanostructure, surface energy, atomic volume, size effect.

Межвузовский сборник научных трудов «Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов». Выпуск 9. Обложка

Simulation of interaction process in the system STM probe – sample with a complex relief: recommendations on the standard technological mode – page 6
A.S. Antonov, D.N. Sokolov, N.Yu. Sdobnyakov, A.Yu. Kolosov, V.S. Myasnichenko, V.I. Romanovskiy
Abstract: Using the Gupta many body potential and the Monte Carlo method, simulation of interaction in the probe (copper) – sample (gold) system with thermal expansion, depending on the distance between them has been carried out for two types of relief: «wave» type and «grain» type. It is established that the thermal expansion of the tip of the probe can reach values comparable to the width of the tunnel gap, and possibly the occurrence of an avalanche process of thermal expansion of the tip, leading to the formation of a contact between the tip of the probe and the surface of the sample. The recommendations on the standard technological mode of the scanning tunneling microscope have been formulated.
Keywords: Monte-Carlo method, Gupta potential, scanning tunneling microscopy, probe-sample contact.

Research of morphology of the relief of copper films on the mica surface – page 19
A.S. Antonov, N.Yu. Sdobnyakov, D.V. Ivanov, K.B. Podbolotov
Abstract: A scanning tunneling microscope has examined morphology of the relief of copper films obtained by thermal vacuum deposition on the surface of mica. The characteristic features of the nanorelief of the film surface, including fractal properties, are described.
Keywords: scanning tunneling microscopy, nanorelief, fractal dimension, copper films.

Influence of polarization of metallic ions of a transition layer on the metal – nonpolar organic liquid boundary on the interfacial energy – page 27
A.M. Apekov, I.G. Shebzukhova
Abstract: Within the frames of a modified version of the electronic statistical theory, an amendment to the interfacial energy at the metal-nonpolar organic liquid interface on the polarization of metal ions of the transition layer in the field of a semi-infinite metal is obtained. An effect of the correction on the macroscopic dielectric permeability of the liquid and orientation of the metallic crystal is established.
Keywords: polarization correction, interfacial energy, electron-statistical method, alkali metals, nonpolar organic liquid.

Surface energy of thin films of tantalum and niobium with the monoaxies deformation – page 32
L.P. Aref`eva, I.G. Shebzukhova
Abstract: Dependence of the surface energy of metal thin films on the monoaxies deformation of compression and stretching has been qualitatively described. Calculations made for films of tantalum and niobium by modified electron-statistical method. The influence of deformation on the electron density of the system and the Gibbs coordinate has been demonstrated. A weak nonlinear change of the surface energy with the monoaxies deformation has been determined.
Keywords: surface energy, thin films, monoaxies deformation, tantalum, niobium, modified electron-statistical method.

Interfacial energy of uranium-metal melt boundary – page 38
L.P. Aref`eva, I.G. Shebzukhova
Abstract: The interfacial energy of uranium boundary with alkali and alkaline-earth metals has been estimated by the electron-statistical method. It has been shown that alkali and alkaline-earth metals are strong surfactants relative to uranium. Formulas for polarization correction, external and temperature terms, have been obtained which take into account change of density at the contact boundary. The temperature contribution in the interfacial energy of crystal faces of three allotropic modification of uranium has been estimated. The influence of s-metal melts on the profile of electron density has been analysed.
Keywords: interfacial energy, uranium, alkali metals, alkaline-earth metals, melt, actinides, allotropic phases.

Diffusional interaction and phase formation in nickel–aluminum films – page 45
S.N. Akhkubekova, V.K. Kumykov, M.Z. Laipanov, A.R. Manukyants, V.A. Sozaev, B.M. Khubolov
Abstract: In the present paper bimetal nickel –aluminum films are obtained in vacuum by method of the contact melting at temperature 650°C. The eutectic formations which appear on the surfaces of the films due to diffusion are detected by method of the raster-type electron microscopy.
Keywords: Contact melting, intermetallics, phase formation, eutectic.

Calculation of the state equation and the isobaric size dependencies of molybdenum nanocrystal – page 49
E.N. Akhmedov
Abstract: On the basis of the RP-model the equation of state of the bcc-molybdenum nanocrystal has been calculated that accounts its size and shape. It is shown that the isobaric size dependencies of the Debye temperature and the first Grüneisen parameter increase with increasing temperature. The surface energy isotherms for macrocrystal and nanocrystal intersect. In a particular area the surface energy of nanocrystal becomes higher than that of macrocrystal.
Keywords: equation of state, nanocrystal, molybdenum, size, shape.

Study of the distribution of somonomers in virtually synthesized block-pvkl-pvkl-pvi-copolymers – page 57
P.O. Baburkin, A.V. Lebedev, P.V. Komarov
Abstract: In this publication the results are presented of an analysis of statistical properties of the distribution of monomer units in copolymer chains synthesized in silico based on vinylcaprolactam and vinylimidazole. Such polymer chains demonstrate one of the basic properties of protein molecules, and exactly, they are able under conditions of a «bad» solvent (for vinylcaprolactam blocks) to take a dense globular structure with a hydrophobic core surrounded by a hydrophilic «corona». Despite the external similarity of the morphology of globules with protein-like copolymers, the distribution of comonomers attached to the first hydrophobic block has a random character.
Keywords: Coarse-grained computer simulation, amphiphilic copolymers, protein-like polymers, enzyme.

Modeling of CuAu nanoparticle formation during the gas phase synthesis – page 64
V.S. Baidyshev, V.А. Tsura, I.V. Chepkasov
Abstract: In this work computer simulation of the cluster condensation from a high-temperature gas phase containing pairs of copper and gold atoms was carried out by the molecular dynamics method. The average growth rates of clusters and the stoichiometric composition of the emerging particles are determined. It is shown that for particles with diameter of 3 nm or more the molar composition tends to Cu0,75Au0,25.
Keywords: computer simulation, molecular dynamics, condensation, CuAu nanoalloy.

The structure of body after manufacturing selective laser melting of iron powder – page 71
B.K. Barakhtin, A.S. Zhukov, M.V. Staritsin, N.A. Vershinina
Abstract: The structure investigation results of selective laser melting (SLM) samples of iron powders are presented. The size of a volume was determined, where crystallographic face germs have been formed via condensation from metals vapors. Nanofaces formed during the crystallization contribute to the SLM material stability.
Keywords: selective laser melting, metal powder, nanophase.

Molecular dynamics and thermodynamic simulations of segregation phenomena in binary Au-Ag nanoparticles – page 81
A.G. Bembel
Abstract: A complex approach combining atomistic molecular dynamics (MD) and thermodynamic simulations was applied to predict segregation in binary Au-Ag nanoparticles consisting of 2000 atoms (of about 4 nm in size). Both approaches predict the surface segregation of Ag to the surface of Au-Ag nanoalloys. Besides, Au-Ag nanoparticles demonstrated an onion like structure with an outer Ag monolayer. The results of MD and thermodynamic simulations agree with the available experimental data.
Keywords: Au-Ag nanoparticles, surface segregation, molecular dynamics, thermodynamic simulation.

Field desorption of sesium atoms from nanostructured rhenium surface – page 89
D.P. Bernatskii, V.G. Pavlov
Abstract: Using method of the field desorption microscopy, desorption of cesium atoms from quasi-spherical surface of a rhenium microcrystal in the electric field has been investigated. The dependence of the desorbing electric field strength vs cesium coverage of the surface has been obtained. In the framework of the image force model for the field desorption, the heat of adsorption of cesium atoms in dependence on the surface concentration of cesium and the work function of the surface has been evaluated.
Keywords: field desorption microscopy, ion sources, field emitter, rhenium, alkaline metals.

The effect of calcium-containing reagents on Bayer leaching of bauxites – page 94
S.А. Bibanaeva, N.А. Sabirzyanov, V.N. Koryukov
Abstract: The results of the experimental study of the effect of calcium-containing reagents on the degree of leaching of Timanian deposit bauxites by a parallel method of Bayer sintering are presented. The phase composition of the interaction products is determined by the XPA and EDAX methods. The formation of calcium hydoxysilicate in red mud is found.
Keywords: alumina production, leaching, calcium oxide, calcium hydrosilicate.

The influence of fluoride ions on the strength properties of hydroxyapatite and based on it composite materials – page 99
E.A. Bogdanova, O.V. Skachkova, V.M. Skachkov, N.A. Sabirzyanov
Abstract: The article discusses the possibility of hardening of stoichiometric hydroxyapatite (HAP) obtained by deposition from a solution by means of the partial substitution of hydroxyl groups with fluorine ions and the introduction of reinforcement additive (10, 15, 20 wt.% CaF2). The peculiarities of chemical interaction of HAP with the reinforcement additive during thermal treatment have been revealed. The effect of the phase composition on the strength characteristics of investigated samples has been shown.
Keywords: hydroxyapatite, fluorine-substituted hydroxyapatite, composite biomaterials, microhardness.

Instrumental and methodological support of the non-standard researches of the magnetic nanodispersed oils – page 108
A.N. Bolotov, V.V. Novikov, O.O. Novikova
Abstract: In the present work we submit an equipment and research technique to study corrosive and tribotechnical properties of the nanodispersed media. The proposed equipment allows to examine the processes which are taking place at friction contact of magnetic oils and solid surface as well as to predict the working capacity of the real tribounits with innovative nanodispersed oils.
Keywords: nanodispersed magnetic media, magnetic liquids, corrosive properties of the magnetic, friction of magnetic oils.

Thermally induced switching in PIN-PMN-PT single crystals – page 114
N.N. Bolshakova, V.V. Ivanov, A.I. Ivanova, E.M. Semenova, A.D. Senkovskiy, A.S. Smirnov
Abstract: The results of investigation of thermally induced switching in PIN-PMN-PT single-crystal solid solutions are presented. It was found that samples have the stable unipolarity. The intensity of thermally induced crystal switching processes depends significantly on the direction of the polarizing field or the electric field applied to samples.
Keywords: Barkhausen thermal effect, switching processes, PIN-PMN-PT.

Molecular dynamic study of size dependences of melting and crystallization temperatures of platinum nanoclusters – page 121
S.A. Vasilyev, A.A. Romanov
Abstract: The melting and crystallization temperatures of platinum nanoclusters have been found by using results of molecular dynamics modeling, obtained employing two different computer programs and different interatomic interaction potentials. The size dependences found in computer experiments are compared with molecular dynamics data of other authors and with estimations of the melting temperature using Thomson’s formula.
Keywords: nanoclusters of platinum; molecular dynamics; tight-binding potential, embedded atom method, melting temperature, crystallization temperature.

Magnetooptical control of spatial magnetic field distribution in microelectromechanical systems – page 128
M.K. Virchenko, R.M. Eguzhokova, A.B. Zaletov, A.I. Ivanova
Abstract: A study is performed of the spatial distribution of magnetic field of a microelectromechanical systems (MEMS) with the aid of magneto-optical indicator ferrite garnet films (MOIF). In order to increase the accuracy and the dynamic range of measure a procedure was developed including the use of auxiliary external field resulting in a controlled shift of the zero-field lines. In this case the MOIF serves as a null-indicator eliminating the dependence of the measuring results on the specific transfer parameters (linearity characteristics). Imposition of biasing field provides a possibility of shifting the saturation threshold field of the MOIF either in the region of positive or negative values.
Keywords: magnetic measurements, magneto-optical effects, indicator films, microelectromechanical systems (MEMS), dynamic range of measurement.

Study of the possibility of diamond formation at moderate pressures and temperatures – page 133
S.А. Voropaev, N.V. Dushenko, A.S. Aronin, V.M. Shkinev, E.M. Galimov
Abstract: Data on the diamond synthesis in experiments with carbon-saturated metal melts at moderate pressures and temperatures are presented. Features of the resulting diamond phase, the types and nature of inclusions are discussed and compared with those for natural microdiamonds found at the volcanic rocks of Kamchatka.
Keywords: diamond, impurity, inclusions, volcanic, rock, catalysts.

Computer simulation of structure and dimensions of oxygen-octaadric clusters in lithium niobate crystal and the dynamics of their development with changes in composition – page 140
V.M. Voskresensky, O.R. Starodub, N.V. Sidorov, M.N. Palatnikov
Abstract: The peculiarities of formation of energetically equilibrium dipole oxygen-octahedral clusters in the structure of a ferroelectric crystal of lithium niobate (LiNbO3) have been studied by computer simulation. It is shown that there is an optimal relationship between the cluster energy, its size, and the Li / Nb ratio.
Keywords: lithium niobate, modeling, clusters, vacancy models, defects of sublattice.

Physico-chemical aspects of electrotransport of keplerate-type nanocluster polyoxoanions in native membranes – page 147
I.D. Gagarin, N.A. Kulesh, M.O. Tonkushina, D.A. Vlasov, A.A. Ostroushko
Abstract: Optimal mode of percutaneous electrotransport of keplerate-type nanocluster polyoxometallate in vitro experiments is chosen. A research method is developed, new experimental data on the layer-by-layer distribution of iron-molybdenum polyoxometallate in the skin are obtained using the X-ray fluorescent spectroscopy.
Keywords: nanocluster polyoxoanions, native membranes, percutaneous electrotransport, concentration-depth distribution.

Modelling of the L12 → FCC phase transition in Cu3Au nanoclusters – page 153
Yu.Ya. Gafner, S.L. Gafner, L.V. Redel, I.S. Zamulin
Abstract: Boundaries of thermal stability of the initial L12 phase in clusters of Cu3Au nano-alloy of up to 8 nm in size were investigated by molecular dynamics method using a modified tight-binding potential TB-SMA. It is shown that under the influence of the temperature factor FCC  structure in Cu3Au clusters is possible i.e. a structural transition L12 → FCC. It is concluded that, unlike macroscopic bodies this transition in nanoparticles occupies a wide temperature range.
Keywords: nanoalloy, structure, computer simulation, tight-binding potential.

Photo-catalysts on the basis of quasi-unidimensional state of cobalt and copper activated – page 160
O.I. Gyrdasova1, I.V. Baklanova1, E.V. Shalaeva1, M.A. Melkozerova1, L.Yu. Buldakova1, N.S. Sycheva1,2
Abstract:  Zn1-xMxO (0 ≤ x ≤ 0,1) solid solutions with tubular morphology of aggregates and Zn1-xMxO1-yC: nMO (0,1 ≤ x ≤ 0,3) composites were obtained using formate-glycolate complexes Zn1-xMx(HCOO)(OCH2CH2O)1/2  (M = Co, Cu; 0 ≤ x ≤ 0,3). The materials are tested in the oxidation of 1,4-dihydroxybenzene under the action of visible radiation. It is established that copper in Zn1-xMxO (0 ≤ x ≤ 0,1) is more effective than cobalt. Its presence in composites leads to a decrease of the photocatalytic activity.
Keywords: Zinc oxide, nanostructures, synthesis, precursors, morphology, microstructure, defects of structure, dynamics of electron excitations, photocatalysts.

Magnetic properties of sintered heterogeneous compositions based on alloys of 3d- and 4f- transition metals – page 169
O.B. Dyogteva, Е.М. Semenova, М.B. Lyakhova, Yu.V. Kuznetsova
Abstract: The paper presents the results of investigation of the magnetization reversal processes of sintered powder compositions based on micropowders of Nd2Fe14B and Sm(Co0,6Cu0,4)6,0 alloys. Samples were obtained in a high-coercivity state. It is shown that an increase in the volume content of Nd2Fe14B in the composition of the samples under study leads to an increase in the saturation magnetization and to a significant decrease in the coercive force.
Keywords: magnetic properties, heterogeneous state, rare earth intermetallics, coercivity.

Temperature dependence of angles of wetting of porous nickel by Pb-0,49 atomic percent % Na melt – page 177
K.M. Elekoeva, Y.N. Kasumov, A.R. Manukyants, M.Kh. Ponegev, V.A. Sozaev, A.Kh. Shermetov
Abstract: Polyterms of angles of wetting of porous nickel and nickel of brand НП-2 by  atomic percent  melt are investigated. Thresholds of wetting, which are bound with oxides on the surface of drops and nickel are detected. It is found, that temperature at which the threshold of wetting at porous nickel is observed by ° below than at nickel of brand НП-2.
Keywords: wetting, temperature dependence, porous nickel.

Formation of fases at the boundary of the double-layer copper-aluminium film – page 182
K.M. Elekoeva, P.K. Korotkov, M.Z. Laipanov, A.R. Manukyants, V.A. Sozaev, B.M. Khubolov
Abstract: Outcomes of formation of phases are reduced at the contact melting of recordings of aluminium with copper. With the help of a raster electronic, atomic – force microscopy and X-ray analysis the eutecticum and intermetallic AlCu4 phases are detected.
Keywords: phase forming, contact melting, intermetallides.

Local environment of cations in double shellites Li(Na)Bi(MoO4)2 by NMR data and quantum-chemical calculations – page 189
N.A. Zhuravlev, D.V. Suetin, I.R. Shein, A.V. Skachkov, A.A. Savina, T.S. Spiridonova, A.L. Buzlukov, T.A. Denisova
Abstract: The electronic structure was calculated by the first-principle methods of quantum chemistry and the parameters of the electric field gradient near the 7Li nuclei of the double molybdate LiBi(MoO4)2 were determined. Analysis of the NMR spectra revealed that the states of the 7Li nuclei in LiBi(MoO4)2 in the cation sublattice do not differ, whereas in the NaBi(MoO4)2, the Na atoms in Bi positions have different populations and electric field characteristics.
Keywords: LiBi(MoO4)2, NaBi(MoO4)2, scheelite structure, electronic structure, quantum chemical calculations, NMR 7Li , 23Na , parameters of EFG.

Properties evaluation of mesoporous silica nanopowders doped with manganese dioxide produced by a pulsed electron beam evaporation for biomedical applications – page 199
O.A. Zlygosteva, S.Yu. Sokovnin, V.G. Il’ves
Abstract: The researched manganese-doped mesoporous silica nanopowder (NP) SiO2 – MnO2 with different dopant concentrations has been carried out by a physical method of the electron beam evaporation in vacuum on NANOBIM-2 installation. Basic analyses of NP demonstrate high porosity and ferromagnetic properties. Cytotoxicity experiments on cells showed that NP exerted low toxicity. The loading experiments using a spectrophotometer demonstrate interaction of the Amoxicillin drug with the surface of NP.
Keywords: mesoporous silica nanopowders doped with manganese dioxide, active targeted drug delivery.

Electrostriction mechanism of light induced lens response in nanosuspension – page 205
V.I. Ivanov, A.V. Myagotin, G.D. Ivanova
Abstract: A theoretical analysis of the light induced mass transfer in a dispersive liquid is carried out for large intensities of radiation in the field of Gaussian beam. The non-linear lens exponentially increases with the intensity of light, when the change in concentration is greater or comparable to the primary value. It is shown that the light induced response is limited by the Raleigh scattering for the case of high concentrations of nanoparticles.
Keywords: self-action radiation, electrostriction, nanosuspension.

Influence of the surface nanotopography on the electrical resistance of a discrete contact of solids – page 210
V.V. Izmailov, M.V. Novoselova
Abstract: An influence of micro- and nanoscale deviations of real surfaces of engineering devices from ideal form on the electrical resistance of a discrete contact of solids has been considered. It is shown that the influence of the nanoroughness on the value of the contact electrical resistance is minor both in contact of nominally flat surfaces and in local contact of a ball and the plane.
Keywords: surface, microroughness, nanoroughness, contact, contact electrical resistance.

Properties of mesoporous amorphous-nanocrystalline Gd2O3 – SiO2 powders prepared by pulsed electron beam evaporation – page 217
V.G. Ilves, S.Yu. Sokovnin, A.M. Murzakayev, T.M. Demina
Abstract: Mesoporous amorphous-nanocrystalline powders Gd2O3 – SiO2 (the specific surface area up to 177 m2/g, particle size less than 10 nm and large pore volume up to 1,19 cm3/g) were obtained by pulsed electron beam evaporation. Porous Gd2O3 – SiO2 nanoparticles are promising as nanocontainers for the drug delivery to cancer cells and contrast agents for the magnetic resonance imaging. Besides, they can used in catalysis and in other fields of nanotechnology.
Keywords: pulsed electron beam, mesoporous amorphous-nanocrystalline powders Gd2O3 – SiO2.

Experimental and theoretical substantiations of stepwise mechanism of crystal formation from liquid phase – page 223
B.I. Kidyarov, A.S. Stoporev, A.Yu. Manakov
Abstract: This article reviews studies of the sequence of phase transitions of the «liquid – solid» and «solid – solid» type, including formation of intermediate phases (Ostwald’s rule of stages). It is emphasized that such transformations also take place in a nanoscale state with the formation of nano-nuclei of high-pressure phases. Experimental data on the kinetics of the nanoscale stage of gas hydrates nucleation in water-in-oil emulsions, pointing to the stepwise mechanism of the process, are discussed for the first time.
Keywords: nano-nuclei, phase transitions of the «liquid – solid» and «solid – solid» type, Ostwald’s rule of stages.

Temperature and concentration dependence of effective potentials of Na+ and Cl ions in aqueous solution – page 230
A.P. Klinov, E.A. Zubova, M.A. Mazo
Abstract: We have derived effective potentials of Na+ and Cl ions in implicit water at temperatures from 273 to 340 K and concentrations between 0,3 and 1 M. We divide the potentials into two parts: slowly decreasing Coulomb function and solvation energy. The primary dependence of the effective potentials on the parameters proved to be in the dependence on them of the dielectric constant. Slight temperature dependence of the solvation is present for the pairs Na+ – Naand Na– Cl only.
Keywords: effective ion potentials, coarse-grained model, temperature dependence, concentration dependence.

Formation of MAX-phases by electronically-ion-plasma methods – page 236
A.A. Klopotov, Yu.F. Ivanov, A.D. Teresov, E.S. Marchenko, V.D. Klopotov
Abstract: The results of structural studies of the formation of MAX-phases on the surface of titanium alloys synthesized as a result of combined treatment combining the electric explosive alloying and irradiation with a high-intensity pulsed electron beam are presented.
Keywords: MAXphase, state diagram, triple layered compounds, electric explosive alloying, high-intensity pulsed electron beam.

Effect of charge transfer in semiconductor films NaAuy on its emission properties – page 245
M.V. Knatko, M.N. Lapushkin
Abstract: The dependence of the current of sodium ions in an external electric field from the surface of gold coated with a NaAuy film on time of its exposure in electric field of high intensity was studied. A model is proposed that relates kinetics of the ion current recovery after a change in the electric field intensity with the redistribution of positive and negative charges in the bulk NaAuy under the action of an external electric charge.
Keywords: adsorption, alkali metals, gold, intermetallic, thermal desorption of atoms and ions, surface ionization.

The investigation of the influence of point defects on the thermodynamic and structural properties of nanocompacted cobalt and copper – page 252
A.Yu. Kolosov, D.N. Sokolov, V.S. Myasnichenko, N.Yu. Sdobnyakov, P.M. Ershov, A.A. Khort
Abstract: To study the effect of volume and surface defects on the thermodynamic and structural characteristics of nanoclusters of cobalt and copper, the Monte Carlo method was applied. The interaction between atoms was described by the many-body Gupta potential. It is determined that in simulation of thermal exposed metallic nanoparticles with point defects there are insignificant deviations of their structural characteristics from values corresponding to non-defect nanoparticles.
Keywords: metal nanoparticles, Monte Carlo method, Gupta potential, volume and surface defects.

The internal rotation in 1,1,1-trifluorinealkanes – page 258
A.V. Kotomkin, N.P. Rusakova, V.V. Turovtsev, Yu.D. Orlov
Abstract: 14 potential functions V(φ) of the internal rotations around the C – C bonds in molecules of 1,1,1-trifluorine alkanes CF3 – (CH2)n – CH3, where 1 ≤ n ≤ 4, were obtained and approximated by Fourier series. The local minima of V(φ) and transition states (TS) have been studied for all examined compounds. A comparison of the rotation characteristics of studied molecules those of same in n-alkanes and 1-monofluorine alkanes was performed. The transferability of rotation parameters around C – C bonds has been showed.
Keywords: 1,1,1-trifluorine alkanes, potential function, conformational analysis, internal rotation.

Influence of tricalcium phosphate phase on the strength of hydroxyapatite foam ceramics in the thermal annealing process – page 264
V.K. Krut’ko, A.I. Kulak, O.N. Musskaya, T.V. Safronova
Abstract: The presence of the tricalcium phosphate phase in hydroxyapatite foam ceramics after annealing at 1200°C during 3 h leads to a certain decrease in porosity from 45% to 27 – 38%, to an increase in the degree of resorption and to a significant decrease in the static strength from 3 – 7 to 0,2 – 0,4 MPa.
Keywords: hydroxyapatite foam ceramics, tricalcium phosphate, polyurethane foam, polyvinyl alcohol.

Electron-stimulated desorption of lithium atoms from oxidized tungsten – page 271
Yu.A. Kuznetsov, M.N. Lapushkin
Abstract: We have studied the processes of electron-stimulated desorption (ESD) of neutral lithium atoms from oxidized tungsten. A model has been suggested of the ESD processes from an oxidized tungsten surface. It has been shown the community and the difference of the ESD processes for high-energy and low-energy peaks in the atomic energy distributions.
Keywords: electron-stimulated desorption, adsorption, alkali metals.

Microtribological properties of metal-matrix nanocomposites based on the layered oxides which behave as the nanocontainers – page 278
A.S. Logvinovich, T.V. Sviridova, D.V. Sviridov, A.V. Kaparikha
Abstract: The paper demonstrates the possibility of electrochemical synthesis of nickel-based metal-matrix composites doped with dispersed molybdenum oxide phase, which is capable to play a role of container of corrosion inhibitor that have a significant effect on the micro- and macrotribological properties.
Keywords: atomic-force microscopy, microtribology, metal-matrix composites, molybdenum trioxide, galvanic nickel coatings, benzotriazole, container systems.

Analysis of the spd method for determining anisotropy fields of ferromagnetic polycrystals – page 283
М.B. Lyakhova, O.V. Zhdаnova, Е.М. Semenova, Yu.G. Pastushenkov, D.Yu. Karpenkov, A.Yu  Karpenkov, M.V. Filimonov
Abstract: The simulation results on the magnetization curves I(H) and the d2I(H)/dH2 dependences are presented. For this purpose models of rotation of the magnetization vector and the Néel model of magnetic phases were used. Recommendations for implementing the SPD-method for the anisotropy field determining for polycrystalline multidomain samples of ferromagnetic compounds with easy-axis MCA are proposed.
Keywords: SPD-method, magnetocrystalline anisotropy, anisotropy field, magnetization curve.

On the dependence of the phase diagram of a substitutional alloy on size and shape of a nanocrystal – page 291
M.N. Magomedov
Abstract: A method for calculating of solidus and liquidus temperatures for a disordered substitutional alloy is proposed. The method was tested on the SiGe alloy and it was obtained a good agreement with experimental data. It is shown that when the size of a nanocrystal of the solid substitution solution decreases, the difference between the liquidus and solidus temperatures decreases the more, the more noticeably of the nanocrystal shape is deflected from the most energetically optimal shape.
Keywords: substitution alloy, temperatures of solidus and liquidus, nanocrystal.

Surface properties of alkaline metals in the electric field in view of relaxation – page 301
A.R. Manukyants
Abstract: Influence of the surface relaxation on the surface energy of low-index faces of alkaline metals is considered. It is shown, that compression of interplane distances is observed on friable faces (111) in all cases, and either a stretching or absence of relaxation is observed on close-packed faces (110) for Li and K. Presence of a field strengthens the surface relaxation and changes the value of the surface energy.
Keywords: surface energy, relaxation, electronic work function.

Interactions of the phases containing calcium and aluminium as a part of red mud with ammonium hydrofluoride – page 307
I.S. Medyankina, L.A. Pasechnik, V.M. Skachkov, S.P. Yatsenko, V.G. Bamburov
Abstract: Fluorination processes of calcium, aluminum and iron phases in the composition of alumina production red mud using ammonium bifluoride to develop conditions of separation multicomponent materials and extract the valuable products have been considered in this paper. It is found that interaction of Al2O3 and 3CaO · Al2O3 · 6H2O as a part of red mud with ammonium hydrofluoride takes place the formation of ammonium fluoroaluminates and their decomposition to simple fluoride under the elevated temperatures. Calcium containing phases are the most active components and already at the initial moment of contacting the reaction mixture are decomposed with the fluorite CaF2 formation which in the presence of fluorine-containing aluminum compounds at a temperature above 400°C is a part of calcium cryolite CalAlF5. The research allows to justify the direction of sequential processes to separate phase components of red mud after their fluorination.
Keywords: red mud, bauxite residue, tricalcium aluminate, ammonium hydrofluoride, ammonium fluoromellate, industrial waste, fluorination.

Physical and chemical properties of cement based on calcium phosphate suspensions – page 317
O.N. Musskaya, V.K. Krut’ko, A.I. Kulak
Abstract: The effect of phase composition, concentration of calcium phosphates suspensions and polymer binder on the physicochemical properties of calcium phosphate cements is found. It has been established that the introduction of monetite and polymers (polyvinyl alcohol, polyethylene glycol) in the composition of calcium phosphate cements makes it possible to increase their static strength up to 7,1 MPa varying the setting time from 1 min to 1,5 h.
Keywords: calcium phosphate cement, tricalcium phosphate, hydroxyapatite, monetite, polyvinyl alcohol, polyethylene glycol.

Modeling of processes of structure formation in bimetallic nanoalloys of different composition – page 323
V.S. Myasnichenko, N.Yu. Sdobnyakov, A.Yu. Kolosov, D.N. Sokolov, V.V. Kulagin, A.A. Khort
Abstract: In this work the processes of an internal structure formation in copper-bearing nanoalloys of silver, cobalt and palladium were studied using molecular dynamics with a modified tight-binding potential. For each bimetallic system, five chemical compositions with different proportions of copper atoms were investigated. Non-structural clusters, obtained by melting the primary fcc nanoparticles, were then subjected to freezing procedure at room temperature with a fixed cooling rate. It is shown that upon cooling from the liquid superheated phase it is possible to form structural domains of different internal structure, including multiple nuclei of icosahedral symmetry. Some criteria for obtaining the ordered structure of the nano-melting core with a dense packing of atoms are determined.
Keywords: nanoalloys, molecular dynamics, tight-binding potential, structure formation.

Thermal stability of copper clusters with the size of 100 – 150 atoms – page 330
V.S. Myasnichenko, P.M. Ershov, N.Yu. Sdobnyakov, R. Mikhov, L. Kirilov
Abstract: In the framework of this paper we have studied the thermal stability of copper clusters in the range of 100 – 150 atoms. The size of the copper nanocluster is determined, which has the greatest thermal stability in the size range under consideration.
Keywords: molecular dynamics, tight-binding potential, copper nanoclusters, melting point, thermal stability.

AFM research of morphology of surface layer sapphire after plasma surface treatment – page 337
R.R. Nagaplezheva, M.M. Orakova, V.K. Luev
Abstract: An AFM study of the sapphire surface after plasma treatment was carried out. The AFM images of the sapphire surface in the initial state and after plasma treatment are obtained. It is established that after plasma treatment the arithmetic mean deviation of the surface profile increases and the surface becomes more homogeneous.
Keywords: plasma, scanning probe microscopy, atomic force microscopy, sapphire.

Investigation of mechanical properties of silicene In a central force field model – page 341
Y.E. Nagorny, D.N. Politaev
Abstract: Numerical simulation of mechanical behaviour of graphene and silicene are made in the central forces field model approximation. Dependences of Young’s modulus and Poisson’s ratio are obtained from the sample sizes. Comparison of results is carried out.
Keywords: central force field, graphene, silicene, Young’s modulus, Poisson’s ratio.

Interrelation between optical and radiation resistance of lithium niobate crystals of different chemical composition – page 347
M.N. Palatnikov, N.V. Sidorov, O.V. Makarova, D.V. Ivanenko, S.L. Panasyuk, E.R. Kurkamgulova, I.V. Yudin
Abstract: Optical characteristics of nominally pure and Mg2+, Zn2+, Gd3+, B3+  cations doped LiNbO3 crystals were investigated. The radiation resistance of β- and γ-  irradiated LiNbO3 : Zn crystals was studied. The features of the optical transmission of LiNbO3 : Zn crystals are determined in dependence on the type and dose of irradiation and the concentration of the doping additive.
Keywords: crystals, doping, lithium niobate, photorefractive effect, β- and γ- irradiation, optical and radiation resistance.

Structure and properties of lithium niobate ceramics produced from the batch of various genesis – page 356
M.N. Palatnikov, O.B. Shcherbina, S.M. Masloboeva, V.V. Efremov, D.V. Ivanenko,  S.V. Vladimirova
Abstract: The paper compares the structure, mechanical and electrical properties of ceramics obtained on the basis of highly disperse monophasic lithium niobate powders synthesized by various ways.
Keywords: lithium niobate, dispersity, ceramics, probe microscopy, impedance-spectroscopy, microhardness, Yong modulus, mechanical and electrophysical properties.

Criteria of thermodynamic similarity: sources and forecast at the molecular level – page 363
G.G. Petrik
Abstract: One more control factor of a new one-parameter family of equations has been added to a number of known thermodynamic similarity criteria. Its relation to the characteristics of the molecular level is established. The results obtained earlier at the atomic-molecular level of modeling objects and interactions make it possible to predict the values of a number of criteria on the basis of minimal information about molecules.
Keywords: model of interacting centers, similarity criteria, control factor, spherical shell model, object rigidity, critical compressibility factor, prediction of similarity criteria.

The strain mechanisms in the reinforced graphene layered and matrix composites. Experiment and simulation – page 375
V.A. Polukhin, E.D. Kurbanova
Abstract: In the present article the comparative analysis of results of MD simulation and experiments concerning properties of nanocomposites (metals/graphene, Me: Mg, Al, Cu, Ni, Ti) was carried out. The possibilities of improvement of structural and thermodynamic stability of the metal/graphene interface states, determining the strengthen characteristics of examined nanocomposites, were considered.
Keywords: graphene, metallic nanofilms, hybridization, sorption, interface, layered nanocomposite, reinforcement, thermostability, strain.

Computer analysis of the sensory properties of nanostructured SnO2 films. 1. Calculation of conductivity in gas sensors based on SnO2 nanoparticles – page 383
L.V. Redel, S.L. Gafner
Abstract: For modeling sensory properties, tin dioxide SnO2 was used as the working layer. The paper presented the main possible conduction mechanisms and their computer analysis. Based on the results obtained by using of the model with only one contact between two particles, we concluded that the reduction of the contact area between SnO2 particles less than 30 nm can significantly improve the sensor sensitivity to dangerous gases.
Keywords: semiconductor, computer modeling, nanocompacted material, gas sensor.

Computer analysis of the sensory properties of nanostructured SnO2 films. 2. The percolation approach to development of gas-sustainable sensors – page 390
L.V. Redel, S.L. Gafner
Abstract: We propose a model of a gas sensor developed on the basis of the nanocrystalline layers of SnO2. The basis of the model is the account of the real morphology of SnO2 nanolayers, and that some of the constituent nanoparticles may be in the non-conducting state even when the interaction with the reagent gas. It is shown that this probability determined by the diameter of nanoparticles and degree of their connection during sintering of nanocrystalline powder. It is expected that the inclusion of percolation effects can significantly increase the sensitivity of gas sensors based on SnO2 nanofilms. The percolation threshold corresponding to the critical concentration of gas to be detected can be controlled by means of the average particle size used and by degree of porosity of the film.
Keywords: semiconductor, computer modeling, nanocompacted material, gas sensor.

Computer analysis of the sensory properties of nanostructured SnOfilms. 3. Analysis of susceptibility of SnOsensor to carbon monoxide – page 397
L.V. Redel, S.L. Gafner
Abstract: In the presented work, the conductivity of a metal oxide film consisting of SnO2 nanoparticles interconnected due to the interaction of the detectable gas (CO ) with the surface of the semiconductor layer was investigated. Conditions under which the percolation effects is possible are found and their role in the sensitivity of the gas sensor under consideration. It was concluded that the percolation threshold can be controlled by means of parameters that can be directly controlled.
Keywords: semiconductor, computer modeling, nanocompacted material, gas sensor.

Synthesis of nanodispersed titanium dioxide via PH-controlled polymerization of titanium acid – page 404
L.Yu. Sadovskaja, T.V. Sviridova, D.V. Sviridov
Abstract: The possibility of synthesis of nanodispersed titania employing polycondensation of titanium acid under the pH control is discussed. The resultant spherical TiO2 nanopartcles exhibits extra high light-induced oxidation activity remaining for some time even after termination of UV illumination. The nanodispersed titania readily penetrate into the surface pores and can be used for deposition of photocatalytic coatings by the impregnation technique.
Keywords: nanodispersed titanium dioxide, photochemistry, polycondensation of oxoacids of transition metals, UV irradiation.

Combined application of atomistic and thermodynamic simulations to investigation of size dependence of the melting temperature of metal nanoparticles – page 411
V.M. Samsonov, I.V. Talyzin, S.A. Vasilyev, A.Yu. Kartoshkin
Abstract: An approach to simulation of the nanoparticle melting is discussed which combines thermodynamic and atomistic (molecular dynamics) simulation of objects under consideration. The approach has been applied to study the size dependence of the melting temperature of Ni and Ag nanoparticles. Exemplifying on the size dependence of the melting temperature, a conclusion is made that in spite of a number of disputable topics of both thermodynamic and atomistic simulations, combined application of both methods make it possible to obtain some more reliable results and to justify some conclusions on the reliability of available experimental data.
Keywords: thermodynamic simulation, atomistic simulation, size dependence of the melting temperature, nanoparticles Ni, nanoparticles Ag.

Effect of treatment of molten quartz surface on its wetting by germanium droplets – page 422
V.M. Samsonov, I.A. Kaplunov, A.M. Ivanov, I.V. Talyzin, S.A. Tretyakov
Abstract: We have measured equilibrium contact angles formed by germanium droplets on surfaces of molten quarts and some other surfaces prepared by using different variants of abrasion, polishing and, in some cases, etching. Using the optical interference method, a roughness coefficient of the relief profile was measured. It has been found that, in dependence of the way of treatment of the solid surface, the equilibrium contact angle varies in a wide enough range: from 147° to 164°. A conclusion has been made that for the system under consideration the Wentzel-Deryagin equation is not fulfilled.
Keywords: wetting, equilibrium contact angle, germanium droplet, surface of molten quarts, treatment of the solid surface, Wentzel-Deryagin equation.

Research of parameters of a foam in the jet regime bubbler – page 430
G.I. Sverdlik, A.S. Vickrebenets, R.N. Maxsimov, A.Y. Ataeva
Abstract: Advantages of the foam regime in bubbling apparatuses for the dust collection are considered, in which it is possible to capture a wide dimensional spectrum of pulverized materials, including nanoparticles not captured by other dust collectors. An experimental laboratory facility for studying parameters for obtaining a foam regime in a jet bubbler is described. A table of values of parameters of a foam mode and their interrelations are discussed.
Keywords: dust and gas emissions, jet regime bubbler, foam mode, experimental installation, collision of jets, variation of parameters.

Dielectric and photovoltaic properties of heterostructure SiC / Si – page 435
O.N. Sergeeva, A.V. Solnyshkin, S.I. Gudkov1, S.A. Kukushkin, I.P. Pronin, G.M. Nekrasova
Abstract: The paper presents the results of a study of dielectric and photovoltaic properties of heterostructures SiC / Si with different conductivity type of silicon substrates. The stationary photovoltaic responses of the structures were observed under electromagnetic radiation in the wavelength range from 400 – 980 nm. It is shown that the phase of photovoltaic responses depends on the capacitance jump in C – V characteristics. Possible mechanisms of the photovoltaic phenomena in heterostructures SiC / Si are discussed.
Keywords: SiC / Si  heterostructures, dilatation dipole, nanosized silicon carbide, photovoltaic response.

Research of photorefractive properties in lithium niobate crystals by raman and photoinduced light scatering – page 442
N.V. Sidorov, N.A. Teplyakova, M.N. Palatnikov
Abstract: In Raman spectra of LiNbO3 crystals with photorefractive response in Y(ZX)Y scattering geometry a significant widening was detected of the band with frequency 630 cm-1 4A1(TO) that corresponds to totally symmetrical vibrations of oxygen octahedra. Any analogous line widening was not observed in Y(ZZ)Y scattering geometry. Not only photorefractive effect but also degree of oxygen octahedra distortion contributes to the width of this band.
Keywords: single crystal, lithium niobate, doping, Raman spectroscopy, photoinduced light scattering, photorefraction.

Influence of water vapor and illumination on conductivity of tin dioxide thin films at room temperature – page 449
V.V. Simakov, I.V. Sinev, A.V. Smirnov, I.D. Osyko, A.I. Grebennikov
Abstract: Investigation results of water vapour and illumination influence on the conductivity of tin dioxide thin film based gas sensors are presented. According to literature it is known that water vapor has a donor effect on the conductivity of the tin dioxide (n-type semiconductor), i.e. its conductivity in the water vapor atmosphere increases. It was experimentally found that the presence of water vapor in the measuring chamber leads to an increase in the conductivity of the sensor (in the dark) or to a decrease in conductivity (when the active layer of the sensor is illuminated).
Keywords: gas sensors, thin films, tin dioxide, acceptor action of water vapor.

Composite solders on the basis of metal powders and gallium alloy – page 455
V.M. Skachkov, N.A. Shevyrev, L.A. Pasechnik, S.P. Yatsenko
Abstract: The article considers new structures of composite alloys based on gallium. The effect of composition of powder filler on the structure and properties of the solder to impart unique properties and expansion of applications. The strength properties, microstructure, and thermal stability of the original samples and derived products have been studied.
Keywords: metal powder, composite diffusion-hardening alloys, solders, structure, properties, microhardness, differential thermal analysis.

A mathemetical model of the charge accumulation and the spectrum formation in detectors on the basis of CdTe (CdZnTe) at the gamma-quanta irradiation – page 465
A.A. Smirnov, I.A. Kaplunov, A.A. Ol’nev, A.N. Nikiforova
Abstract: The features of spectrum formation in CdTe (CdZnTe) detectors under gamma quanta radiation are presented. The main characteristics of a semiconductor detector, i.e. the energy resolution and the registration efficiency, are determined. The results can be used as a basis for physical and mathematical models of operation of CdTe (CdZnTe) semiconductor detectors for registration of gamma- and x-ray radiation over a wide energy range.
Keywords: semiconductor detectors, cadmium telluride.

Corrosive properties of coatings based on Ti1-xAlxN – page 475
Т.О. Soshina
Abstract: Corrosion properties of coatings based on Ti1-xAlxN precipitated by pulsed magnetron sputtering were studied. The effect of phase composition, aluminum content in Ti0,40Al0,60N and Ti0,62Al0,38N coatings on their electrochemical characteristics obtained in 0,3% NaCl solution was established.
Keywords: pulsed magnetron sputtering, Ti1-xAlxN coating, elemental composition, phase composition, the potential for free corrosion, the polarization curve, electrochemical characteristics, pitting corrosion.

Structure and electronic properties of the hybrid carbon phase formed by polymerization of bundles of nanotubes (6,0) – page 481
M.I. Tingaev, E.A. Belenkov
Abstract: Geometrically optimized structure and electronic properties of a new carbon phase consisting of carbon atoms in sp2 and sp3 hybridized states are calculated by the density functional theory method. The initial structure of the phase was constructed with partial cross-linking of the bundles of carbon nanotubes (6,0). The calculated sublimation energy of the sp2 + sp3 structure is 7,49 eV/atom. The density of electronic states at the level of the Fermi energy is zero, the width of energy gap band is 0,54 eV.
Keywords: carbon, crystal structure, carbon nanotubes, hybrid compounds, hybridization of atomic orbitals, density of electronic states.

Nano- and microsized heterodiamonds obtained from mixtures of carbon nitride and melamine with boron – page 488
V.P. Filonenko, I.P. Zibrov, A.S. Anokhin
Abstract: The paper presents experimental results of the synthesis under high pressure and temperature conditions of individual nano- and micron-sized heterodiamond crystals from mixtures of carbon nitride and melamine with boron. Heterodiamonds have the basic structure of cubic boron nitride, in which carbon occupies the positions of boron and nitrogen, and oxygen – only nitrogen ones. It is established that oxygen is responsible for the unit cell of boron nitride increase. It can enter to the lattice only if there is a deficit of nitrogen relative to boron.
Keywords: high pressure and temperature, boron nitride, carbon, boron, synthesis, heterodiamonds.

Gibbs potential of particles on two-dimensional lattice in the muffin-tin model – page 495
S.A. Khubezhov, V.I. Kesaev, I.V. Tvauri, A.P. Bliev, O.G. Ashkhotov, T.T. Magkoev
Abstract: The system of N identical particles in the tight bonding model on two-dimensional square periodic lattice, developed by axisymmetric partially-constant potential well, is considered. The chemical and thermodynamic Gibbs potentials of the system in Boltsman approximation are calculated.
Keywords: potential, particle, lattice, theorem, function, level, crystal, model, reaction, equation, approximation, zone.

Thermodynamic stability of CuxAg1-x  nanoparticles – page 500
I.V. Chepkasov, N.D. Artemova, V.S. Baidyshev
Abstract: Molecular dynamics method was applied to simulate processes of melting of disordered CuAg alloy particles in the D = 3 – 5 nm size range. It is shown that for small nanoparticles (diameter D = 3 nm) melting process is associated with formation of an outer layer consisting of Ag atoms and further transition of the particle to an amorphous state. With increasing the particle size to D = 5 nm, this effect was not observed.
Keywords: computer simulation, molecular dynamics, CuAg nanoalloy.

Estimation of stability of CuAu nanoparticles of different type – page 505
I.V. Chepkasov, A.Yu. Baev, V.S. Baidyshev
Abstract: The thermal stability of the structure of nanoparticles (D = 5 nm) of various types (binary alloy, core-shell, «Janus» type) and with different percentage of copper atoms was studied by molecular dynamic simulation. The most thermodynamically advantageous variants of the structure were determined and the influence of various temperatures on the structural stability of these nanoparticles was studied.
Keywords: nanoparticles, gold, copper, EAM potential, structure.

Wetting of copper surface by solid nanosized lead particles: molecular dynamics study – page 510
A.V. Chirkov, V.M. Samsonov
Abstract: Using molecular dynamics method, the solid state wetting in the system Pb (nanoparticle) / Cu (substrate) has been observed and studied. It has been found that the solid state spreading mechanism corresponds to the surface diffusion developed via the linear dependence of the square first monolayer radius on the spreading time. From the dependence in question, the surface diffusion coefficient was evaluated.
Keywords: solid state wetting, surface diffusion,  nanoparticles,  surface, molecular dynamics.

Contribution of dispersion interaction of s-spheres into the interfacial energy of α – Li and α – Na crystals bounding non-polar organic liquid boundary – page 518
I.G. Shebzukhova, A.M. Apekov
Abstract: The contribution of the dispersion interaction into the interfacial energy of lithium and sodium BCC-crystals has been found on the boundaries with non-polar organic liquids on the grounds of the electron-statistical method as well as the E.M. Lifshits theory.
Keywords: dispersion interaction, interface energy, electron-statistical method, lithium, sodium, non-polar organic liquid, theory by E.M. Lifshits.

Formation of microstructure of Bi-40 wt. % Sn alloy during hightspeed crystallization – page 522
V.G. Shepelevich
Abstract: Rapidly solidified foils of Bi – 40 wt. % Sn have homogeneous distribution bismuth and tin phases with microcrystalline structure. Its formation is caused by the spinodal decay of supercooled supersaturated liquid solution and subsequent nucleation and growth of centers of crystallization in areas rich in bismuth and tin.
Keywords: hightspeed crystallization, foil, phase, grain, bismuth, tin, spinodal decay.

Technological approaches for modified multilayer coatings formation based on nanostructured porous anodic Al2O3 and deposited dielectric films – page 529
D.L. Shimanovich
Abstract: Technological methods and conditions for additional inorganic dielectric films formation using the vacuum deposition on nanostructured porous alumina bases are investigated. Modified multilayer structures with closed porosity have been obtained. The improvement of thermophysical and electrophysical properties of finite dielectric coatings on aluminum substrates is demonstrated.
Keywords: aluminum, electrochemical anodization, porous anode alumina, nanostructured material, vacuum deposition, thermophysical and electrophysical properties.

Scanning electron microscopy in studying biocomposites with metal or organic scaffolds – page 536
A.G. Shirokova, E.A. Bogdanova, V.M. Skachkov, I.G. Grigorov, N.A. Sabirzyanov
Abstract: The authors proposed a new method of investigation of the microstructure of biocomposites with a metallic or organic matrix by scanning electron microscopy. Using the ScanMaster program 3D-images of highly porous honeycomb materials with HAP-coating were formed. The planar and spatial morphometric parameters of investigated objects for implant purposes were obtained.
Keywords: highly porous honeycomb materials (HPHM), hydroxyapatite (HAP), coating, biocomposites, scanning electron microscopy.

Investigation of electromass transfer in the borate-barium glass – page 544
Z.V. Shomakhov, O.A. Molokanov, A.M. Karmokov
Abstract: The results of investigation of processes occurring under heating and in isothermal conditions during the passage of electric current through borate-barium glass С78 – 5, applied in electronic engineering, are presented. Experimental data have been used to determine the dependence of the specific electric conductivity on the temperature and on the annealing time for a continuous unidirectional current through the sample, and also for a symmetric alternating current excluding electromass transfer.
Keywords: isothermal annealing, kinetics of electrical conductivity, borate-barium glass, structural transformations, specific electric conductivity, phase formation, activation energy of electrical conductivity.

ФХ-2016

SURFACE MODIFICATION OF STRONTIUM HEXAFERRITE COLLOIDAL NANOPARTICLES BY SILICA COATING – page 5.
E.O. Anokhin, L.A. Trusov, A.V. Vasiliev, A.E. Sleptsova, A.A. Eliseev, E.A. Gorbachev, P.E. Kazin
Abstract: We report a technique for producing hard-magnetic strontium hexaferrite colloidal particles with silica-modified surface. Three types of nanomaterials can be obtained by varying the synthesis conditions: «core-shell» particles; silica gels and sols filled with uniformly distributed hexaferrite particles.
Keywords: strontium hexaferrite, magnetic nanoparticles, magnetic fluids, colloids, silica, core-shell, coating.

COMPARATIVE INVESTIGATION OF THE CURRENT-VOLTAGE CHARACTERISTICS OF TUNELLING CONTACT FOR NANOSIZED GOLD AND SILVER FILMS – page 13.
A.S. Antonov, D.V. Ivanov, I.I. Sorokina, N.Yu. Sdobnyakov
Abstract:
A comparative investigation of the current-voltage characteristics of the gold and silver film samples with tungsten tip proves that experimental results demonstrate the need for careful analysis of the parameters affecting the tunneling current to receive additional information about the electronic structure of the sample.
Keywords: scanning tunneling microscopy, gold, silver, mica, current-voltage characteristic, the thermal expansion of the tip.

TEMPERATURE CONTRIBUTION TO THE INTERFACIAL ENERGY OF THE CRYSTAL FACES OF Sc, α – Ti AND α – Co AT THE BOUNDARY WITH THE ORGANIC LIQUIDS – page 19.
A.M. Apekov, I.G. Shebzukhova
Abstract: We developed a modified version of the electron – statistical method of calculation of the temperature contribution to the interfacial energy of the metal on the boundary with non-polar organic liquids. The dependence of the temperature contribution to the interfacial energy of Sc, α – Ti and α – Co metal on the orientation of the crystal and the dielectric permeability of the liquid has been obtained.
Keywords: interfacial energy, temperature contribution, scandium, titanium, cobalt, electron-statistical theory.

THE SIZE AND CONCENTRATIONAL DEPENDENSE OF THE SURFACE ENERGY OF THIN FILMS OF THE TRANSITIONAL METAL ALLOYS – page 26.
L.P. Aref`eva, I.G. Shebzukhova
Abstract:
On the bases of thermodynamic model we have obtained the ratio for the bond energy of alloy crystals. The modified electron-statistical method has reproduced size and concentration dependences of the surface energy of thin films of the transitional metal alloys.
Keywords: surface energy, concentration dependence, thin films.

THE RATE OF CONTACT MELTING AND PHASE TRANSFORMATION IN THE PAIR COPPER / ALUMINUM OF AMG-2 BRAND SYSTEM – page 32.
A.A. Ahkubekov, P.K. Korotkov, M.Z. Laypanov, A.R. Manukyants, M.Kh. Ponegev, V.A. Sozaev
Abstract: Studying of the contact melting (CM) in Cu / Al system plays an important role for the development of technology of the contact – reactive soldering. Also the data on CM can be of interest at design of layered intermetallic composite material of the system Cu – Al, by development of heat-dissipating devices, powerful high-frequency diodes and transistors. In the present work an attempt is made to reveal features of the structure of contact layers at contact melting of copper with aluminum of the AMG-2 brand (addition of Mg ~ 2 wet. %, the rest aluminum) and to fix influence of Mg impurity on the time dependence of the thickness of a contact layer for system Cu / Al.
Keywords: contact melting, intermetallics, phase formation, impurity.

MESOSCOPIC SIMULATION OF ENZIMLIKE NANOSTRUCTURS ON BASE OF N-VINYLCAPROLACTAM AND N-VINYLIMADAZOLE  – page 36.
P.O. Baburkin, P.V. Komarov
Abstract: We present new results of computer simulations of synthesis of block A – AB copolymers. Our model shows that compact and water-soluble globules, which can be used as basis for sinzymes, can be obtained in narrow range of investigated parameters.
Keywords: coarse-grained computer simulation, amphiphilic copolymers, protein-like polymers, enzyme.

INFLUENCE OF ELECTOMIGRATION ON THE FORMATION OF A TRANSIENT ZONE IN CONTACT OF SOLID BODIES AT A TEMPERATURE BELOW THE MELTING POINT OF A LOW-MELTING COMPOUND  – page 41.
A.M. Bagov
Abstract: A number of new systems has been increased in which the decrease of the temperature of a phase transition (melting) in the contact of pairs of solid heterogeneous metals (with differing state diagrams) can be observed. The joining of samples has been revealed in all studied systems and takes place in some temporal and temperature ranges specific to each pair of metals. The experiments have been conducted at the presence of electromigration. The passing current helps to identify the mentioned process.
Keywords: contact melting, electromigration, metals, alloys, diffusion, delta Т – effect, metastable contact melting, intermetallics, eutectics.

NONLINEAR CRYSTALLIZATION KINETICS OF LONG CHAIN POLYMER MATRIX INTO HIGH FULL COMPOSITES  – page 46.
B.K. Barakhtin, R.V. Sedletsky
Abstract: The polymer matrix composites samples have been investigated. The volume portions filling was ranged from 0,45 to 0,65. At the density, modulus of elasticity, strength and pitch amorphous coefficient increasing background, the quasi-periodical oscillations for the first time were fixed. Structure investigations with electron scanner and atomic force microscopes were carried out.
Keywords: polymer composite materials, mechanical tests, structure investigations.

THE SYNTHESIS OF COMPOSITES BASED ON POWDERS OF ALUMINIUM WITH SMALL ADDITIONS OF BARIUM – page 59.
S.A. Bibanaeva, V.M. Skachkov, B.N. Latosh, N.A. Sabirzyanov
Abstract: The article describes a method of producing a porous material of aluminum powders doped with small additions of barium after treatment with water. Studies of the strength properties, microstructure, specific surface area of the original samples and derived products were performed.
Keywords: aluminium powder, barium, cermet, specific surface, microhardness, scanning microscopy.

THE EFFECT OF THERMAL ANNEALING ON THE STRENGTH OF BIOACTIVE COATING ON THE POROUS TITANIUM – page 64.
E.A. Bogdanova, V.M. Skachkov, A.G. Shirokova, I.G. Grigorov, N.A. Sabirzyanov
Abstract: A number of works on creation of biocomposites based on highly porous titanium coated with hydroxyapatite (HAP) was conducted. Features of formation of the surface layer with the combination of the vacuum impregnation method and thermal annealing have been investigated. The effect of the heat treatment on the adhesive properties of the biocoatings is studied.
Keywords: composite biomaterial, bioactive coating, heat treatment, adhesion strength, hydroxyapatite (HAP), porous titanium.

DEVELOPMENT OF MODIFIED TECHNOLOGY OF PRODUCING NANOSTRUCTURAL MAGNETIC OIL – page 69.
A.N. Bolotov, V.V. Novikov, O.O. Novikova
Abstract: In the present work a technology is discussed of producing magnetic grease oil on the basis of a chlorsiloxane including synthesis from its molecules of the surfactant stabilizing magnetite particles. The obtained oil has high tribotechnical properties during the work in extreme service conditions.
Keywords: nanostructural magnetic oil, friction.

SYNTHESIS OF CARBON NANOSTRUCTURES FROM METHANE BY PLASMA-CHEMICAL METHOD – page 76.
Yu.V. Brylkin, G.N. Zalogin, A.V. Krasilnikov, N.F. Rudin
Abstract: The possibility of synthesis of carbon nanostructures by plasma-chemical method based on the decomposition of methane in an argon plasma is shown.
Keywords: scanning tunneling microscopy, electron microscopy, RF plasma torch, carbon materials.

STUDY OF PHASE FORMATION IN THE SYSTEM SrO – Fe2O3 – MoO3 – B2O3  – page 82.
A.V. Vasiliev, A.G. Fedorovskiy, A.A. Sycheva, L.A. Trusov, E.O. Anokhin, P.E. Kazin
Abstract: Oxide glasses were obtained by high-speed melt quenching. The glass ceramic samples were prepared by thermal crystallization method in reducing atmosphere. The phase composition and magnetic characteristics of the glass-containing Sr2FeMoO3 are investigated.
Keywords: strontium hexaferrite, magnetic nanoparticles, magnetic fluids, colloids, colloidal stability.

SYNTHESIS OF EXCHANGE-COUPLED COMPOSITE BASED ON SrFe10,7Al1,3O19 / Co CORE/SHELL PARTICLES  – page 88.
E.A. Gorbachev, L.A. Trusov, A.A. Eliseev, A.E. Sleptsova, E.A. Anokhin, A.V. Vasiliev, P.E. Kazin
Abstract: Exchange-coupled core/shell-structured magnetic materials can be potentially used as rare-earth free permanent magnets, but their synthesis presents a challenge. We report a wet chemistry method to synthesize core/shell structured particles consisting of a magnetically hard SrFe10,7Al1,3O19 core and a soft Co shell.
Keywords: magnetic materials, composites, hexaferrites, chemical synthesis, nanostructures.

QUANTUM-CHEMICAL MODELING OF CLUSTERS Bi(N-n)Sbn – page 95.
E.N. Gribanov, O.I. Markov, Yu.V. Khripunov
Abstract: In the present article the results are presented of quantum-chemical modeling of clusters of bismuth-antimony. Physico-chemical characteristics of the clusters of various compositions are calculated.
Keywords: cluster, bismuth, antimony, the transition semiconductor-semimetal.

INVESTIGATION OF INTERPHASE BOUNDARIES SYSTEMS Ag / TiO2, Au / TiO2, Ag / MoO3, Au / MoO3 – page 100.
G.S. Grigorkina, S.A. Khubezhov, I.V. Tvauri, O.G. Ashkhotov, I.B. Ashkhotova, E.N.Kozirev, V.B.Zaashvili, M. Wilde, D. Sekiba, S. Ogura, K. Fukutani, T.T. Magkoev
Abstract: The supported metal/oxide systems consisting of Au and Ag metal clusters, deposited on the surface of TiO2 and MoO3 in high vacuum, have been studied by means of X-ray photoelectron spectroscopy and X-ray diffraction. The major feature for all the studied systems is the reduction of the oxide at the contact interface by the deposited metal. The minor details differentiating Au and Ag, as well as TiO2 and MoO3 are determined by the differences in electronic structure of Au and Ag, TiO2 and MoO3, as well as their transformation at the contact.
Keywords: surface, border, interfacial oxide, metal, vacuum, diffraction, photoelectron spectroscopy, molybdenum, titanium, gold, silver.

THE STUDY OF HYDROXYAPATITE CONTAINING BIOCOMPOSITES BASED ON TITANIUM WITH VARYING POROSITY BY SCANNING ELECTRON MICROSCOPY – page 105.
I.G. Grigorov, A.G. Shirokova, E.A. Bogdanova, V.M. Skachkov, O.V. Skachkova, N.A. Sabirzyanov
Abstract: The work provides morphological and topographical data of the surface of synthesized biocomposites, with the aim of using them for bone implants obtained by scanning electron microscopy. As a metallic matrix, titanium of different porosity was selected, bioactive coating was formed by various methods from an aqueous suspension of hydroxyapatite. For coated samples 2D- and 3D- surface images were obtained using the Scan Master program.
Keywords: implant, biocomposites, titanium, hydroxyapatite (HAP), 2D- and 3D-images, scanning electron microscopy.

QUANTUM CHEMICAL MODELING OF THE MOLECULAR AND ELECTRONIC STRUCTURES OF THE ESTRON-CONTAINING BISFULLERENOL RADIONUCLIDE CANCER FIGHTING AGENTS – page 110.
E.A. Dikusar, A.L. Pushkarchuk, T.V. Bezjazychnaja, A.G. Soldatov, S.A. Kuten
Abstract: DFT-modeling of the molecular and electronic structures of the estron-containing bisfullerenol radionuclide cancer fighting agents has been carried out.
Keywords: DFT-modeling of the electronic structure, estron, bis-fullerenol radionuclide clusters, cancer fighting agents.

EFFECTS OF WATER SOLUBILITY IN ALKANES AND INTERFACE CHARGING ON STABILITY OF SHORT CHAIN ALKANE NANOFILMS ON WATER – page 119.
K.A. Emelyanenko
Abstract: Influence of water solubility in alkanes and charging of water/oil interface on the stability of alkane film was studied. Taking into account interactions, caused by charging and polarization of interfaces, as well as dissolution of water molecules inside the film, allows calculating equilibrium film thickness as a function of water concentration. Results indicate significant effects of dissolved water on the film thickness.
Keywords: disjoining pressure, wetting films, stability, image charge forces, Van-der-Waals forces, water solubility in alkanes.

ANALYSIS OF THE POSSIBLE USE OF NANOCLUSTERS OF Pt, Pd AND THEIR ALLOYS FOR RECORDING INFORMATION – page 128.
I.S. Zamulin, L.V. Redel
Abstract: On the basis of a computer simulation the possibility is evaluated of using individual nanoclusters of Pt and Pd as well as Pt – Pd nanoalloy particles as bits of information built on the principle of changing the phase state of the carrier. It is concluded that the most appropriate material to create the memory elements are nanoclusters of alloy Pt – Pd with 10% content of platinum atoms and diameter D ≥ 3,5 nm.
Keywords: computer simulation, molecular dynamics, nanoclusters, platinum, palladium, phase transitions, memory cells.

LIGHT INDUCED THERMODIFFUSION OF NANOPARTICLES – page 135.
V.I. Ivanov, G.D. Ivanova
Abstract: We have analyzed the optical transmittance response of thin cell with liquid containing absorbing nanoparticles in a Gaussian beam field. The transmittance spatial changing is caused by the thermal diffusion phenomenon (Soret effect) which produces the variations of concentration of absorbing nanoparticles.
Keywords: radiation, nanoparticle thermodiffusion, non-linear absorption.

THE INFLUENCE OF SURFACES NANOTOPOGRAPHY ON CHARACTERISTICS OF SOLIDS DISCRETE CONTACT – page 139.
V.V. Izmailov, M.V. Novoselova
Abstract: The influence of nanoscale deviations of real surfaces of engineering devices from the perfect shape (nanoroughness) on real contact area has been considered. The real contact area ensures the electrical charges or heat transport through the contact of solids. It is shown that the neglecting of the nanoroughness in significant overestimation of real contact area.
Keywords: surface, contact, nanoroughness, contact area.

PROPERTIES OF GADOLINIUM DOPED AMORPHOUS SILICON DIOXIDE NANOPOWDERS, PREPARED BY PULSED ELECTRON BEAM EVAPORATION – page 145.
V.G. Il`ves, S.Yu. Sokovnin, A.M. Murzakaev
Abstract: Amorphous silicon dioxide nanopowders doped with Gd (specific surface area of 175 to 212 m2/g) were prepared using the pulsed electron beam evaporation of the target presented by mechanical mixtures of amorphous Aerosil 90 (90 m2/g) and Gd2O3 powder (REO 99,9%). The obtained particles are small (less than 10 nm) and of high interparticle porosity and high concentration of gadolinium dopant, that indicates on the possibility of using the prepared nanoparticles SiO2 – Gd2O3 as contrast agents for magnetic resonance imaging.
Keywords: pulsed electron beam, the amorphous-nanocrystalline powders SiO2 – Gd2O3.

ELECTROMASSTRANSPORT IN GLASSES FOR ELECTRONICS – page 151.
A.M. Karmokov, O.A. Molokanov, Z.V. Shomakhov
Abstract: The results are presented of the investigation of the influence of heating and isothermal exposure on the electrical conductivity special glasses C87 – 2, C78 – 4 (lead-silicate) and C78 – 5 (borate-barium) which are applied in electronics.
Keywords: borate-barium glass, ionic conductivity, crystalline phase, nanoscale phase, annealing, lead-silicate glass, electromasstransport, electrical conductivity, electrical conductivity activation energy.

THERMODYNAMIC ANALYSIS OF PHASE FORMATION IN STAINLESS STEEL TREATED WITH A HIGH-INTENSITY PULSED ELECTRON BEAM – page 155.
A.A. Klopotov, Yu.F. Ivanov, V.A. Vlasov, A.I. Potekaev
Abstract: A thermodynamic analysis of phase transformations occurring during heat treatment of the alloy Fe – Cr – Ni – C, which is the basis of steel AISI 321, is carried out. The results of the analysis of the elemental and phase composition, the defect substructure of stainless steel caused by the irradiation with a high-intensity pulsed electron beam are presented.
Keywords: stainless steel, phase diagram of state, high-intensity pulsed electron beam, structure, properties.

DIFFUSION PROCESSES IN NANOSCALE NaAuy FILM – page 164.
M.V. Knatko, M.N. Lapushkin
Abstract: Alkali metal diffusion processes were studied in the semiconductor film NaAuy under the sodium flux modulation conditions deposited on the surface with the following thermal desorption. It is shown that the sodium ion emission in the surface ionization process is determined by a combination of adsorption and diffusion exchanges of Na atoms between surface and volume of the NaAuy film, as well as by diffusion processes within the film.
Keywords: adsorption, alkali metals, gold, intermetallic, thermal desorption of atoms and ions, surface ionization.

ABOUT ASSESSMENT OF DIHEDRAL ANGLE BETWEEN METAL NANOPARTICLES IN THE COALESCENCE PROCESS – page 172.
A.Yu. Kolosov, D.N. Sokolov, N.Yu. Sdobnyakov, P.V. Komarov, V.S. Myasnichenko, S.S. Bogdanov, A.A. Bogatov
Abstract: The Monte-Carlo simulation of the coalescence of gold, copper and silver nanoparticles of different shapes was carried out. The interaction between nanoparticles was described by the many-body Gupta potential. An algorithm for detection and assessment of the dihedral angle was developed. An assessment of the dihedral angle between metal nanoparticles in the coalescence process was carried out.
Keywords: coalescence, gold nanoparticles, copper nanoparticles, silver nanoparticles, Monte-Carlo method, Gupta interatomic potential, phase transition, neck formation.

THE INTERNAL ROTATION IN 1,n – DIFLUORINEALKANES – page 180.
A.V. Kotomkin, N.P. Rusakova, V.V. Turovtsev, Yu.D. Orlov
Abstract: Eight potential functions of the internal rotations around the C – C bonds in molecules 1,n-difluorine alkanes F – (CH2)n – F, where 3 ≤ n ≤ 6, were obtained and approximated by Fourier series. The local minima and transition states (TS) have been studied for all the examined compounds. A comparison of the rotation characteristics of studied molecules with same in 1-monofluorine alkanes was performed. The transferability of rotation parameters around C – C bonds has been showed.
Keywords: 1,n-difluorine alkanes, potential function, conformational analysis, internal rotation.

ELECTRONIC STRUCTURE OF NEW GRAPHENE POLYMORPHOUS TYPES – page 186.
A.E. Kochengin, E.A. Belenkov
Abstract: The structure of new polymorphic types of graphene was obtained as a result of different variants of linking of carbyne chains. Geometrically optimized structure and a number of properties of modelling derived layers were calculated using the density functional theory in the gradient approximation. As a result of calculations, the possibility of the stable existence of fifteen new polymorphic types of graphene were established, composed of carbon atoms in two or three different crystallographic positions. The band gap of eight polymorphs is zero, and for the rest is from 0,13 to 0,59 eV. The energy of sublimation for polymorphs L4-6-8a, L4-6-8b, L4-6-8c, L4-6-8e and L4-6-8f was higher than the values of the sublimation energy of main polymorphs of graphene (L4-8, L3-12 and L4-6-12), but lower than the energy of atomization of hexagonal graphene.
Keywords: graphene, polymorphism, electronic structure, computer modeling.

SURFACE MODIFICATION OF APATITE-POLYMER COATINGS BY ULTRAVIOLET RADIATION – page 195.
V.K. Krut’ko, A.I. Kulak, O.N. Musskaya, S.A. Ulasevich
Abstract: It has been found that ultraviolet radiation can enhance the degree of hydrophilicity of apatite-polymer coatings on the titanium surface, electrochemically deposited in a polyvinyl alcohol medium at a constant current density 10 – 60 mА/sm2 and the deposition time of 10 – 30 min.
Keywords: apatite-polymer coatings, polyvinyl alcohol, electrodeposition, ultraviolet radiation, hydrophilicity-hydrophobicity.

LIGHT INDUCED BUBBLE CLUSTERS – page 202.
A.A. Kuzin
Abstract: The formation of light induced bubble clusters on the liquid surface has been investigated experimentally. Ordered bubble clusters are formed by means of thermocapillary mechanism in a developed convection.
Keywords: mass transport in the binary media, microparticle thermocapillary drift, bubble cluster, light induced convection.

EFFECT OF PENETRATION DEPTH OF EXCITING ELECTRONS ON THE ELECTRON-STIMULATED DESORPTION YIELD – page 207.
Yu.A. Kuznetsov, M.N. Lapushkin
Abstract: We have studied the concentration dependences of electron-stimulated desorption (ESD) of Cs, Na, Sm, and Eu atoms upon their adsorption on nonmetallic layers of films grown on W substrate. It has been found that ESD processes occur at the adlayer – nonmetallic substrate interface. It has been also shown that reducing the ESD yield beyond one monolayer is due to a decrease in the number of exciting ESD electrons reaching the interface.
Keywords: electron-stimulated desorption, adsorption, alkali metals, rare-earth metals, gold, intermetallic compounds.

X-RAY AND MÖSSBAUER STUDY OF AMORPHOUS AND CRYSTALLINE FERROMAGNETIC MICROWIRES – page 214.
V.S. Larin, V.V. Korovushkin, A.T. Morchenko, L.V. Panina, V.G. Kostishyn, Yu.A. Lopatina, M.M. Salem, A.V. Trukhanov
Abstract: Study of amorphous ferromagnetic microwires in a glass shell before and after heat treatment under different conditions was performed by X-ray diffraction and Mössbauer spectroscopy. In the initial state, such microwires are of magnetically soft materials and show the effect of magnetic impedance used to create highly sensitive sensors. After procedure of the directional solidification, wires with a high cobalt content have hard magnetic properties and can serve as permanent magnets in devices of Microsystem engineering and other applications. To identify the processes occurring at transformation of the wire substances from amorphous to nano- and/or microcrystalline state, it was studied features of the wire structure.
Keywords: amorphous ferromagnetic microwires, magnetically soft\hard alloys, magnetic impedance, micromagnets. directional solidification, nanocrystalline state, coercivity, magnetic anisotropy.

SELF-HEALING COATINGS MADE OF METAL-MATRIX NANOCOMPOSITES COMPRISING LAMELLAR OXIDES EMPLOYED AS THE CARRIERS OF FUNCTIONAL COMPOUNDS – page 225.
A.S. Logvinovich, T.V. Sviridova, D.V. Sviridov, A.V. Kaparikha
Abstract: The paper results demonstrate the possibility of electrochemical synthesis of nickel-based metal-matrix composites doped by dispersed tungsten oxide which is capable to play role of dispenser of incorporated compounds of different functionality.
Keywords: metal-matrix composites, tungsten trioxide, electrochemical synthesis, electrochemical nickelcoating, benzotriazole, corrosion resistance.

THE DEPENDENCE OF THE VACANCY CONCENTRATION FROM THE SIZE AND SHAPE OF THE NANOCRYSTAL AT DIFFERENT PRESSURES – page 231.
M.N. Magomedov
Abstract: On the basis of generalized RP-model of the nanocrystal, in which there are vacancies in the lattice and the delocalized (diffusing) atoms, the expression for the Helmholtz free energy and the equation of state for the nanocrystal were obtained. The change in the probability of the vacancy formation and the probability of delocalization of an atom, depending on the size and shape of the nanocrystal at different temperatures and pressures were studied. The calculations are performed for BCC iron.
Keywords: vacancies, self-diffusion, nanocrystal, pressure, iron.

OBTAINING AND RESEARCH OF MICROCRYSTAL POWDERS OF LITHIUM NIOBATE AND TANTALATE – page 239.
S.M. Masloboeva, M.N. Palatnikov, L.G. Arutjunjan, D.V. Ivanenko
Abstract: A method of synthesis of microcrystal single phase high disperse powders of lithium niobate and tantalate with and narrow distribution of particle size was developed. Researches of final and intermediate products were carried out by differential thermal analysis, X-ray analysis, IR-spectroscopy, crystal optics, low-temperature nitrogen adsorption. Powder fractions 1 – 5µ and 5 – 10µ were obtained by decantation for different technical applications.
Keywords: lithium niobate (tantalate), niobium (tantalum) hydroxide, lithium acetate and citrate, liquid phase synthesis, annealing, fractioning.

PHASE TRANSITIONS IN THE FRUSTRATED ISING MODEL ON TRIANGULAR LATTICE – page 247.
A.K. Murtazaev, M.K. Ramazanov, M.K. Badiev
Abstract: Critical properties of an antiferromagnetic Ising model on a triangular lattice with interactions of the next-to-nearest neighbors are investigated by a replica Monte-Carlo method. Using the finite-size scaling theory the static critical exponents of specific heat, ordering parameter, susceptibility, correlation radius as well as the Fisher exponent are calculated.
Keywords: Monte Carlo method, Izing model, phase transition, antiferromagnetic frustration.

CELLULAR AUTOMATA MODEL OF THE TWO-DIMENSIONAL SINGLE COMPONENT AND BINARY NANOCRYSTALS GROWTH – page 253.
V.S. Myasnichenko, A.Yu. Kolosov, N.Yu. Sdobnyakov
Abstract: This paper describes a discrete model layered growth of nanocrystals and nanoalloys based on mathematical tools of cellular automata. It is shown that with the help of set of simple rules on a hexagonal grid we can simulate various physical characteristics of the self-organizing process, including atomic segregation and vacancies formation.
Keywords: discrete simulation, cellular automata, crystal, ultra-thin film, nanoalloy, spatial self-organization.

EFFECT OF EXTERNAL PRESSURE ON THE PHASE TRANSITION TEMPERATURE IN BIMETALLIC ARGENTIC NANOPARTICLES – page 259.
V.S. Myasnichenko, V.V. Kulagin, D.N. Sokolov, N.Yu. Sdobnyakov, L. Kirilov
Abstract: In this paper, a series of computer experiments on heating of clusters in the form of a truncated box is made by a molecular dynamics method (NPT ensemble). Clusters of the stoichiometric compositions AB and A3B were investigated for Cu – Ag and Au – Ag bimetallic systems. We used a modified many-body tight-binding potential. It was found that the temperature range of the structural stability for bimetallic nanoparticles (nanoalloys) have combined influence of the following factors: nanoparticle size and initial geometric form, nanoparticle composition, type and degree of atomic ordering, external pressure.
Keywords: external pressure, melting temperature, structural phase transition, bimetallic clusters, «core-shell» structure, silver nanoparticles, molecular dynamics method.

INSTALLATION FOR RESEARCH ON INFLUENCE OF PLASMA TREATMENT PHOTOELECTRON EMISSION – page 266.
R.R. Nagaplezheva, M.M. Uyanaeva
Abstract: The plasma treatment of the surface of sapphire was performed. The composition of the sapphire surface before and after plasma treatment was investigated by X-ray photoelectron spectroscopy (XPS).
Keywords: plasma, photoelectron emission.

ON THE SIZE DEPENDENCE OF THE ABSORPTION COEFFICIENT OF NANOSCALE FILM OF ETHANOL ON SILICON SUBSTRATE – page 269.
N.V. Novozhilov, N.Yu. Sdobnyakov, I.D. Rodin
Abstract: Using photometric spectroellipsometer «El`f» based on the spectrum analysis of the ellipsometric angles ψ and Δ, the investigation was performed of the size dependence for the absorption coefficient of ethanol film on silicon substrate.
Keywords: ellipsometry, nanoscale liquid films, absorption coefficient, ethanol, silicon.

TEMPERATURE RESISTANCE OF ELECTROMECHANIC CHARACTERISTICS OF Y + 42° -CUT LiTaO3 SINGLE CRYSTALS – page 273.
M.N. Palatnikov, V.A. Sandler, N.V. Sidorov, O.V. Makarova
Abstract: The temperature resistance of electromechanic characteristics of Y + 42° -cut LiTaO3 single crystals was investigated by dielectric spectroscopy and research of static and dynamic piezoelectric effect. Clear influence of the thermal history of crystal samples at thermocycling on resonance characteristics (values of resonance and antiresonance frequencies) was revealed.
Keywords: single crystals, lithium tantalate, piezoelectric modulus, electromechanic resonance, residual deformation, anisotropy, thermal history, thermocycling.

STUDY OF ATOM BOMBARDMENT ISOMERS CLUSTERS Ti7. MOLECULAR DYNAMICS SIMULATION – page 280.
N.A. Pan’kin
Abstract. Molecular dynamics has been performed of synthesis processes and ion bombardment titanium clusters Ti7 with pentagonal bipyramid structures (space group – D5h) and octahedron with an attached one of its faces a tetrahedron (C). It is shown that an increase in the synthesis temperature is accompanied by increased frequency of the low-energy D5h structure. The initial temperature of isomers (up to 300K) does not affect the interaction of the ion-cluster. The distribution of the particles formed as a result of cluster ion bombardment, according to their size. We construct the energy spectrum and the function for scattering angles for the distribution of ions and atoms and their analysis.
Keywords: cluster, isomers, bombardment, distribution function, space group.

ANALYSIS OF MOLECULAR MODELS UNDERLYING LOW-PARAMETRICAL EQUATIONS OF THE STATE: FROM EMPIRICAL MODIFICATIONS TO PHYSICALLY REASONABLE MODELS – page 292.
G.G. Petrik
Abstract: The paper presents some results of systematic approach to the search of physically reasonable equations of the state (EOS). The main result is that a large group of cubic EOS of VDV-type fits into the scope of the studied molecular model of interacting centers; it allows eliminating their basic disadvantage – poor connection with the micro-level.
Keywords: equation of state, control parameter, interacting centers model, Van der Waals equations of state, intermolecular interaction.

THE FORMATION OF THE INTERMEDIATE ORDER IN THE METGLASSES AND THE LONG ORDER IN NANOCRYSTALLINE ALLOYS TAKING IN ACCOUNT THE CHARACTER OF THEIR BONDS AND SHORT ORDER CHANGES – page 302.
V.A. Polukhin, E.D. Kurbanova, R.M. Belyakova
Abstract: Basing on the analysis of the available research data, the short and intermediate order of the structure formations in the amorphous as well as the long order in the nanocrystalline alloys have been revealed for both states of alloys considering with that their structures in corresponding atomic cluster configurations formed not only on the base of icosahedral packing but on the base of helicoid one with fraction symmetry supplying, for the inner structure of nanocrystalline alloys, the mutual coherence of crystalline and non-crystalline coordinations.
Keywords: molecular dynamics, metglass, nanocrystalline alloys, transition metals, Rare Earth elements, clusters, long order, intermediate order, short order.

FORCES IN ELECTRON-NUCLEAR SYSTEMS – page 312.
V.I. Repchenkov, A.A. Nalichayev, K.P. Deshkevich
Abstract: In present work a mechanism of occurrence returning forces in electron-nuclear systems is described.
Keywords: electron-nuclear systems, equilibrium, returning forces, chemical bonds, atom-atom potentials.

RELIABILITY ASSESSMENT OF COMPOSITION TiNiHf – page 315.
P.O. Rusinov, Zh.M. Blednova
Abstract: Based on comprehensive metalophysical researches, new information was obtained about the composition within the nanoscale surface-modified layer, its structural and mechanical properties. On the basis of experimental data on X-ray analysis of the alloy TiNiHf, the energy consumption, the theoretical strength have been calculated.
Keywords: shape memory effect, mechanical activation, durability, theoretical strength, energy capacity.

PHOTOINDUCED PROCESSES IN THIN FILM-PHOTOCATALYSTS BASED ON OXIDE NANOHETEROSTRUCTURES – page 323.
L.Yu. Sadovskaya, T.V. Sviridova, D.V. Sviridov
Abstract: The possibility of synthesis of hybrid oxide photocatalytic systems with prolonged oxidation activity has been demonstrated by combining nanodispersed titanium particles with
redox-active molybdenum trioxide capable to store photoproduced charges.
Keywords: nanodispersed titanium dioxide, photochemistry, molybdenum trioxide, solvothermal synthesis, hybrid oxide photocatalysts, oxidation activity, UV irradiation.

ON THE PROBLEM OF THE PHASE DIAGRAMM FOR BINARY METAL NANOPARTICLES – page 330.
V.M. Samsonov, S.A. Vasilyev, A.G. Bembel, A.Yu. Kartoshkin
Abstract: The problem of the phase diagram for binary metal nanoparticles is stated and discussed. From this viewpoint, three size ranges of metal nanoparticles are distinguished: small metal nanoparticles less than 1-2 nm in size, for which concepts of the thermodynamic phase and phase transitions seem to fail completely, mesoscopic particles containing from several hundreds to several thousands of atoms and big particles of order of 100 nm in size, for which the size dependence of the surface energy is not principal. As a pattern of phase diagrams for mesoscopic particles, phase diagram for binary Au – Ag particles consisting of 2000 atoms has been obtained using molecular dynamics results and discussed. It has been found that the form of this phase diagram principally differs from that for the corresponding balk phases. The melting-crystallization hysteresis is treated as the main reason of such a divergence.
Keywords: phase diagram, binary nanoparticles Au – Ag, melting-crystallization hysteresis.

EVALUATION OF THE PROPORTIONALITY COEFFICIENT IN THE RUSANOV’S FORMULA FOR THE SURFACE TENSION USING KINETIC DATA ON RATES OF EVAPORATION OF NANOPARTICLES AND SHRINGKAGE OF VACANCY PORES – page 337.
N.Yu. Sdobnyakov, V.M. Samsonov, A.N. Bazulev, D.A. Novozhilova
Abstract: Using experimental data on the evaporation rate of small metal particles (silver, lead) and of the rate of shrinkage of vacancy pores (aluminum), intervals of the reliability are estimated for the proportionality coefficient in Rusanov’s linear dependence σ = Kr between the surface tension σ and the particle radius r. The results obtained are compared to earlier estimations by E.N. Vitol (1992) and other authors.
Keywords: Rusanov`s formula, surface tension, proportionality coefficient, evaporation rate, shrinkage of vacancy pores rate.

ON SIZE DEPENDENCES OF MELTING AND CRYSTALLIZATION ENTROPIES OF COPPER NANOPARTICLES – page 345.
N.Yu. Sdobnyakov, A.D. Veselov, P.M. Ershov, D.N. Sokolov, V.M. Samsonov, S.A. Vasilyev, V.S. Myasnichenko
Abstract: Using molecular dynamics (MD) and Monte Carlo (MC) simulation results on melting and crystallization of copper nanoparticles (temperatures and heats of phase transitions), size dependences of the melting and crystallization entropies were obtained and analyzed. Besides, a theoretical approach to the estimation of size dependence of melting and crystallization entropies was developed. It has been found that the size dependence of the melting entropy is more pronounced than that for the crystallization entropy. The conclusion was confirmed using two alternative methods of computer simulation (MD and MC).
Keywords: size dependence, melting and crystallization entropies, copper nanoparticles.

RELIEF DYNAMIC HOLOGRAMS IN THIN LAYERED MEDIUM WITH THERMOINDUCED PHASE TRANSITION – page 354.
S.R. Simakov, V.I. Ivanov
Abstract: Theoretical analysis of the efficiency of reflective relief hologram in thin media layer was executed. The relief nonlinearity coefficient caused by phase transition in thin media layer is analyzed on the basis of two-dimensional thermal task.
Keywords: dynamic holography, relief holograms, phase transition.

SURFACE MODIFICATION OF POLYSTYRENE THIN FILMS BY RADIO FREQUENCY NITROGEN PLASMA TREATMENT – page 359.
A.V. Smirnov, I.V. Sinev, I.D. Osyko
Abstract: The effect of treatment by the radio frequency (RF) nitrogen plasma of magnetron discharge on surface modification of polymer thin films was studied. The dependence of surface roughness and wettability on the plasma exposure time was investigated. It was shown that increasing the treatment time in the nitrogen plasma in the range of 0 – 20 seconds reduces wetting angle from 110° to 69°. Also, it was observed a non-monotonic dependence of the roughness index in the range of 1,54 – 18,9nm.
Keywords: plasma treatment, surface modification, polystyrene.

THE FEATURES OF BEHAVIOR OF THERMODYNAMIC AND STRUCTURAL CHARCTERISTICS OF COBALT NANOPARTICLES WITH «MAGIC» NUMBER OF ATOMS – page 363.
D.N. Sokolov, V.S. Myasnechenko, A.P. Andriychuk, V.V. Kulagin, N.Yu. Sdobnyakov
Abstract: Investigations of thermodynamic and structural characteristics of cobalt nanoclusters in the process of phase transition melting/crystallization with the goal to identify characteristics of their behavior typical for the clusters with the «magic» number of atoms. The melting point of nanoclusters was determined using the temperature dependence of the specific internal energy of nanoclusters.
Keywords: cobalt nanoclusters, phase transition, melting temperature, «magic» numbers.

RESEARCH OF STRUCTURE AND OPTICAL PROPERTIES OF LiNbO3 : Zn CRYSTALS – page 372.
N.A. Teplyakova, N.V. Sidorov, А.А. Yanichev, M.N. Palatnikov, L.A. Alyoshina, A.V. Kadetova
Abstract: Structure of LiNbO3 : Zn crystals was shown to be more ordered in concentration range ~ 3,95 ÷ 4,54 mol. % ZnO. Rise of dopant concentration to 5,84 mol. % leads to sharp increase of 876 cm-1 Raman band. This band is connected with changes in B – O – B (B = Nb, Li, Zn) bridge. Change of ion contribution to this band explains smooth rise in electro-optical coefficients at 3 – 7,6 mol. % ZnO in LiNbO3.
Keywords: single crystal, lithium niobate, doping, zinc cations, Raman spectroscopy, full-profile XRD, stretching modes.

ASSESSMENT OF THE STABILITY OF THE PALLADIUM-PLATINUM NANOPARTICLES OF VARIOUS TYPES OF STRUCTURE – page 379.
I.V. Chepkasov
Abstract: Using molecular dynamics method and the EAM potential, the thermal stability was investigated of the structure of Pt – Pd nanoparticles (D = 1,5 – 4,0 nm) of various types (binary alloy, core-shell, Janus) and with different percentages of platinum atoms. It is shown that under the growth of the nanoparticles size, the thermal stability of their structure increased, and at the D = 3,0 nm transitions to other isomorphic modification were not found.
Keywords: nanoparticles, platinum, palladium, EAM-potential, structure.

THE ANALYSIS OF THE THERMAL STABILITY OF Cu@Si NANOPARTICLES – page 387.
I.V. Chepkasov
Abstract: In the work using molecular dynamics simulations, the parameters of the thermal stability of the composite nanoparticles Cu@Si of different size and structure were calculated. It was found that the thermal point of abrupt change in potential energy of the investigated particles. The relationship of these changes with the violation of the nanocomposite structure is discussed. It was concluded that with increasing the temperature the diffusion of copper atoms to the surface results in a reversal of the particle structure.
Keywords: nanoparticles, core-shell, MEAM- potential, thermal stability.

STUDY OF CuAu NANOPARTICLES CONDENSATION FROM THE GAS PHASE. MD-SIMULATION – page 393.
I.V. Chepkasov
Abstract: The condensation of the gas medium consisting of 85 000 Cu and Au atoms was studied by molecular dynamics using the tight-binding potential. The evolution of the modelled system while cooling with various constant rates shows a clear relationship between the cooling rate of the system, the final temperature, concentration, size and structure of the synthesized clusters.
Keywords: computer simulation, nanoparticles CuAu, structure, shape, the gas phase.

STRUCTURAL PROPERTIES OF FERROELECTRIC POLYMERS (PVDF AND PTFE-42, SKF-32) AND COMPOSITES BASED ON IT – page 398.
R.I. Shakirzyanov, V.A. Astakhov, A.T. Morchenko, N.P. Bessonova, N.A. Shmakova, A.E. Afonkin, A.A. Korlukov, M.I. Buzin
Abstract: Some structural properties of ferroelectric polymer thin film samples of polyvinylidenefluoride, its copolymers (F-42, SKF-32) and its composites with ferrite powder were investigated. Infrared spectroscopy shows that film of SKF-32 does not have areas of VDF chains with long sequences in planar zigzag conformation. Evaluation of the effect of the ferrite particles on the polymer matrix shows, that filler promotes the formation of new crystallization nuclei in the polymer F-42 and PVDF (F2M). By using the methods of polarizing optical microscopy and laser light scattering it was revealed that the PVDF film obtained by hot pressing, have spherilitic supramolecular structure, whereas the samples prepared by precipitation from solution, do not have such structure.
Keywords: ferroelectric polymers, ferrites, composites.

STRUCTURE OF RAPIDLY SOLIDIFIED BISMUTH-TIN ALLOYS ADDITIONAL DOPING WITH INDIUM – page 404.
V.G. Shepelevich
Abstract: Results of investigation of phase composition and microstructure of rapidly solidified doping with indium bismuth-tin alloys are presented. Doping with indium causes the consolidation of the structure.
Keywords: high-speed crystallization, foil, specific surface of interphase boundary, tin, bismuth, indium.

ELECTROCHEMICAL METHODS FOR NANOSTRUCTURED THICK-LAYER Al2O3-COATING FORMATION FOR EFFECTIVE HEAT-CONDUCTING BASES – page 410.
D.L. Shimanovich
Abstract: The aluminium alloys electrochemical anodizing methods in one-component and two-component pore-forming electrolytes for the manufacturing of large-format alumina bases (including the heatsink systems) with one-sided and two-sided dielectric anode alumina coatings are optimized. The comparative analysis of the dependences of thickness and nanostructured anode Al2O3 films formation rate on the anodizing electrochemical modes and the preliminary temperature Al treatment is demonstrated.
Keywords: aluminum, electrochemical anodization, porous anode alumina, nanostructured material, anodization rate, base plate, heatsink system.

ВЫБРАНО

ANALYSIS OF FUSION AND CRYSTALLIZATION PROCESSES OF CRYSTALLINE HYDRATES ON BASIS OF FUSIBILITY THERMOGRAMS – 5 page.
V.D. Aleksandrov, Sh.K. Amerkhanova, V.A. Postnikov, A.Yu. Sobolev, O.V. Sobol
Abstract: On basis of heating and cooling thermograms analysis of fusion, dehydration, hydration and solidification processes of crystalline hydrates Na2S2O3•5H2O, Na2SO4•10H2O, Na2SO3•7H2O, Na2CO3•10H2O and Na2CH3COO•3H2O is given. Hydrates structurization schemes in the liquid state are offered. The interpretation of different crystallization types reasons (quasiequilibrium and nonequilibrium-explosive) is given. Various stages of crystallization at EC and NEEC are considered. The equations for enthalpies of nucleation, coagulation and an isothermalpre-crystallization are obtained.
Keywords: crystalline hydrates, solutions, crystallization of water, fusion, dehydration, hydration, overcooling, equilibrium and nonequilibrium crystallization, nucleation, coagulation, enthalpy.

NOVEL ORGANIC HEAT STORAGE MATERIALS BASED ON PHASE TRANSFORMATIONS – 16 page.
V.D. Aleksandrov, Sh.K. Amerhanova, O.A. Pokyntelytsia, A.Ye. Pokyntelytsia
Abstract: In present paper the possibility of implementation of a number of the aromatic substances and their mixtures as promising heat storage materials (HSMs) is analyzed. The studied samples were not included in the nomenclature of HSMs. Physical and chemical parameters of the hydrocarbons as well as the eutectic compositions of their mixtures are presented. The fusibility thermograms indicate the applicability of these substances and their mixtures as HSMs.
Keywords: heat storage materials, aromatic hydrocarbons, phase transformations, fusibility thermograms, eutectic alloys.

STUDY OF THE STABILITY OF AQUEOUS COLLOIDS BASED ON HARD-MAGNETIC STRONTIUM HEXAFERRITE NANOPARTICLES – 22 page.
E.O. Anokhin, L.A. Trusov, A.V. Vasiliev, E.A. Gorbachev, A.A. Eliseev, P.E. Kazin
Abstract: Herein we investigate the stability of strontium hexaferrite aqueous colloid by dynamic light scattering method in relation to solution acidity and electrolyte concentration.
Keywords: strontium hexaferrite, magnetic nanoparticles, magnetic fluids, colloids, colloidal stability.

SCANNING TUNNELING MICROSCOPY FOR THE NANOCOATING «SILVER/MICA»: RELIEF MORPHOLOGY AND ELECTRICAL CHARACTERISTICS – 31 page.
A.S. Antonov, O.V. Mikhailova (Zonova), N.Yu. Sdobnyakov, D.N. Sokolov, D.V. Ivanov
Abstract: As a result of our investigation, it was shown that of thin metal films on dielectric substrates allow to prepare samples that satisfy the requirements for working the scanning probe microscope in scanning tunneling microscope mode. This preserves the information about the features of the surface morphology of individual objects smaller than 100 nm. The sample «silver/mica» is considered as an example. Linear dimensions of individual surface objects (peaks and troughs) have been determined including the factors affecting the formation of relief pattern. Certain parts of the profile and surface have been investigated for the presence of fractal structures. It was found that the system of clusters on the surface of the investigated sample is fractal. In addition, for each cluster dependence of the natural logarithm of the number of particles on the natural logarithm of the particle size of the cluster is approximately linear, that allows to consider the structure of individual clusters and the surface profile as fractal. The investigation of the current-voltage characteristics of the metal-metal silver sample with tungsten tip proves the experimental results demonstrating the need for careful analysis of the parameters affecting the tunneling current to receive extract information about the electronic structure of the sample.
Keywords: scanning tunneling microscopy, silver, mica, fractal dimension, profile, surface, current-voltage characteristic, the thermal expansion of the tip.

DEPENDENCE OF INTERFACIAL ENERGY OF ALKALI METALS BOUNDING TO HEXANE ON ORIENTATION AND ATOMIC NUMBER OF ELEMENT – 47 page.
A.M. Apekov, I.G. Shebzukhova
Abstract: The method to calculate the interfacial energy on the boundary with non-polar organic liquids has been developed within the electron-statistical theory. The dependence of interfacial energy of faces of alkali metal crystals bounding to hexane on the atomic number of the element has been obtained. The anisotropy of the interfacial energy has been found.
Keywords: interfacial energy, lithium, sodium, potassium, rubidium, cesium, atomic number, electron-statistical theory.

ANISOTROPY OF WORK FUNCTION OF BCC 4D AND 5D METALS
L.P. Aref`eva, I.G. Shebzuhova
Abstract: On the bases of modified electron-statistical method, we have proposed the method of calculation of the work function’s anisotropy of metallic monocrystals. The work function and surface energy had been calculated for closepacked faces of allotropy phases of 4d– and 5d– metals with bcc structure. We had demonstrated that this method gives the results, which correlate with experimental data for polycrystals.
Keywords: anisotropy, work function, surface energy, transition metals, temperature dependence, allotropy phases.

THE CONTACT MELTING OF COPPER WITH ALUMINUM – 59 page.
A.A. Ahkubekov, P.K. Korotkov, A.R. Manukyants, M.Kh. Ponegev, V.A. Sozaev
Abstract: The contact melting of copper (in shape of a cylinder) and aluminum (in shape of a cone) has been carried out. The needle-like structures of sizes 250-270 microns in length and 10-11 microns in width as well as the dendritic arrangements of ~2,6 millimeters length have been revealed within the formed contact layer. The thin film (of thickness about 30 microns) has been observed straight of the copper which is, obviously, the phase Al4Cu9 the presence of which the state diagram indicates.
Keywords: contact melting, dendritic arrangements, metals.

SIMULATION OF SYNTHESIS AND COLLAPSE OF  AMPHIPHILIC COPOLYMER WITH THE NUCLEATING HYDROPHOBIC BLOCK – 63 page.
P.O. Baburkin
Abstract: Results of coarse grained simulations of synthesis of amphiphilic AB copolymers with the aim to obtain compact and stable core-shell nanostructures are presented. It is shown that the target nanostructures are formed at an optimal monomer ratio in the reaction mixture. These results can be used as the reference point in a laboratory synthesis.
Keywords: Coarse-grained computer simulation, amphiphilic copolymers, protein-like polymers, enzyme.

INVESTIGATION OF ALUMINUM NITRIDE FORMATION PROCESSES IN PLASMA WHEN THE ALUMINUM ALLOY D16T IS SUBJECTED TO THE EFFECT OF DOUBLE LASER PULSES IN THE AIR – 70 page.
Bazzal Khodor, Fadaijan Аhmad Reza, Е.S. Voropay, А.P. Zajogin
Abstract: The effect exerted by defocusing of double laser pulses on the formation of the component and charge composition in the surface laser plasma has been studied by the laser spark spectrometry (LSS) method. The possibility to increase the portion of variously charged aluminum ions in the surface laser plasma and also of AlN clusters when the target was subjected to a series of successive double laser pulses has been demonstrated.
Keywords: AlN radicals, pulsed laser deposition, surface laser plasma, laser spark spectrometry, multiply charged ions, double laser pulses.

MOLECULAR DYNAMICS STUDY OF THE KINETICS OF CuAu CLUSTERS FORMATION IN THE CONDENSATION PROCESS FROM HIGH TEMPERATURE GASEOUS PHASE – 76 page.
V.S. Baidishev, Yu.Ya. Gafner, E.A. Kartavych
Abstract: Condensation of copper-gold clusters from gas phase at high temperatures was simulated using molecular dynamics. It is shown that the initial density of the metal vapor has a significant influence on the kinetics of cluster structures formation.
Keywords: computer simulation, molecular dynamics, condensation, nanoclusters.

THE STRUCTURE SYSTEM ANALYSIS APPLICATION FOR OPTIMIZATION OF STILL-WELDING REGIMES – 83 page.
B.K. Barakhtin, M.A. Vysockaya
Abstract: The structure investigation results on still-welding zones of aluminum-magnesium group’s alloys are presented. The structure changing at still-welding regimes was exposed by metallographic and system analysis methods.
Keywords: still-welding, microstructure, plastic deforming, tribolodgy, fractal analysis.

CREATING A HEAT SINK METAL-COMPOSITE MATERIAL – 97 page.
V.V. Batin, N.A. Pan’kin
Abstract: The results are presented on the creation of a composite material for heat sink substrate of semiconductor crystals of power electronics products with a given set of physical and mechanical properties.
Keywords: metal matrix composite material, melting temperature, the thermal expansion coefficient.

ON PROSPECTS OF PRODUCTION AND APPLICATION OF AMORPHOUS CHALCOGENIDE FILMS GeSbTe-101 page.
S.A. Baturkin
Abstract: This work may be treated as a review of papers devoted to the structural transition from amorphous to crystalline state of chalcogenide films GeSbTe and the effect of memory related to the transition in question, i.e. to the keeping of the conductive state of the film in the absence of the external voltage for a long time. Besides, a review is presented of the result of author related to the improvement of the polylayer film technology.
Keywords: chalcogenide films, compounds germanium-antimony-tellurium, memory effect, polylayer films, technology.

STRUCTURE OF SP2+SP3 HYBRID PHASES RESULTING FROM CARBON NANOTUBES -111 page.
E.A. Belenkov, M.I. Tingaev
Abstract: A theoretical analysis of the possible structure of new carbon phases consisting of carbon atoms in the three- and four-coordinated states resulting by cross-linking bundles of zigzag nanotubes is performed. The calculation of the structures of sp2+sp3 hybrid phases was performed using density functional theory (DFT). As a result of the simulation revealed that there are 14 new hybrid carbon phases. Structural parameters, density of states and bandstructures for all phases were calculated.
Keywords: carbon, diamond, graphene, crystal structure, carbon nanotubes, hybrid carbon phases, computer simulation.

STRUCTURE AND ELECTRONIC PROPERTIES OF Α-GRAPHYNE, WHICH CAN BE OBTAINED BY L4-8 GRAPHENE -117 page.
T.E. Belenkova, V.M. Chernov
Abstract: Using the density functional theory method, we calculated the crystalline structure and electronic properties of new structural modification of α- graphyne, which can be obtained by L4-8  graphene.
Keywords: carbon, graphene, hybridization, electronic structure, modeling.

INFLUENCE OF TEMPERATURE TREATMENT ON THE STRUCTURE AND COMPOSITION OF NANOSIZED ZnO, OBTAINED BY SOL-GEL METHOD – 123 page.
A.V. Blinov, A.A. Kravtsov, M.A. Jasnaja, A.Ju. Rusanov, E.V. Momot
Abstract: Synthesis of nano-sized zinc oxide was performed by sol-gel method. The structure of the nano-sized ZnO was studied at the gel stage. The effect of calcination temperature on ZnO nanoparticles size and polydispersity of the samples and their phase composition and structure was investigated. IR spectroscopy of the samples of nano-sized zinc oxide was carried out.
Keywords: ZnO nanoparticles, sol-gel method, TEM, XRD, IR spectroscopy.

EVALUATION OF BIOACTIVE COATING DURABILITY ON THE TITANIUM OF VARIOUS POROSITY – 130 page.
E.A. Bogdanova, V.M. Skachkov, A.G. Shirokova, N.A. Sabirzyanov
Abstract: The ways of bioactive composite creation on porous titanium substrate are considered. Strength and adhesive properties of hydroxyapatite on the titanium are studied. The methods of determining suitable for evaluation of metal and non-metallic components adhesion in the composite are offered.
Keywords: biocomposites, functional bioactive coating, strength properties, hydroxyapatite (HAP), porous titanium.

THE INFLUENCE OF THE MAGNETIC FIELD ON THE LUBRICATING PROPERTIES OF THE NANOSTRUCTURED MAGNETIC OIL – 137 page.
A.N. Bolotov, G.B. Burdo, V.V. Novikov, O.O. Novikova
Abstract: We researched the effect of the magnetic field on the structure and properties of the lubricants. The magnetotribological effect was discovered. It was established that wear-preventive properties of the oil degrade because of the uniform fields influence.
Keywords: magnetic oil, disperse medium, nanodispersed particles, friction, deterioration, magnetotribological effect.

RESEARCH OF THE DEPENDENCE OF SURFACE PHYSICAL PROPERTIES FROM THE FRACTAL DIMENSION – 142 page.
Yu.V. Brylkin, A.L. Kusov
Abstract: On the basis of images obtained using a scanning tunneling microscope, it is shown that the fractal dimension may be a universal feature in the study of surfaces development at a level close to the nanometer. Also the dependence of the material catalytic properties from the surface morphology is revealed.
Keywords: fractal, scanning tunneling microscopy, surface topology, catalytic activity.

SPECTRAL AND VOLTAMMETRIC CHARACTERISTICS OF NANOSTRUCTURED ZnO – 150 page.
L.Yu. Buldakova, O.I. Gyrdasova, V.N. Krasil’nikov, I.V. Baklanova, M.Yu. Yanchenko
Abstract: Nanostructured ZnO was obtained by using zinc salts with an organic ligand as a precursors. It is shown that ZnO synthesized from Zn(OCH2OCHCH2O) possessed the best optical, voltammetric and photocatalytic characteristics.
Keywords: Zinc oxide, nanostructures, synthesis, precursors, morphology, microstructure, defects of structure, dynamics of electron excitations, photocatalysts.

STUDY ON THE POSSIBILITY OF DOPING WITH NITROGEN AND SILICON CAVITATION NANODIAMONDS – 158 page.
S.А. Voropaev, N.V. Dushenko, A.S. Aronin, V.M. Shkinev, E.M. Galimov
Abstract: Colour centers in nanodiamonds by experiments with organic liquids under cavitation are obtained. The features of doping with nitrogen and silicon at their occurrence in a crystalline structure of carbon nanoparticles are considered.
Keywords: diamond, impurity, photoluminescence, cavitation, nitrogen, silicon.

RESEARCH OF CLUSTER FORMATION IN CRYSTALS OF LITHIUM NIOBATE BY COMPUTER MODELING METHOD – 165 page.
V.M. Voskresensky, O.R. Starodub, N.V. Sidorov, M.N. Palatnikov
Abstract: A study of the processes occurring during the formation of the energy equilibrium oxygen octahedral clusters of lithium niobate crystal is carried out. It is shown that there is energetically favorable size of a cluster, and due to the loss of electrical neutrality cluster of stoichiometric composition cannot exist. The most favorable energy corresponds to the cluster with a ratio of Li/Nb≈0,945, which is close to the ratio of lithium to niobium in congruent crystal.
Keywords: lithium niobate, cluster, simulation.

CRYSTALLINE STRUCTURE AND PROPERTIES OF LA7 DIAMOND-LIKE PHASE -174 page.
V.A. Greshnyakov, E.A. Belenkov
Abstract: Using the density functional theory method, we calculated the crystalline structure and properties of LA7 diamond-like phase, which can be obtained by linking of graphene layers.
Keywords: diamond, polymorphism, diamond-like phase, modeling, crystal structure, electronic density of states, bulk modulus, hardness, X-ray pattern.

SEM STUDY OF THE MICROSTRUCTURE OF BIOCOMPOSITES BASED ON HIGHLY POROUS HONEYCOMB MATERIALS – 179 page.
I.G. Grigorov, A.G. Shirokova, E.A. Bogdanova, V.M. Skachkov, S.V. Borisov, N.A. Sabirzyanov
Abstract: The paper is devoted to the study of the morphology and surface topography of the synthesized biocomposites, intended for creation of implants by scanning electron microscopy. Produced by ion-plasma spraying NiTi was selected as the metal substrate. Bioactive coating formed from an aqueous slurry of hydroxyapatite. The effectiveness of the proposed in the work methods of the coating was evaluated by constructing 2D- and 3D-images of the surface.
Keywords: implant, biocomposites, Titanium Nickelide (NiTi), hydroxyapatite (HAP), 2D-, 3D-image, scanning electron microscopy.

EFFECT OF LATERAL INTERACTION ON THE IMPURITY SEGREGATION IN FILMS – 186 page.
I.М. Davydova, T.N. Мelnik, V.М. Yurchenko
Abstract: Theoretical analysis of the effect of lateral interaction on the kinetics and the result of segregation in multi-layered films has been carried out. The ranges of the parameters (the initial impurity concentration, the temperature and the film thickness) are found where the effect substantially modifies the process. As compared to the impurity segregation in bulk samples, the established range of the parameters is narrower because of the limited reserve of the impurity within a thin layer.
Keywords: segregation, lateral interaction, Fowler isotherm

QUANTUM CHEMICAL DESIGNING OF ENDOHEDRAL CONTAINING INDIUM DERIVATIVES OF BUCKMINSTERFULLERENE C60 AND C70 FOR DEVELOPMENT RADIONUCLIDE NANOSIZED AGENTS THAT DESTROY A TUMOR -193 page. 
Е.А. Dikusar, А.L. Pushkarchuk, V.I. Potkin, S.Ya. Kilin, А.G. Soldatov, S.А. Kuten, A.N. Khmelevskiy, L.F. Babichev
Abstract: In this work the simulation was performed of the electronic structure and geometry of endohedral containing Indium derivatives of buckminsterfullerene C60 and C70 and monoester – a heterocyclic carboxylic acid derivative.
Keywords: electronic structure simulation, endohedral containing Indium derivatives of buckminsterfullerene, agents that destroy a tumor.

INVESTIGATION OF INFLUENCE OF SCANNING STEP ON IR-TRANMISSION SPECTRA OF NITRIDE ALUMINUM FILMS – 208 page
O.S. Zurkhaeva, D.S. Zurkhaev, L.P. Aref`eva
Abstract: The influence of scanning step on IR-tranmission spectra of nitride aluminum films had been study. The optimal conditions of scanning, when the ratio «signal-noise» has minimum, had been determined.
Keywords: IR-spectroscopy, thin films, semiconductors.

A HOLOGRAPHIC SENSITIVITY OF THE NANOHETEROGENEOUS MEDIUM WITH A BLURRED PHASE TRANSITION – 216 page.
V.I. Ivanov, S.R. Simakov
Abstract: A holographic sensitivity of the nanoheterogeneous medium with a blurred metal-semiconductor phase transition is analyzed. It is shown that the maximum value of the energy sensitivity is achieved for the final width of the phase transition.
Keywords: holographic sensitivity, metal-semiconductor phase transition, vanadium dioxide.

NONEQUILIBRIUM CURRENTS IN THIN-LAYER METAL-FERROELECTRIC-METAL SANDWICH STRUCTURE – 220 page
V.I. Ivanov
Abstract: A thermoinduced nonequilibrium current is described in thin metal-ferroelectric-metal sandwich system. The thermal response value increases dramatically when one reduces the thickness of the crystal. Possible mechanisms of the phenomenon are discussed.
Keywords: thermovoltaic effect, lithium niobate, metal-ferroelectric-metal sandwiched structure.

MODIFICATION OF SURFACE LAYER OF HYPEREUTECTIC SILUMIN BY HIGH-INTENSITY PULSED ELECTRON BEAM – 225 page.
Yu.F. Ivanov, A.P. Laskovnev, A.D. Teresov, N.N. Cherenda, V.V. Uglov, E.A. Petrikova, M.V. Astashinskaya, N.N. Koval
Abstract: The results of the analysis of the elemental and phase composition, the defect substructure, strength and tribological characteristics of the hypereutectic composition silumin in the molten state and after irradiation with high-intensity electron beam are presented. The formation of the modified surface layer with thickness of up to 1000 µm, having increased strength and tribological characteristics was demonstrated as a result of irradiation.
Keywords: hypereutectic composition silumin; high intensity pulsed electron beam, structure, properties.

STRUCTURAL PHASE STATES OF Cu-Zn-Al ALLOY POWDERS PRODUCED BY HF-PLASMA-CHEMICAL DENITRATION -232 page.
Yu.F. Ivanov, A.A. Klopotov, N.V. Dedov, N.A. Popova
Abstract: The paper presents a study of Cu-Zn-Al alloy that is proved to be a multiphase material. In the equilibrium state, α– phase (fcc crystal lattice) and β– phase (simple centered cubic lattice) can be formed in this alloy based on copper. It is shown that γ– phase can be formed due to the three-component alloy composition, and the different chemical composition of the  Cu- based solid solution (Zn or Al alloys), the different concentrations of its second element result in the formation of a certain amount of α- and β-phases within the one type of the crystal lattice that differ in its parameter. The possibility of the alloy powder synthesis is shown using the plasma-chemical techniques that allows the formation of X-ray amorphous and nanocrystal structure. A variety of binary phases characterized by Zn and Al concentration in the Cu– based solid solution is described in this paper. The experimental results show that plasma-chemical synthesis of metal alloy powders is accompanied by decomposition of chemical elements. Powders of the triple composition were not observed.
Keywords: alloy; HF-plasma-chemical denitration, phase diagram, phase composition, structure.

THE INFLUENCE OF THIN FATTY ACID FILMS ON TRIBOLOGICAL PROPERTIES OF A DISCRETE CONTACT OF METAL SURFACES – 242 page.
V.V. Izmailov, A.F. Gusev, M.V. Novoselova
Abstract: The values of the coefficient of friction in a single ball–plane contact have been measured experimentally under small normal loads (0,5-5 mN). The contact parts are made of steel. The experiments have been carried out with thin fatty acid films layered on a flat contact part. The fatty acids have various molecular lengths. Experimentally obtained values of the specific force of friction at a microscale level are higher than similar values known from literature and obtained in experiments at a macroscale level.
Keywords: friction coefficient, specific force of friction, fatty acids.

PROPERTIES OF ZnO CERAMICS SINTERED FROM NANOPOWDERS ZnO-Zn, OBTAINED PULSED ELECTRON EVAPORATION – 249 page.
V.G. Il`ves, S.Yu. Sokovnin, V.R. Khrustov, S.V.Zayats, S.V. Pryanichnikov, M.G. Zuev
Abstract: We investigated the properties of ceramic ZnO, sintered from nanopowders ZnO-Zn, obtained by a pulsed electron evaporation of diverse targets. Behavior of shrinkage curves of nano ZnO-Zn depends on the history of their production. Evolution of properties of nanoparticles ZnO-Zn during annealing in the air were traced via XRD and pulsed cathodoluminescence.
Keywords: pulsed electron beam, nanopowders ZnO-Zn, ceramic ZnO-Zn, cathodoluminescence ceramic ZnO-Zn.

THE CALCULATION OF SURFACE THERMODINAMICAL PARAMETERS FOR BINARY ALLOYS OF METALLIC SYSTEM – 257 page.
Z.Kh. Kalazhokov, Zaur Kh. Kalazhokov, Kh.Kh. Kalazhokov, N.S. Reutskaya, Z.V. Kardanova, E.Kh. Sherieva
Abstract: The methods for estimation of adsorption and surface concentration of binary alloys components by the particle exchange parameter between surface and bulk phases of binary alloys are suggested. It is shown the suggested methods allow to exclude some tradition calculation methods deficiency of these surface parameters.
Keywords: surface tension, adsorption, surface composition.

THE ELECTRO-PHYSICAL PROPERTIES OF A SPECIAL GLASS ELECTRONIC ENGINEERINGS – 263 page.
A.M. Karmokov, O.A. Molokanov, Z.V. Shomakhov
Abstract: The regularities of changes in the electrical properties of glasses S87-2, S78-4, S78-5 used in vacuum electronics. A correlation between structural change and electrical conductivity is proposed. A comparative analysis was carried out of the influence of an electric current on the formation of a new phase and the time to reach the phase equilibrium in the glass.
Keywords: microchannel plate, the emission layer, lead-silicate glass, barium borate glass, conductivity, isothermal annealing, elektromassoperenos, phase equilibria.

SYSTEMATIC COMPARISON OF THE SOLUBILITY AND SUPERSOLUBILITY ON THE BASE OF THE SALT DIMENSIONAL FACTORS – 270 page.
B.I. Kidyarov
Abstract: A comparison of the solubility line and the metastability boundary in aqueous solutions have been carried out on the basis of the salt dimensional factors. It is shown that these solution parameters and other ones are changed non-monotonically due to the ionic radii increasing for iso-valence salt groups. It is observed the salt taxonomy on the characteristic subgroups of ideal and non-ideal electrolytes.
Keywords: ion dimension, mechanism of the nano-stage nucleation, solution supercooling, dimensional dependence of the salt solubility and supersolubility.

A NONLINEAR OPTICAL DIAGNOSTICS OF NANO-LIQUIDES – 280 page
S.I. Kirjushina, A.V. Mjagotin
Abstract: Nonlinear lens technique is widely used to study nonlinear media and optical diagnostics of materials. In the dispersed environment there is a specific mechanism of optical nonlinearity based on the redistribution of the dispersed particle concentration in the light gradient field. In this paper a theoretical analysis of the light-induced mass transfer in the dispersed liquid medium in the Gaussian beam field was carried out.
Keywords: radiation self-action, electrostriction, dispersion medium.

EFFECT OF ELECTRIC FIELD ON PROCESSES IN SEMICONDUCTOR NaAuy FILM – 284 page.
M.V. Knatko, M.N. Lapushkin
Abstract: The processes in semiconductor film NaAuy under the influence of an external electric field are studied. The model based on the properties of hole and electron conductivity of the semiconductor was suggested.
Keywords: adsorption, alkali metals, gold, intermetallic compounds, thermal desorption of atoms and ions, surface ionization.

METALS COALESCENCE AS A MECHANISM FOR NANOSOLDERING: SEARCHING STABLE CONFIGURATIONS – 292 page.
A.Yu. Kolosov, D.N. Sokolov, N.Yu. Sdobnyakov, P.V. Komarov, S.S. Bogdanov, A.A. Bogatov
Abstract: The simulation of the creating gold nanoscale contacts between tracks of nanoscale buses for different system configurations by Monte-Carlo method was carried out. The interaction between nanoparticles was described by many-body Gupta potential. The optimum parameters for creating nanoscale contacts between tracks of nanoscale buses have been determined. The final stable structure of nanoscale contacts has been analyzed.
Keywords: nanoscale contactnanosoldering, gold and silver nanoparticles, coalescence, Monte-Carlo method, Gupta potential, stability.

THE DEVELOPMENT OF CORSEGRAINED MODEL OF ALUMINOSILICATE HALLOYSITE NANOTUBES – 302 page.
P.V. Komarov, V.A. Ivanov
Abstract: The problems of constructing of large-scale model of composites based on polymers and aluminosilicate nanotubes have been considered.
Keywords: nanocomposite, nanoparticles, computer simulation.

WAVE NATURE OF THE SYNTHESIS REACTIONS OF DOPED CALCIUM CARBONATE- PHOSPHATES AS ACTIVE BIOMATERIAL FOR OSTEOGENESIS – 311 page.
L.F. Koroleva
Abstract: A mechanism of the synthesis reactions of doped nanocrystalline calcium carbonate phosphates is considered, which has a wave nature and this result does not conflict with wave package. For the synthesis of doped calcium carbonate – phosphates motion the wave packet on the surface describes a set of consecutive zeroth order reactions.
Keywords: synthesis, mechanism, doping, carbonates, calcium phosphate, biomaterial, osteogenesis.

SCHEME FOR OBTAINING POLYMORPHOUS MODIFICATIONS OF GRAPHENE FROM CARBYNE CHAINS – 316 page.
A.E. Kochengin, E.A. Belenkov
Abstract: In the paper it was studied the structure of polymorphic modifications of graphene that can be obtained by cross-linking carbyne chains. It was found possibility of stable existence of new structural modifications of graphene.
Keywords: carbon, graphite, crystal structure, polymorphism, modeling.

ELECTROCHEMICAL DEPOSITION OF APATITE-POLYMER COATINGS ON TITANIUM SURFACE – 322 page.
V.K. Krut’ko, A.I. Kulak, O.N. Musskaya
Abstract: The apatite-polymer coatings on titanium substrates have been obtained using electrochemical deposition at constant current density of 20-80 mА/sm2 and room temperature in polyvinyl alcohol medium containing CaCl2NH4H2PO4 electrolyte. The apatite-polymer coatings consist of brushite CaHPO4 × 2H2O, portlandite Ca(OH)2, amorphous calcium phosphate Ca3(PO4)2 × nH2O and hydroxyapatite Ca10(PO4)6(OH)2 depending on the deposition conditions.
Keywords: calcium phosphates, polyvinyl alcohol, electrochemical deposition, biocompatible coatings.

THE LIGHT INDUCED PSEUDO-PRISM METHOD IN NANOFLUID – 329 page.
V.I. Krylov, G.D. Ivanova, V.K. Khe
Abstract: The light induced pseudo-prism method is used to study nonlinear media and for optical diagnostics of materials. This paper proposes a way to create pseudo-prisms in the nanodispersive liquid through the light radiation pressure. As a result of the analytical solution of the light induced mass transport task it was obtained an expression for the deflection angle of the beam in a pseudo-prism.
Keywords: pseudo-prism method, light pressure, nanoliquids.

ELECTRON-STIMULATED DESORPTION OF CESIUM ATOMS ADSORBED ON GOLD SURFACE – 333 page.
Yu.A. Kuznetsov, M.N. Lapushkin
Abstract: The Cs atom electron-stimulated desorption (ESD) processes in Cs / CsAu / Au / W system have been studied. There have been shown that ESD processes occurred in the  adlayer and in the nearest CsAu layer. The Cs atom ESD model in Cs / CsAu / Au / W system have been suggested. Nonmetallic (semiconductor) nature of CsxAuy compounds have been corroborated.
Keywords: electron-stimulated desorption, adsorption, alkali metals, gold, intermetallic compounds.

SIMULATION OF COORDINATION TRANSFORMATION AND ATOMIC DYNAMICS OF LOW DIMENSIONAL SYSTEMS REINFORCED  Cu,Ru,Ru-Pd FILMS GRAPHENE  -341 page.
E.D. Kurbanova, V.A. Polukhin, N.S. Mitrofanova, L.K. Rigmant
Abstract: In the presented article results of the molecular and dynamic modeling executed with use of many-body potentials. There has been carried out the analysis the thermoactivity of processes of a relaxation, diffusion and formation of the interface structures metal/graphene (is carried out by Me:Cu, Ru / G), their destruction, as analog of melting in low-dimensional systems.
Keywords: interface graphene/metal, parameter of incommensurability , corrugation defect.

THE TEMPERATURE DEPENDENCE OF THE SURFACE POTENTIAL OF pTYPE MONOCRYSTALLINE SILICON – 350 page.
V.K. Lyuev, I.V. Lyuev
Abstract: The real surface of the p-type monocrystalline silicon was studied by the method of surface photo-EMF in the temperature range T = 289 – 473 K. A significant difference between the surface electronic states spectra obtained by heating and cooling the samples was found. Heating causes gas desorption and dissociation of water molecules in the surface layer, which reduces the surface potential on the order.
Keywords: photo-EMF, surface potential, p-type silicon.

INFLUENCE OF CHEMICAL TREATMENT AND THE TEMPERATURE ON THE SURFACE POTENTIAL OF THE MONOCRYSTALLINE SILICON KDB-10 (111) – 354 page.
V.K. Lyuev, I.V. Lyuev
Abstract: The spectra of the surface photo-EMF at temperatures of T = 289 – 473 K after processing in 10 % HF solution was investigated. It has been shown that the removal of an oxide layer reduces the concentration of surface electronic states located at the interface between silicon and surface film. In addition, the concentration of electron states in the films themselves changes. Processing in HF and subsequent washing with water reduces the concentration of traps, exciting nonequilibrium holes that deforms photomemory surface potential.
Keywords: monocrystalline silicon, surface potential, KDB-10.

ON THE DEPENDENCIES OF THE MELTING PARAMETERS VERSUS NUMBER OF ATOMS IN THE SILICON NANOCRYSTAL  -358 page.
M.N. Magomedov
Abstract: Using the results of the paper [Zhao, J. Crystallization of silicon nanoclusters with inert gas temperature control / J. Zhao, V. Singh, P. Grammatikopoulos et al. // Physical Review B. – 2015. – V. 91. – I. 3. – P. 035419-1-035419-12] for calculation dependencies of the melting temperature Tm and the temperature of the beginning of crystallization TN on the number of atoms N in the silicon spherical nanocrystal the dependencies on N for the next melting parameters of silicon nanocrystal were obtained: the jump of the melting entropy, latent heat of melting, the slope of the melting line, the jumps of the volume and the surface energy.
Keywords: silicon, nanocrystal, melting, crystallization, heat of melting, jumps of properties at melting.

THE PROCESSES OF OBTAINING «COMPLEX» FILMS ON ALUMINUM – 367 page.
E.S. Markaryan
Abstract: In this paper, we consider the processes occurring during the formation of «complex» films on aluminum. We prepared them according to the characteristic of the growth kinetics of a continuous film in a matrix of porous anodic oxide. The geometric parameters of the nanostructured aluminum oxide were obtained in the process of reanodizing.
Keywords: anodic aluminum oxide, growth kinetics, «complex film», growth rate, porosity.

ON THE RELATIONSHIP BETWEEN STRUCTURE AND THERMAL STABILITY PROPERTIES OF COPPER CLUSTERS SIZE UP TO 100 ATOMS IN MOLECULAR-DYNAMICS SIMULATION – 378 page.
V.S. Myasnichenko, P.M. Ershov, N.Yu. Sdobnyakov, D.N. Sokolov
Abstract: In this paper a molecular-dynamics simulation of the structure and thermal stability of the copper clusters size up to 100 atoms has been carried out using many-body tight-binding potential. On the basis of the calculation of a local minimum energy for copper clusters it the «magic» nanoclusters can be found which are more stable. The size dependencies of the thermodynamic and structural characteristics for such clusters demonstrate specific behavior. 
Keywords: molecular dynamics, tight-binding potential, copper nanoclusters, melting temperature, magic clusters.

EFFECT OF PLASMA TREATMENT ON THE SURFACE COMPOSITION OF SAPPHIRE – 391 page.
R.R. Nagaplezheva, A.M. Karmokov, B.N. Nagoev, M.M. Uyanaeva, V.K. Luev
Abstract: The plasma treatment of the surface of sapphire was performed. The composition of the sapphire surface before and after plasma treatment by X-ray photoelectron spectroscopy (XPS) is discussed.
Keywords: plasma, sapphire, XPS.

A GRAPH MODEL OF THE ENTHALPY OF FORMATION CALCULATION FOR ALKANES C11H24 WITH RESPECT OF MULTIPLE NON-VALENCE INTERACTIONS IN THREE ATOMS ALONG THE CHAIN – 391 page.
D.Yu. Nilov
Abstract: For the first time, a series of 159 C11H24 alkanes was proposed. A graph scheme containing 13 constants was obtained for evaluation of thermodynamic properties of branched saturated hydrocarbons.
Keywords: graph model, enthalpy of formation, multiple non-valence iteractions.

MODIFICATION OF LITHIUM TANTALATE CRYSTALS BY HIGH-TEMPERATURE TREATMENT OF VTE – 393 page.
M.N. Palatnikov, O.B. Shcherbina, N.V. Sidorov, S.V. Drogobuzhskaya
Abstract: The appearance of characteristical defects is demonstrated in lithium tantalate crystals treated by VTE (vapor transport equilibration) in lithium vapor. Raman spectra and mass spectrometry with inductively coupled plasma with laser ablation revealed existence of layers tens to hundreds microns thick with different Li / Ta ratio in modified lithium tantalate (LT VTE).
Keywords: lithium tantalate, VTE (vapor transport equilibration), mass spectrometry, inductively coupled plasma, laser ablation, Raman spectroscopy, Curie temperature, stoichiometry.

DISCRETE MODELING AT THE ATOMIC-MOLECULAR LEVEL OF MECHANICAL PROCESSES IN NANOCOMPOSITES – 400 page. 
V.I. Repchenkov, Y.E. Nagorny, A.V. Akavity
Abstract: An analysis of the quadratic force fields at the interfaces in composites is presented.
Keywords: composite materials, carbon nanotubes, covalent bonds, non-bonded connection, interface, normal and tangential stresses.

MOLECULAR DYNAMICS MODEL OF THE TECHNOLOGY OF AMORPHOUS METAL FILMS PRODUCTION BY CONDENSATION ON THE COOLED SUBSTRATE – 407 page.
V.M. Samsonov, S.A. Vasilyev, A.G. Bembel
Abstract: A computer molecular dynamics program has been developed which makes it possible to imitate processes of thin film and epitaxial technologies. The program was approbated on the technology of amorphous metal films production by means of condensation on cooled substrate. It has been found that even at high cooling rates from 300 to 4 K (helium temperature) the silver atom beam forms amorphous films whereas the gold atom beam forms amorphous film under the same cooling conditions. The results obtained agree with the results of direct experiments demonstrating that bulk silver does not transfer into the amorphous state even at maximal available cooling rates.
Keywords: amorphous metal films, method of condensation on cooled substrate, molecular dynamics.

ON ALTERNATIVE APPROACHES TO DETERMINATION OF RADIUS AND OTHER GEOMETRIC CHARACTERISTICS OF NANOPARTICLES -413 page.
V.M. Samsonov
Abstract: The concept of the nanoparticle radius has been analysed and its relationship with the number of molecules (atoms) the particle consists of. A conclusion has been made that in most cases the radius of the equimolecular dividing surface can be used as an adequate measure of the particle size.
Keywords: nanoparticle, radius, equimolecular dividing surface, nanoclusters, Gibbs method of surface phases, Wigner-Seitz radius, gyroscopic radius.

ON BOUNDARY WETTING CONDITIONS FOR ROUGH SOLID SURFACE – 425 page.
M.V. Samsonov, V.M. Samsonov
Abstract: An equation has been obtained for the equilibrium contact angle on the rough surface. Contrary to the Wenzel-Deryagine equation, our equation takes into account the difference between the values of the surface tension of a rough surface and the corresponding smooth one. It has been shown that the conventional expression for the work of adhesion to the rough surface seems to be incorrect. An alternative expression was proposed and analyzed.
Keywords: equilibrium contact angle, rough surface, Wenzel-Deryagine equation, work of adhesion.

EVALUATION OF THE PROPORTIANALITY COEFFICIENT IN RUSANOV`S FORMULA FOR THE SURFACE TENSION ON THE BASIS OF COMPUTER SIMULATION OF NANOPARTICLES – 431 page.
N.Yu. Sdobnyakov, V.M. Samsonov, A.N. Bazulev, D.A. Novozhilova
Abstract: A method is proposed to calculate the proportionality coefficient K in Rusanov’s linear formula  σ = KR for the surface tension of a small object using the size dependence of the specific total surface energy ε(R), where R is the particle radius. Contrary to σ(R), the ε(R) dependence be can easily enough found via computer simulation results.
Keywords: Rusanov’s formula for the surface tension of nanoparticles, conditions of thermodynamic stability for nanoparticles and nanoconstructional materials.

ON THE TECHNIQUE OF THE EVALUATION OF THICKNESS DEPENDENCES OF REFRACTIVE INDEX FOR NANOSIZED LIQUID FILMS BY ELLIPSOMETRIC METHOD – 444 page.
N.Yu. Sdobnyakov, N.V. Novozhilov, A.S. Antonov, E.A. Voronova, O.V. Mikhailova
Abstract: On the basis of the spectrum analysis of ellipsometric angles ψ and Δ, the technique of the evaluation of the thickness dependence of the refractive index for nanosized liquid films is outlined using the photometric spectroellipsometry.
Keywords: photometric spectroellipsometer, nanosized liquid films, refractive index, thickness dependence.

INFLUENCE OF CALCINATION TEMPERATURE ON STRUCTURAL CHANGES OF NANOSIZED ZIRCONIA – 450 page.
D.G. Selemeneva, A.A. Kravtsov, A.V. Blinov, M.A. Jasnaja
Abstract: The synthesis of nanosized zirconia by sol-gel method was performed. The optimal conditions for stable ZrO2 gel was determined, and then was set a point of gelation. Obtained samples of zirconia nanoparticles were studied by infrared spectroscopy and XRD analysis. Acid-base properties of the surface of the samples were studied by indicator method.
Keywords: sol-gel method, ZrO2 nanoparticles, infrared spectroscopy, X-ray difraction analysis, indicator method.

STUDY ON THE MICRO- AND NANOSTRUCTURE OF NdPrGdDyTbFeCoBAl PERMANENT MAGNETS – 456 page.
E.M. Semenova, M.B. Lyakhova, А.I. Ivanova, А.А. Lukin, Yu.V. Kuznetsova, D.Yu. Karpenkov
Abstract: Microstructure, phase composition and nanostructure of NdPrGdDyTbFeCoBAl permanent magnets were investigation by optical, electron and scanning probe microscopy. The parameters of the microstructure and of the magnetic domain structure and elemental composition of the phases of the permanent magnets type R2M14B ( R = Nd,Pr,Gd,Dy,Tb: M = Fe,Co,Al) were determined. The correlation between the hysteresis characteristics and micro- and nanostructure of the magnets was defined.
Keywords: permanent magnets, high coercivity state, microstructure, nanostructure, magnetic properties.

EFFECT OF SOLID COMPONENT OF DIFFUSION-HARDENING SOLDERS ON PROPERTIES OF CONNECTING LAYER – 463 page.
V.M. Skachkov, S.P. Yatsenko, L.A. Pasechnik, N.A. Sabirzyanov
Abstract: The article provides new formulations of gallium-based composite alloys. The influence of the composition of powder filler on the structure and properties of solder for the purpose of obtaining unique properties and expansion of areas of their use is investigated.
Keywords: diffusion-hardening composite alloys, solders, filler, structure, properties.

EFFECT OF THE CONTENT TUNGSTEN ON THE MECHANICAL PROPERTIES AND THERMAL STABILITY OF COMPOSITE MATERIAL BASED ON POLYSTYRENE – 471 page.
A.V. Smirnov, I.A. Gorbachev, I.V. Sinev
Abstract: The influence of the composition of the composite tungsten-polystyrene on its micro hardness and heat resistance was investigared. It is shown that the introduction of micropowder tungsten into the volume of polystyrene matrix results in the linear increase in the microhardness of the composite in the range of 0-3 vol. %. Further increasing the concentration of tungsten up to 30 vol. %, also results in the linear increase in the microhardness, but with a smaller slope. Thermal stability of samples monotonically depends on the concentration of tungsten and has a maximum at 10 vol. %.
Keywords: metal-polymer composite, micro hardness, thermal stability, thermogravimetry.

THE CHANGING OF GLASS PROPERTY SURFACE LAYERS, PROCESSED IN MELT SALT – 479 page.
Yu.K. Startsev
Abstract: Analysis of experimental data, pursuing the goal of either the glass strengthening for different purposes, or get on their surface property gradient layers for various purposes, allowed the author to offer closed physical-chemical model of the glass property changing and calculation algorithm, called coordination relaxation model. Fragmented information accumulated in the two applications of surface glass layer property changing, able to understand and explain under the proposed model, allowing to describe and to predict quantitatively values of the changes of the basic properties of glass.
Keywords: chemical hardening glass, gradient glass, glass property modeling.

PHENOMENOLOGICAL DESCRIPTION OF VITRIFICATION AND STRUCTURAL RELAXATION PROCESSES – 494 page.
Yu.K. Startsev
Abstract: Analysis of characteristics of relaxation processes of vitrification and their known phenomenological descriptions was done. A detailed examination of the microscopic description of vitrification and nature of atomic dynamics in glassy materials led the author to the conclusion that physical-chemical functions of fractional exponents, widely used for the spectrum of structural relaxation times.
Keywords: glassy state, relaxation processes, stretched exponent.

INVESTIGATION OF THE FORMATION PROCESSES OF URANIUM AND ALUMINUM OXIDES NANOCLUSTERS ON THE SURFACE OF OXIDIZED ALUMNUM USING DOUBLE LASER PULSES – 505 page.
D.S. Umreiko, А.I. Komyak, Е.V. Vileishikova, А.P. Zajogin
Abstract: This work presents the results obtained in studies of the production of variable valence uranium oxides at the surface of oxidized aluminum under irradiation by double laser pulses. The well developed aluminum surface activated by uranium oxides was produced with the use of a LSS-1 multichannel laser atomic-emission spectrometer with double pulses.
Keywords: spectral analysis, uranium complexes, laser atomic-emission spectrometry, double laser pulses.

THE EFFECT OF CALCIUM NITRATE ON THE PHOTOCHEMICAL FORMATION PROCESSES OF URANIUM NANOCLUSTERS IN THE SOLUTIONS OF URANYL PERCHLORATE IN ACETONE – 509 page.
D.S. Umreiko, А.I. Komyak, Е.V. Vileishikova, А.P. Zajogin
Abstract: Using the electron absorption method, the effects exerted by the physical and chemical properties of calcium nitrate solutions on the photopolymerization processes of acetone and on the photochemical nanocluster formation due to the tri-, tetra-, and pentavalent uranium complexes with organic ligands have been studied on LED-illumination of UO2(ClO4)2•5H2O solutions in acetone over the region 420-440 nm. The process patterns have been established.
Keywords: uranium, cations of metal, photochemical activity, electronic absorption spectra, acetone.

CHANGING THE SHAPE AND STRUCTURE OF COPPER NANOCLUSTERS SYNTHESIZED FROM THE GAS PHASE – 515 page.
I.V. Chepkasov
Abstract: To analyze thermal effects on the shape and structure of the synthesized copper nanoparticles, their smooth heating in the temperature range from 100 to 1200 К was produced. It was concluded that as a result of short-term heating, there was a significant ordering of the internal structure of 70 % of agglomerated nanoparticles with the preferential formation of spherical shape.
Keywords: computer simulation, copper nanoparticles, the structure, the gas phase.

SYNTHESIS AND STUDYING OF ACID-BASE PROPERTIES OF TiO2 – Ag NANOCOMPOSITE – 519 page.
M.S. Shama, A.A. Kravtsov, A.V. Blinov, M.A. Jasnaja, D.G. Selemeneva
Abstract: This article is devoted to studying the acid-base properties of the surface of titanium dioxide and Ag nanocomposite based on it (TiO2 modified nanosize silver) synthesized by sol-gel method.
Keywords: TiO2 nanoparticles, nanocomposite TiO2 – Ag, the sol-gel method, acid-base properties, the indicating method.

STRUCTURE, MICROHARDNESS AND THERMAL STABILITY OF RAPIDLY SOLIDIFIED Bi31Sn34Pb35 ALLOY – 527 page.
V.G. Shepelevich
Abstract: Results of investigations of structure, microhardness and stability of rapidly solidified Bi31Sn34Pb35 alloy are presented. Textured ε- phase and dispersive Sn and Bi particles are forming in rapidly solidified alloy. Ageing of foil course change of structure and increase of microhardness take place at the room temperature.
Keywords: rapid solidification, foil, alloy, phase, texture, microhardness, lead, tin, bismuth, ageing.

CONSTRUCTIVELY TECHNOLOGICAL PRINCIPLES OF CAPACITIVE HUMIDITY SENSING Al2O3 NANOSTRUCTURES AND SENSITIVE PARAMETERS STUDY – 533 page.
D.L. Shimanovich
Abstract: Volumetric-surface variants of capacitive MDM (metal-dielectric-metal) structures of the vertical direction based on high-ordered matrices of free anodic porous alumina membranes for applications in humidity sensing elements were designed. The improved humidity sensitivity, reduced response and recovery time over a wide humidity range were obtained due to preparing of alumina membranes with open-ended and widened pores without the barrier layer. Such technological approach allows to eliminate the effect of electrolyte anions embedded in pore walls on adsorption and desorption processes in humidity sensing elements.
Keywords: aluminum, electrochemical anodization, porous alumina, barrier layer, membrane, nanostructured material, humidity sensing element, adsorption, response time, recovery time, sensitivity.

MODELLING OF THE COPPER CLUSTER’S GROWTH: TOPOLOGICAL DESCRIPTION, STABILITY AND OCCURRENCE IN INTERMETALLICS – 541 page.
A.A Esser, V.S Myasnichenko, L.A. Myasnichenko, N.Yu. Sdobnyakov
Abstract: In this paper, we study the structure of the modeled copper clusters containing up to 100 atoms. The most stable configuration were determined by calculating the internal potential energy with using the Cleri-Rosato many-body potential. Using ToposPro we have performed the topological analysis of the Cu– Cu100 clusters, as a result one can see that the modeled clusters have the certain types of internal polyhedral cores. With increase of the size of the nanoclusters their occurrence in intermetallics monotonically decreases. The sequential topological growth of copper nanoclusters with internal icosahedron was realized only in certain size ranges.
Keywords: cluster, intermetallic compound, structure, topology.

THE SIZE DEPENDENCE OF SURFACE TENSION AND HOMOGENEOUS NUCLEATION OF CRYSTALS – 548 page.
V.M. Yurov
Abstract: In this paper we show that, despite various modifications and clarifications of the classical theory of nucleation, it is far from matching the experimental and theoretical data. The main reason for this is due to not taking into account the size dependence of the surface tension of the emerging centers of crystallization. For many metals the critical radius of the homogeneous crystal formation were calculated.
Keywords: crystallization center, surface tension, critical radius.

ФХ-2014 обложка (итоговый вариант)

INFLUENCE OF MELT OVERHEATING NAPHTHALENE, DIPHENYL AND DIBENZYL ON CRYSTALLIZATION – 4 page. 
V.D. Aleksandrov, O.A. Pokyntelytsia
Abstract: A sharp change in naphthalene, diphenyl, and dibenzyl crystallization behavior from the equilibrium without overcooling to the nonequilibrium-explosive with overheating was determined by thermoanalysis. The crystallization behavior depends on liquid phase overheating relative to the melting temperature. An average amount of the overheating that practically does not depend both on further overheating and number of heating – cooling cycles were calculated. A range of kinetic and thermodynamic parameters of crystallization was calculated using thermograms. By X-ray diffraction and optical microscopy changes in crystal structure were detected depending on the type of crystallization.
Keywords: naphthalene, diphenyl, dibenzyl, thermal analysis, melt overheat, subcooling, equilibrium and nonequilibrium crystallization, crystal structure, crystallization parameters.

ON THE TECHNIQUE OF PREPARING SAMPLES TO STUDY FRACTAL DIMENSION AND ELECTRICAL PROPERTIES OF SAMPLES USING A SCANNING TUNNELING MICROSCOPE – 15 page.
A.S. Antonov, O.V. Mikhailova, E.A. Vorovova, N.Yu. Sdobnyakov
Abstract: In this paper the technique of preparation of samples for the study of fractal dimension and obtaining the current-voltage characteristics using a scanning tunneling microscope has been demonstrated.
Keywords: sample preparation, scanning tunneling microscopy (STM), fractal dimension, current-voltage characteristics.

COMPUTER MODELLING METHODS FOR PREDICTING PERFORMANCE OF CATHODE MATERIALS FOR LITHIUM-ION BATTERIES – 22 page.
M.Yu. Arsent’ev, P.A. Tikhonov, M.V. Kalinina, T.L. Egorova, A.V. Shmigel
Abstract: Electrical conductivity, in particular ionic conductivity, is one of the major obstacles for further improvement of lithium-ion batteries and is expected to remain so in the foreseeable future. Without the high ionic conductivity of LiCoOit would not be possible to create Li – ion batteries based on it. Computer simulation is an important and critical component for the search of the best materials for Li-batteries. Increasing productivity while maintaining the accuracy of the calculations is the main condition for the selection of materials. In this study, we propose a new method based on the combined use of methods of crystal analysis and density functional theory. This method allows to plot topologies of the most energetically favorable migration paths and to analyze the value of the radius of channels without the use of resource-intensive computations.
Keywords: lithium ion batteries, supercapacitors.

THE POLYSCALE TRANSFORMATION FEATURES IN THE STEELS AND ALLOYS STRUCTURES AT THE HOT PRESS CONDITIONS – 29 page.
B.K. Barakhtin
Abstract: The results of the FSS steels and alloys hot pressing at  T>0.5 Tmelt and range  from 10  to  10 -3 s-1 are presented. At  σ(ε) maps the auto oscillations stress were revealed. The dissipative mechanical energy estimates and structure investigations results have showed to auto oscillations by non equilibrium deform simultaneously at micro-, mezo- and macroscopic structures levels had caused. The structures transformations are self-organized as oscillation form on the chemical composition and the hot pressure regimes dependence.
Keywords: hot plastic deform, non equilibrium, mechanical energy dissipation, oscillation, structure self-organization.

FORMATION OF HYBRID CARBON  SP2 AND SP3  PHASES FROM  GRAPHENE LAYERS  L4-8 -41 page.
E.A. Belenkov, M.I. Tingaev
Abstract: In this paper research of carbon compounds is connected, which can be obtained as a result of partial cross-linking of graphene layers  L4-8 . It is established that after cross-linking and geometry optimization of graphene layers  L4-8 only diamond-like phase or the original graphene layers  L4-8 can be obtained.
Keywords: carbon, diamond, graphene, crystalline structure.

BAND STRUCTURE CALCULATIONS OF GRAPHENE POLYTYPES – 47 page.
E.A. Belenkov, A.E. Kochengin
Abstract: In this paper optimized structure of graphene layers L6, L3-12L4-8, L4-6-12, and their band structure were calculated geometrically and by DFT.
Keywords: graphene, polytypism, band structure, modeling.

ELECTRONIC STRUCTURE OF LAYERED COMPOUNDS WHICH CONSISTS OF TWO- AND TRICOORDINATED CARBON ATOMS – 53 page.
T.E. Belenkova, V.M. Chernov
Abstract: In this paper the electronic structure of five major structural modification of graphyne: α-,β1-. β2-.  γ1- and γ2- graphyne were calculated by method of density functional theory.
Keywords: polymorphism, carbon, graphene, graphyne, electronic structure, modeling.

FRACTAL STRUCTURE OF TITANIUM NITRITE DEPOSITED ON STAINLESS STEEL SUBSTRATE  – 59 page.
Yu.V. Brylkin
Abstract: On the basis of images obtained using scanning tunneling microscope, it was shown that the fractal dimension can be considered as some universal surface characteristic of the titanium nitrite, deposited on stainless steel.
Keywords: fractal, scanning tunneling microscopy, surface topology.

MODEL OF CRYSTALLIZATION AS THERMODYNAMICAL PARAMETERS FLUCTUATION – 66 page.
A.A. Burtsev
Abstract: In this thesis self-organization processes under crystallization of sodium hydroxide  while drying droplets of different volumes on a glass substrate has been investigated. Similar complex crystal structures arise in the action of laser radiation on the surface of metals. Theoretical model includes the mathematical description of non-stationary fluctuations of thermodynamical parameters.
Keywords: change of phase, crystallization, dendritic arborescent crystals, fluctuations.

N-DIAMOND: BOND MECHANICS – 74 page.
S.A. Voropaev, A.Yu. Dnestrovsky, E.A. Podolskaya, N.V. Dushenko
Abstract: Results of the synthesis of -diamond in experiments with cavitation in carbon containing liquids are presented. A mechanical model of the chemical bonds between carbon atoms in the diamond with the availability of a stable FCC crystal lattice structure is developed.
Keywords: diamond, n-diamond, FCC-carbon, cavitation, the interaction potential.

OBTAINING METAL COVERINGS AND THEIR PROPERTIES STUDYING – 82 page.
Е.S. Gerasimova, Е.V. Vladimirova, В.G. Vasilyev, Т.S. Karpova, A.Sh. Haliullina
Abstract: Properties of metals films ( Cu, Fe, Ni, Co ) obtained by thermohydrolysis in the recovery atmosphere on different bases are studied.
Keywords: Cu, Fe, Ni, Co  covering, thermohydrolysis, morphology, phase composition, X-ray diffraction method, electron microscopy.

«STRUCTURE OF ALKYNES  C2H2– C9H16 HEAT OF VAPORIZATION» CORRELATION – 87 page.
V.V. Grebeshkov, V.M. Smolyakov
Abstract: To investigate the quantitative correlation «structure of 132 alkynes C2H2– C9H16-property», topological indexes χ Randich and  Δiwere used. Then using the two-parameter functions, quantitative correlation «structure of alkynes – property» are investigated According to the obtained formulas, numerical calculations of the heats of vaporization were found for alkynes LHTK C2H2– C9H16 at normal boiling point  not studied experimentally.
Keywords: topological index, alkynes, heat of vaporization, correlations «TI-alkyne property».

MODELING OF CLUSTERS Bi8-nSb– 95 page.
E.N. Gribanov, O.I. Markov, Yu.V. Khripunov
Abstract: In this paper results of calculations by quantum-chemical methods of structure and power parameters of nanoclusters of bismuth-antimony Bi8, Bi7Sb1, Bi6Sb2, Bi5Sb3, Bi4Sb4, Bi3Sb5, Bi2Sb6, Bi1Sb7, Sbare presented.
Keywords: cluster, bismuth, antimony semiconductor – semimetal transition.

SIZE EFFECT OF TEMPERATURE ON CONTACT MELTING OF SMALL-DIMENSIONAL PHASES – 101 page.
O.V. Gudieva, D.A. Kambolov, P.K. Korotkov, V.A. Sozaev
Annotation: The attempt to derive the relation for the temperature of contact melting of small-dimensional phases (nanoparticles, nanofilms) has been made with account for the A.I. Rusanov size dependence of the surface tension of nanoparticles.
Keywords: size effect, surface energy, temperature of contact melting, nanofilms, nanoparticles, nanowires.

QUANTUM CHEMICAL DESIGNING OF ENDOHEDRAL CONTAINING INDIUM DERIVATIVES OF BUCKMINSTER FULLERENE C60 AND  C70 FOR DEVELOPMENT RADIONUCLIDE NANOSIZED AGENTS THAT DESTROY A TUMOR – 105 page.
Е.А. Dikusar, V.М. Zelenkovskii, А.L. Pushkarchuk, V.I. Potkin, D.А. Rudakov, S.J. Kilin, А.G. Soldatov, S.А. Kuten, A.N. Khmialeuski, L.F. Babicheu
Abstract: In this work a simulation was performed of the electronic structure and geometry of endohedral containing indium derivatives of Buckminster fullerene C60 and  C70    and monoester – a heterocyclic carboxylic acid derivative.
Keywords: electronic structure simulation, endohedral containing Indium derivatives of Buckminster fullerene, agents that destroy a tumor.

PHOTOINDUCED CHANGES OF OPTICAL CONSTANTS IN CHALCOGENIDE GLASS SEMICONDUCTORS – 116 page.
V.I. Ivanov, S.R. Simakov
Abstract: The results of an experimental research of the photoinduced optical constants change in As2Sefilms are described at different temperatures of exhibiting. It is shown, that the basic experimental dependences describing photoinduced changes of optical constants are coordinated with model of the microheterogeneous environment with a local warming up of microareas.
Keywords: chalcogenide semiconductors, photoinduced changes, optical constants.

DYNAMIC HOLOGRAMS EFFICIENCY IN A NANOSUSPENSION – 122 page.
G.D. Ivanova, S.I. Kirjushina, A.V. Mjagotin
Abstract: A theoretical analysis of the dynamic holograms efficiency in the dispersion liquid medium with electrostrictive nonlinearity is carried out. The amplitudes of the first harmonics depends on the intensity of the light at a nonlinear regime.
Keywords: electrostriction, dispersion liquid, dynamic holography.

PROPERTIES OF AMORPHOUS NANO-SILICA OBTAINED BY PULSED ELECTRON EVAPORATION – 126 page.
V.G. Ilves, S.Yu. Sokovnin, A.M. Murzakaev
Abstract: In this work the amorphous nanopowder SiO2 with a specific surface 154  m2/g was produced by the method of pulsed electron beam evaporation of target from pyrogenic amorphous NP Aerosil 90 (90 m2/g). Nanoparticles of NP SiO2 showed the improved magnetic and thermal properties in comparison with NP Aerosil 90. Possible reasons of emergence  dº ferromagnetism at the room temperature in amorphous NP  SiOare discussed.
Keywords: pulsed electron beam, nanopowder SiO2 , Aerosil 90, dº ferromagnetism SiO2.

CALCULATION OF SURFACE TENSION ISOTHERMS, ADSORPTION AND SURFACE CONCENTRATIONS OF ALLOY COMPONENTS OF BINARY  LITHIUM SODIUM SYSTEM IN SOLID STATE – 133 page.
Z.Kh. Kalazhokov, Zaur Kh. Kalazhokov, R.I. Khatsukova, E.Kh. Sherieva, Kh.Kh. Kalazhokov
Abstract: It is suggested a method to estimate  values of surface thermodynamic parameters: surface tension, adsorption and surface concentrations of components in solid state by the electron work function. In the example of Li-Na system was shown that sodium is surface active with regard to lithium in solid state, and the values of some parameters in solid state exceed several times the appropriate parameters in liquid state.
Keywords: surface tension, adsorption, work function, surface concentration.

INVESTIGATION OF ELECTROPHYSICAL PROPERTIES OF LEAD SILICATE
GLASSES C87-2 – 138 page.
A.M. Karmokov, O.A. Molokanov, O.O. Molokanova, Z.V. Shomakhov
Abstract: We experimentally investigated the temperature dependence of the electrical conductivity and the kinetics of lead-silicate glass C87-2. The influence of mass transfer under the influence of an electric field on the electrical conductivity was also. evaluated via the dependence of the size of  nanocrystals on the time of isothermal annealing.
Keywords: isothermal annealing, kinetics of the conductivity of lead-silicate glass, structural transformations, specific conductivity, phase formation, the activation energy of conduction.

IMPURITY REDISTRIBUTION IN THE ALUMINUM MELT RESULTING ACOUSTIC IMPACT – 144 page.
R.Yu. Karmokova, A.M. Karmokov
Abstract: In this paper a study of redistribution of impurities after aluminum acoustic impact frequency of 5 and  15kHz on its melt is performed.
Keywords: aluminum, acoustic impact, cavitation bubbles segregation.

POLYTHERMS OF ANGLES OF WETTING OF POROUS NICKEL BY TIN-BARIUM AND INDIUM-SODIUM MELTS – 149 page.
A.Z. Kashezhev, R.A. Kutuev, A.R. Manukyants, M.Kh.Ponegev, V.A. Sozaev, A.Kh. Shermetov
Abstract: The polytherms of angles of wetting of the porous carbonyl nickel (with 30% porosity) by tin-barium and indium-sodium melts have been studied for the first time. The temperature thresholds of the beginning of wetting have been discovered: T>475ºC in case of tin-barium melts and T>250ºC in case of indium-sodium ones. The bunch-shaped arrangements of intermetallics In8Na5 with sizes 7-9 microns have been revealed on the surface of the porous nickel wetted by the melt In-0,5 wt.%  using the raster electron microscopy.
Keywords: angles of wetting, polytherms, tin-barium and indium-sodium melts, porous nickel, morphology of surface.

NANO-STAGE MECHANISM OF CRYSTAL NUCLEATION KINETICS FROM LIQUID PHASE – 155 page.
B.I. Kidyarov
Abstract: The set of experimental data, vouched for crystal nucleation by stages from liquid phase, has been collected. The initial stage includes a formation some metastable phase, and last stage – a formation of stable phase. The influence of such crystal nucleation mechanism on process kinetics and formation of defect or perfect crystals has been noted.
Keywords: nucleation, nano-stage mechanism, metastable and stable phases, melting-crystallization temperatures, dimensional dependence.

STRUCTURAL-PHASE STATE OF THE SURFACE LAYER OF AI-SI ALLOY AFTER ELECTRON-ION-PLASMA TREATMENT – 162 page.
A.A. Klopotov, Yu.F. Ivanov, E.A. Petrikova, A.D. Teresov, V.E. Gromov, E.A. Budovskih
Abstract: The results of silumin surface modification by combined method including irradiation by plasma produced in the electric explosion of conductive material followed by a pulsed electron beam treatment are presented. The formation of a multilayer polyphase sub-micro and nanoscale structure with high mechanical and tribological properties is revealed. The results obtained are discussed from the viewpoint of thermodynamics.
Keywords: silumin, electroexplosive alloying, high-intensity pulsed electron beam, structure, properties, phase diagram.

SURFACE PHOTOEMISSION OF THE  K/W(100) SYSTEM UNDER  – 171 page.
M.V. Knat’ko, M.M. Lapushkin
Abstract: The coadsorption of potassium and oxygen on W(100) by the threshold photoemission spectroscopy was studied. It is shown that coadsorption of potassium and oxygen on the W(100) leads to the formation a dielectric layer with a possible stoichiometry K2O2.
Keywords: threshold photoemission spectroscopy, adsorption, surface states, metal oxides.

STUDY OF DISPERSION PHENOMENA OF A NANOSTRUCTURED SHUNGITE ROCK – 178 page.
S.V. Kovalevskii, I.E. Kalashnikov
Abstract: Dispersion phenomena of a nanostructured shungite rock have been studied in different fluids. Dispersion was shown to be useful for classification of nanostructured shungite rocks by specified constituents and can be suggested as pretreatment techniques for obtaining of filling and modifying agents and using those in metal-matrix composite materials.
Keywords: shungite rock, nano-structurization, metall-matrix composites, dispersion, X-ray diffraction analysis, Raman spectroscopy, electron microscopy.

LASER SYNTHESIS AND OPTICAL DIAGNOSTICS OF SILVER PLASMONIC NANOSTRUCTURES ON THE GLASS SURFACE – 186 page.
K.V. Kozadaev, V.K. Goncharov, A.P. Mikitchuk, M.A. Prohorovich
Abstract: The present paper is dedicated to description of formation method for surface silver nanostructures during the laser erosion of metal target under atmospheric pressure. The obtained monolayer of silver nanoparticles is investigated by implementation of the methods of SEM, AFM and spectral analysis of PPR band.
Keywords: laser synthesis, monolayer of silver nanoparticles, surface plasmon resonance.

DETERMINE THE OPTIMUM PARAMETERS OF THE SYSTEM FOR CREATING GOLD NANOSCALE CONTACTS BETWEEN TRACKS OF NANOSCALE BUSES – 193 page.
A.Yu. Kolosov, D.N. Sokolov, N.Yu. Sdobnyakov, M.A. Kharitonova
Annotation: The simulation of the creating gold nanoscale contacts between tracks of nanoscale buses for different system configurations by Monte-Carlo method was carried out. The interaction between nanoparticles was described by many-body Gupta potential. The optimum parameters for creating nanoscale contacts between tracks of nanoscale buses have been determined. The final stable structure of nanoscale contacts has been analyzed.
Keywords: nanoscale contact, gold nanoparticles, coalescence, Monte-Carlo method, Gupta potential, phase transition, stability.

THERMAL DECOMPOSITION OF POLYMER COMPOSITE OF POLYTETRAFLUOROETHYLENE AND DETONATION NANODIAMONDS – 202 page.
A.P. Koscheev, P.V. Gorokhov, A.A. Perov, C.A. Khatipov
Abstract: The effect of nanodiamond filler on the thermal decomposition of polytetrafluoroethylene composites under vacuum pyrolysis was studied by means of thermodesoption mass spectrometry. The results indicate that the presence of nanodiamonds affects both the temperature profiles and the chemical composition of decomposition products.
Keywords: polytetrafluoroethylene composites, detonation nanodiamond, thermal destruction, thermodesorption mass spectrometry.

EFFECT OF SURFACE CHEMISTRY OF NANODIAMOND FILLER ON THE PROPERTIES OF POLYTETRAFLUOROETHYLENE COMPOSITES – 208 page.
A.P. Koscheev, A.A. Perov, P.V. Gorokhov, A.V. Tereshenkov, N.A. Chukov, S.A. Khatipov
Abstract: The tribology properties of polymer composites of polytetrafluoroethylene filled with detonation nanodiamonds of various types were studied. The composite properties were found to depend on the oxygen-containing groups on nanodiamond surface. The direct evidence of chemical interaction of nanodiamond with polymer matrix during preparation (sintering stage) of composite was obtained.
Keywords: polytetrafluoroethylene composites, nanodiamond, surface chemistry, thermodesorption mass spectrometry.

ELECTROCHEMICAL DEPOSITION OF CALCIUM PHOSPHATE COATINGS ONTO TITANIUM AND CARBON SUBSTRATES – 214 page.
V.K. Krut’ko, A.I. Kulak, O.N. Musskaya, L.A. Lesnikovich, S.A. Ulasevich
Abstract: The calcium phosphate coatings on titanium and carbon (fabric, felt) substrates have been obtained using electrochemical deposition in  water electrolyte at рН  3,2-3,6 and room temperature. In accordance with XRD data it was determined that the calcium phosphate coatings consist of brushite CaHPO4•2H2O, α-tricalcium phosphate Ca3(PO4)2  and additional amount of octacalcium phosphate phase Ca8H2(PO4)6•5H2on carbon substrates.
Keywords: calcium phosphates, biocompatible coatings, electrodeposition.

ELECTRON-STIMULATED OXIDATION OF THE SURFACE POLYCRYSTALLINE THALLIUM – 220 page.
D.A. Krimshokalova, I.B. Ashkhotova, O.G. Ashkhotov
Abstract: In this paper, using Auger electron spectroscopy and electron energy-loss spectroscopy the kinetics of oxygen adsorption on thallium was studied in two cases: under continuous electron irradiation (100-1000 eV) and without depending on the exposure time in oxygen 10-6 at a partial pressure oxygen Torr  at room temperature.
Keywords: exposure, electrons, energy, spectroscopy, surface oxidation kinetics, radiation, adsorption, concentration, monolayer, thallium.

A STATIONARY THERMAL LENS RESPONSE OF A NANOLIQUID – 227 page.
A.I. Livashvily, G.D. Ivanova, V.K. Khe
Abstract: The stationary two-dimensional thermodiffusion in a two component medium in the Gaussian beam radiation field was analyzed. The expression for a thermo-lens medium response is obtained.
Keywords: thermal lens, thermodiffusion, two components medium.

STRUCTURE REFINEMENT PECULARITIES AND SOLID SOLUTION FORMATION IN THE CAST Cu-Fe ALLOU, SUBJECTED TO SEVERE PLASTIC DEFORMATION – 231 page.
A.V. Lukyanov, A.A. Churakova, A.V. Ganeev, V.D. Sitdikov, D.V. Gunderov
Abstract: The effect of high pressure torsion (HPT) on the microstructure of Cu-Fe 36% wt alloy has been studied. The initial Cu-Fe alloy has a dendritic structure, the length of dendrites is up to 100 µm. As a result of HPT (20 anvil rotations at 400ºC) the nanostructured state is formed. The average grain size of the -Cu and α-Fe  is 60 and 35 nm correspondingly. The refinement of α-Fe dendrites occurs, and a microstructure with  inclusions with a size from 0,1 to 5 µm distributed in the copper matrix forms. A volume fraction of the Fe phase reduces from initial 37% up to 15% after HPT. The concentration of copper in the lattice dissolved iron reaches 20%. Subsequent annealing at  700ºC for 1 hour results in some coarsening of  α-Fe particles, as compared to the state after HPT. However, the dendritic structure typical of the cast alloy does not recover; it remains dispersed with a size of α-Fe particles less than 20 µm. As a result of HPT the alloy microhardness increased from 1800 to 4000 MPa. The subsequent annealing at  T=700ºC decreased the microhardness to 2700 MPa, but this value is 1,5 times higher than that in the initial as‑cast state.
Keywords: nanocomposite, high pressure torsion deformation, Cu-Fe alloy.

ON THE DEPENDENCIES OF THE COEFFICIENT OF THERMAL EXPANSION VERSUS SIZE AND SHAPE OF NANOCRYSTAL – 239 page.
M.N. Magomedov
Abstract: A model of nanocrystal in the form of a rectangular parallelepiped with a variable surface shape (RP-model) is used to study of the dependencies of the coefficient of thermal expansion (αp) versus size and surface shape of the nanocrystal of the simple matter. The calculations for the nanocrystal of silicon have shown that αp increases at reduction N, moreover at reduction of the temperature the dependency αp(N) is increasing. At the isomorphous reduction N along isotherm of  the function  αp(N) at defined size (for cube N≈1125) passes from the negative into the positive field.
Keywords: nanocrystal, size, shape of the surfaces, thermal expansion.

FRACTAL ANALYSIS OF PHOTOINDICED LIGHT SCATTERING PICTURES IN  LiNbOCRYSTALS – 247 page.
D.V. Manukovskaya, N.V. Sidorov, M.N. Palatnikov, O.R. Starodub
Abstract: The dynamics of laser-induced defects in different layers of photoinduced light scattering (PILS) pictures in lithium niobate was researched by analysis of fractal dimension of PILS picture layers. Stoichiometric  LiNbOcrystal had different genesis. This method was compared with the method of measurement of PILS indicatrix opening angle. The transition of energy between PILS layers was detected.
Keywords: lithium niobate, photoinduced light scattering, laser-induced defects, fractal dimension.

FORMING DISSIPATIVE STRUCTURES IN POROUS ONODIC OXIDE OF ALUMINA – 253 page.
E.S. Markaryan
Abstract: In this paper we consider the processes of the formation of dissipative structures in porous anodic oxide on alumina. Using the theory of bifurcations due regularity of the formation oxide. Were obtained depending on the characteristic of the growth kinetics of anodic oxide. Spatio-temporal ordering is regarded as a self-oscillating and auto-wave processes.
Keywords: anodic aluminum oxide, growth kinetics, dissipative structures, bifurcation point.

PHASE TRANSITIONS IN THE FRUSTRATED ISING MODEL ON A SQUARE LATTICE WITH NEAREST NEIGHBOR INTERACTIONS – 261 page.
A.K. Murtazaev, M.K. Ramazanov, M.K. Badiev
Abstract: The phase transitions in the two-dimensional Ising model on a square lattice are studied using a replica algorithm, the Monte Carlo method, and histogram analysis with allowance for the next-nearest-neighbor interactions in the range 0.1≤r≤1.0. A phase diagram is constructed for the dependence of the critical temperature on the next-nearest-neighbor interaction.
Keywords: Monte Carlo, Izing model, phase transition, antiferromagnetic frustration.

MATHEMATICAL MODEL OF DIRECTED GROWTH OF THE REGULAR FCC CLUSTER WITH A CENTRAL ATOM – 267 page.
V.S. Myasnichenko, N.Yu. Sdobnyakov
Abstract: In this paper clusters of the FCC structure with short-range interaction forces between atoms have been considered. The interaction only between nearest neighbors has been taken into account. Algebraic relations for the number of atoms and the number of bonds between neighbors in the cluster have been obtained, it has been allowed to evaluate the surface energy of the cluster in an analytical form.
Keywords: FCC lattice, cluster, coordination number, surface.

CALCULATION OF STRESS-STRAIN STATE OF STRETCHING NANOTUBES WITH DEFECTS  – 273 page.
Y.Е. Nagorny, A.V. Akavity, V.I. Repchenkov
Abstract: This paper presents the results of numerical calculation and analysis of the stress-strain state of a regular straight single-walled open carbon nanotube with vacancies in tension.
Keywords: carbon nanotubes, defects, vacancies, stress-strain state.

MAGNETIC PROPERTIES OF GARNET  Y3Fe5O12 NANOCRYSTALS PREPARED BY COPRECIPITATION METHOD – 280 page.
Nguyen Anh Tien
Abstract: Yttrium iron garnet  Y3Fe5O12 nanocrystalline powders were synthesized by simultaneously dehydrating of hydroxide of iron (III) and yttrium, and then heating in the air environment. Garnet Y3Fe5O12 nanocrystals at the size of 30 nm formed after calcinating up to 775ºC had large saturation and high coercive force (H c =60 Oe).
Keywords: coprecipitation method, magnetic properties, nanocrystal, garnet ferrite,Y3Fe5O12 .

QUANTITATIVE CORRELATION «STRUCTURE DIALKENES  C4H6-C10H18 – THE HEAT OF VAPORIZATION»  – 287 page.
D.Yu. Nilov, V.M. Smolyakov
Abstract: To investigate the quantitative correlation «structure of 1012 dialkenes  C4H6-C10H18 – property» topological indices χGi=Gj and  were used. Using the two-parameter functions quantitative correlation «dialkenes structure – property» are investigated. According to the obtained formulas, numerical calculations of the heats of vaporization at normal boiling point LHTK dialkens C4H6-C10H18 not studied experimentally. Dependences «dialkenes structure – property» are considered
Keywords: topological index, dialkyl, heat of vaporization, correlations «TI-dialkyl property».

ATOMIC STRUCTURE OF CLUSTERS ZIRCONIUM ZrN MOLECULAR DYNAMICS SIMULATION – 295 page.
N.A. Pankin
Abstract: Various isomers of free clusters of zirconium ZrN (N=4÷15 ) were studied. The results were obtained using molecular dynamics simulation and many-body Clery and Rosato interaction potential. The average length and the binding energy, the coordination number and the frequency of occurrence of various isomers were calculated.
Keywords: clusters of zirconium, classical molecular dynamics, many-body potential, atomic structure.

NEW POTENTIAL OF INTERPARTICLE INTERACTION ON THE BASIS OF SHORT MODEL OF SPHERICAL SHELLS – 301 page.
G.G. Petrik
Abstract: Study of analytical and computational capabilities for the molecular model of spherical shells has been continued. New results have been obtained. It is found that two terms mainly contribute to the potential of spherical shells (eight contributions). Calculations show that for all values of model objects rigidity it is fully justified the complete replacement of adequate potential of spherical shells by the truncated potential corresponding to the interaction of near arc-“dipoles”. This makes it possible to apply more simple function for computer calculations.
Keywords: modeling, molecular model, potential of spherical shells, model potentials, parameters, singular points, truncated potential.

INTERFACE FORMING WITH MUTUAL SUPERPOSITION OF D-METAL CLUSTER SURFACES AND MONOLAYERS OF GRAPHENE, SILICENE AND GERMANENE – 311 page.
V.A. Polukhin, N.S. Mitrofanova, E.D. Kurbanova
Abstract: Analyzing MD simulation data on the thermic evolution of transition metal nanoclusters (transition metals: Pd, Ni ,Cu ) deposited on graphene substrates specificities have been revealed of such main factors of melting processes and premelting stage including as the nucleation and the kinetic activation of upper cluster shell fluidization and coordination transformation especially in contact interlayer zones of grain transition metals nanocluster/graphene interfaces with different cohesive energies. The following sharp thermostability decreasing of clusters as the consisting and functional interactive units of the whole effective electronic and catalytic systems has been also displayed.
Keywords: nanoclusters, MD simulation, interlayer surface zone (interface) of metal/graphene, graphene substrate.

STRUCTURAL AND TECHNOLOGICAL DEVELOPMENT OF SURFACE LAYERS OF SHAPE MEMORY MATERIALS. HIGH SPEED FLAME SPRAYING – 322 page.
P.O. Rusinov, Zh.M. Blednova
Abstract. A universal system for the preparation of nanostructured coatings with shape memory effect, a coating and the necessary post-processing are considered. Control parameters of the surface modification of steel material with shape memory effect, controlling the structural state of the material, are found.
Keywords: shape memory effect, high-speed flame spraying, nanostructure, nikelidtitanium

CORRESPONDING STATES LAW FOR SIZE DEPENDENCE OF MELTING TEMPERATURE – 330 page.
V.M. Samsonov
Annotation: Size dependence of the nanocluster melting temperature  Thas been analyzed using some similarity considerations and generalized Thomson’s formula Tm= Tm(∞)(1-α/R) where R is the particle radius, Tm(∞)  is the macroscopic melting temperature and  α  is a parameter having the dimension of length and being the reduction parameter for R . Using Thomson’s formula and extrapolation to Tm=0K, the parameter α was calculated for nanoclusters of several metals with different types of lattice. It has been found that in most cases this parameter is close in magnitude to the first coordination sphere radius.
Keywords: melting temperature, size dependence, metal nanoclusters, thermodynamic similarity theory.

SONOCHEMICAL IMMOBILIZATION OF NANOCLUSTERS OF MOLYBDENUM OXIDE ON THE NICKEL SURFACE – 335 page.
T.V. Sviridova, A.S. Logvinovich, A.V. Kondratjuk, D.V. Sviridov
Abstract: The paper deals with the sonochemical modification of the surface of galvanic nickel plating with nanoclusters resulting from the polycondensation of oxo-acid (with the use of the molybdic acid as the example). The results of the investigation of thus obtained metal-oxide film nanocomposite are presented.
Keywords: metal-oxide clusters, oligomers, molybdic acid, sonochemical synthesis, electrochemical nickel coatings.

САLCULATION OF THE HEAT OF FUSION AND THE HEAT OF FREEZING SIZE DEPENDENCIES FOR METAL NANOPARTICLES – 342 page.
N.Yu. Sdobnyakov, D.N. Sokolov, V.S. Myasnichenko, A.N. Bazulev
Abstract: On the basis of temperature dependencies of internal energy the size dependences of heat of fusion and heat of freezing for gold, cuprum, aluminum and cobalt nanoclusters have been calculated. For the simulation the Monte-Carlo method has been used and interaction between atoms has been described by many-body Gupta potential.
Keywords: heat of fusion, heat of freezing, Monte-Carlo method, Gupta potential, metal nanoclusters.

INVESTIGATION OF THICKNESS DEPENDENCES OF REFRACTIVE INDEX FOR NANOSIZED ACETONE FILM BY ELLIPSOMETRIC METHOD – 349 page.
N.Yu. Sdobnyakov, N.V. Novozhilov, A.S. Antonov, E.A. Voronova, O.V. Mikhailova
Abstract: On the basis of analyzing the spectrum of the ellipsometric angles Ψ and Δ the investigation of thickness dependence of refractive index for nanosized acetone films on silicon surface using the photometric spectroellipsometer was carried out.
Keywords: photometric spectroellipsometer, nanosized acetone films, refractive index, thickness dependence.

INVESTIGATION OF THE STRUCTURAL CHARACTERISTICS OF THE COPPER NANOCLUSTERS IN MELTING/CRYSSTALLIZATION PROCESS  – 353 page.
N.Yu. Sdobnyakov, M.A. Khazitonova, A.P. Andriychuk, A.N. Bazulev, I.V. Kartashov, P.V. Komarov, D.N. Sokolov
Annotation: In this work the investigation of the structural characteristics of the copper nanoclusters in the melting/crystallization process has been carried out. The possibility of the determination of the phase transition temperature has been shown by the temperature dependence of the mean value of the first coordination number. The process of the forming FCC/HCP structures for copper nanoclusters during melting and crystallization has been described.
Keywords: copper nanoclusters, melting and crystallization, Monte-Carlo method, Gupta potential, first coordination number, local density, FCC structure, HCP structure.

EFFECT OF THE STRUCTURE AND SYMMETRY ON THE THERMODYNAMIC PROPERTIES OF NANOPARTICLES WITH THE «MAGIC» NUMBER OF ATOMS – 362 page.
N.Yu. Sdobnyakov, V.S. Myasnichenko, A.P. Andriychuk, D.N. Sokolov
Abstract: The investigation of the thermodynamic characteristics of the gold nanoclusters with «magic» numbers of atoms in melting/crystallization phase transition has been carried out. Using the temperature dependence of the specific internal energy of nanoclusters, the melting temperature has been determined.
Keywords: nanoclusters, phase transition, melting temperature, «magic» numbers.

[C60]- FULLERENE.COUNTING AND ORDERING ISOMER OF SUBSTITUTIONS ON THE TOPS, EDGES, AND FACES – 370 page.
V.M. Smolyakov, D.V. Sokolov, D.Yu. Nilov, V.V. Grebeshkov
Abstract: This paper discusses the substitution isomers on vertices, edges and faces of the [C60] fullerene. The derivation of the isomers based on Polya theorem. Installed formula  symmetry Z , generating functions for determining the number of chiral and non-chiral isomers substitution distribution isomers families ρ(m), and depending on the number m of seats substitution. By additive scheme calculated thermodynamic properties (Δf 298, Sº298, Cº298,  ΔHsubl, Δf 298,lgK298) gaseous [C60] – [C100] -fullerens.
Keywords: fullerenes, counting and ordering of isomers replacement elements and symmetry operations, generating functions, chirality, achiral.

BULK AND SURFACE NANOSTRUCTURING OF TITANIUM BASED ALLOYS – 379 page.
V.V. Stolyarov
Abstract: The paper is a brief review of structure refinement deformation methods for bulk samples of titanium alloys with different nature. Typical microstructures of alloys in nanostructured and ultrafine-grained state are demonstrated.
Keywords: microstructure, deformation, rolling, pressing, forging.

PRELIMINARY MATHEMATICAL MODEL OF A STRATIFICATION OF METAL MELTS IN CAPILLARIES – 390 page.
N.P. Ouglev, S.N. Ouglev
Abstract: The preliminary mathematical model of the stratification process based  on assumed special properties of mononuclear skin (interphase layer) of a melt describing satisfactory all experimental results on stratification of metal melts in capillaries is proposed. The model uses Landay’s equation for the barometric stratification, and the first order kinetic equation as well.
Keywords: stratification of metal melts, cluster, barometric equation, interface fluidity.

EXPERIMENTAL TESTING OF CLUSTERS STABILITY IN METAL MELTS – 397 page.
N.P. Ouglev
Abstract: Effect of conservation the cluster structure of metal melts dew to cooling from 730ºC to 230ºC is researched. The dimension of clusters does not advance to equilibrium size during two hours attached to 230ºC . This fact shows the kinetic difficulties to change the mass of clusters and ring liquid metal. The results also show indirectly the existence of clear-cut boundary between clusters and surround melt.
Keywords: metal melts, cluster, barometric distribution, the bundle in the capillary, the inheritance of the structure.

SPECTRAL STUDIES OF THE PHOTOCHEMICAL FORMATION OF THE VARIABLE VALENCE URANIUM COMPLEXES IN ACETONE WITH DMSO – 402 page.
D.S. Umreiko, Е.V. Vileishikova, А.P. Zajogin, А.I. Komyak, S.D. Umreiko
Abstract: Using the electronic and IR absorption methods, the photochemical formation processes of the nanoclusters of three-, tetra-, and pentavalent uranium with organic ligands on LED illumination  (430-450 nm)  of the solutions of UO2(ClO4)•5H2O with DMSO in acetone have been studied. The possibility for deposition of the tetra- and pentavalent-uranium complexes onto the glass substrate has been established.
Keywords: spectral analysis, uranium complexes, uranyl nitrate, uranyl perchlorate, band intensities, organic ligands.

SPECTRAL STUDIES OF THE AlO AND AlN   RADICALS FORMATION PROCESSES IN THE PLASMA WHEN OXIDIZED ALUMINUM IS SUBJECTED TO SERIES OF DOUBLE LASER PULSES  – 409 page.
А.R. Fadaijan, Bazzal Khodor, Е.S. Voropay, А.P. Zajogin
Abstract: The effect of an additional laser pulse on the desired formation of the component and charge composition of the surface laser plasma has been studied by the laser spark spectrometry method with the use of a LSS-1 spectrometer. The possibility to increase a portion of AlO and AlN and  radicals in the plasma when the target is subjected to a series of double laser pulses has been demonstrated. The influence exerted by laser parameters on the formation of the desired ionic and molecular composition of the plasma has been shown.
Keywords: spectral analysis, AlO and AlN radicals, double laser pulses, laser ablation, processes in the plasma.

TO THE QUESTION OF REACTIONARY INTERACTION IN B-C-N SYSTEM WITH A PRESSURE OF 12 GPa – 415 page.
V.P. Filonenko, I.P. Zibrov, N.N. Kuzin, M.V. Trenikhin
Abstract: The paper presents experimental results of reacting between carbon nitride and amorphous boron under high pressure and temperature. It is shown that below the degradation temperature of carbon nitride get ordered graphite-like C3 N4  phase fails. In a mixture with boron significantly impeded the formation of hetero-graphene  phase. At a temperature of about   is 1500ºC formed finely diamond-like phase crystal size ranging from tens to hundreds of nanometers. Hetero-diamond  cBCxN  phase has a basic structure of cubic boron nitride in which carbon atoms are replaced atoms of boron and nitrogen.
Keywords: high pressure, carbon nitride, boron, reacting, hetero-diamond phase.

INFLUENCE OF SODIUM CHLORIDE BARRIER ON THE SIZE AND PARTICLE MORPHOLOGY OF SYNTHESIZED COBALT OXIDE – 424 page.
A.Sh. Khaliullina, V.G. Vassil’ev, E.V. Vladimirova, V.I. Pastukhove, T.S. Karpova, E.S. Gerasimova
Abstract: Powders of cobalt oxide consisting from different size and morphology particles have been obtained by methods of thermal hydrolysis, thermal hydrolysis with sodium chloride as a barrier and thermal decomposition of cobalt oxalate. The size and morphology of the particles in obtained powders were investigated to the dependence of synthesis method.
Keywords: thermohydrolisis, barrier, sodium chloride, cobalt oxalate, cobalt oxide, nanoparticles, morphology.

STRUCTURE AND THERMAL STABILITY OF RAPIDLY SOLIDIFIED SN-IN-SB – 430 page.
V.G. Shepelevich
Annotation:  Results of investigation of phase composition, grain structure and of its change under the next annealling for Sn-In-Sb alloys are presented.
Keywords: rapidly solidification, foil, phase, grain, texture, coalescence, recrystallization.

TECHNOLOGICAL METHODS FOR SYNTHESIS OF HIGH-ORDERED MEMBRANE NANOSTRUCTURED MATRICES BASED ON POROUS ANODIC ALUMINA – 438 page.
D.L. Shimanovich
Abstract: Technological methods for the formation of 30–70 μm thick free porous one-layer Al2Omembranes with open-ended modificated pores from 50 to 90 nm in diameters by a two-stage one-sided anodization in oxalic acid electrolyte and combined method for the barrier layer removal were developed.
Keywords: aluminum, electrochemical anodization, porous alumina, barrier layer, membrane, nanostructured material.

DEVELOPMENT OF RATIONAL METHOD FOR THE SYNTHESIS OF NANOCRYSTALLINE Fe MOLYBDATES (3+) BASED ON THE SYSTEM Fe2(SO4)3 –Na2CO3 –MoO3  – 444 page.
G.K. Shurdumov, Z.A. Abazova, Y.L. Kardanova, B.K. Shurdumov
Abstract: The paper presents  theoretical and experimental data on the development of a rational method for producing powders of nanocrystalline  molybdates (3+)  at a relatively low temperature (600ºC) in a relatively short time (40 min) with the yield of 99,85% of the basic substance of the brand «h.ch».
Keywords: Fe2(MoO4)3, nanocrystal synthesis, identification.

EVALUATION FORCES OF INTERACTION OF GOLD NANOPARTICLES AND DNA IN WATER SOLUTION – 449 page.
P.V. Komarov
Abstract: Analytical evaluation of the interaction of gold nanoparticles with a diameter of 2 fragment of deoxyribonucleic acid has been performed at conditions of aqueous solution.
Keywords: gold nanoparticle, DNA, aqueous solution.

PHA2013

THE CHARTS OF CLUSTERIZATION AND NON-EQUILIBRIUM CRYSTALLIZATION OF ALLOYS OF EUTECTICUM TYPE – 4 page.
V.D. Aleksandrov, O.A. Pokyntelytsia
Abstract: The charts of clusterization of liquid and its subsequent crystallization are obtained cooling alloys with a limit solubility and without mutual solubility of components. It is shown that the transition from a binary solution of liquid to the solid phase occurs in two parallel lines as in the pre- and in hypereutectic areas. The dynamics of change of the cluster state in the course of fusion is analyzed as well as near-equilibrium crystallization and non-equilibrium crystallization from the supercooled metastable state.
Keywords: fusions, the binary system, alloys with limited solubility, alloys without mutual solubility of components, clustering, equilibrium and non-equilibrium crystallization, solid solutions, eutectic.

THERMODYNAMICS ANALYSIS OF INFLUENCE OF VACANCIES ON THE INTERPHASE SURFACE ENERGY AND ENTALPY OF CRYSTALLIZATION AT FORMATION OF CRYSTAL NUCLEI FROM A LIQUID PHASE – 10 page.
О.V. Aleksandrova
Abstract: Dependences of thermodynamics parameters of crystallization (entropy, enthalpy and the interphase surface energy) from the concentration of vacancies are in-process set. The analysis of energy of Gibbs is carried out for forming critical nuclei.
Keywords: energy of Gibbs, to entropy, enthalpy, the interphase surface energy, crystal nuclei, vacancies, critical nuclei.

THE PRODUCTION OF 3-D IMAGES OF THE CHROME NANOCOATING ON THE GLASS SUBSTRATE AND THE MEASUREMENT OF THE CURRENT-VOLTAGE CHARACTERISTICS – 14 page.
A.S. Antonov, T.Yu. Zykov, E.A. Voronova, N.Yu. Sdobnyakov,P.S. Kutilin, A.S. Mikhailov, O.V. Mikhailova
Annotation: In this paper, we have been analyzed the 3-d images of the chrome nanocoating on the dielectric substance (glass), which were obtained using by the scanning tunneling microscope and measured the current-voltage characteristics.
Keywords: chrome nanocoating on the glass substrate, 3-d images, scanning tunneling microscopy (STM), the current-voltage characteristic.

TEMPERATURE CONTRIBUTION OF INTERFACE ENERGY OF THE LOW DEMENSIONAL METALLIC SISTEMS ON DIFFERENT BOUNDARIES – 20 page.
L.P. Arefjeva, I.G. Shebzukhova
Abstract: Electron-statistical method by Frenkel-Gambos-Zadumkin has been modified to determine the temperature dependence of interface energy of low dimensional metallic system on the interface with different surrounding. The temperature contribution of interface energy, which caused by changing the Fermi energy, has been estimated. The temperature and the dimensional dependences of temperature contribution of rhodium have been shown for the interfaces thin films – vacuum and nanopartical – self-melt.
Keywords: interface energy, temperature dependence, thin films, nanopartical, rhodium.

METHOD OF OBTAINING THIN WIRE FROM ALUMINUM ALLOY Al – 14%Cu – 7%Ce – 29 page.
E.A. Babich, M.A. Zhuravleva, A.A. Mogucheva
Abstract: The influence of equal channel angular pressure on the microstructure and mechanic properties of aluminum alloy Al – 14%Cu – 7%Ce, the influence of dragging on the microstructure and failure surface of wire samples of aluminum alloy Al – 14%Cu – 7%Ce was study.
Keywords: aluminum alloys, microstructure, equal channel angular pressure, mechanic properties, dragging, deformation.

RELATION BETWEEN FRACTAL DIMENSION AND SURFACE ROUGHNESS FOR THE COPPER SAMPLES – 33 page.
Yu.V. Brylkin, A.L. Kusov
Annotation: Microscopic characteristics of copper surfaces with different roughness were produced using scanning tunnel microscope and fractal analysis.
Keywords: fractal, scanning tunnel microscopy, surface topology.

THE EVALUATION OF THE TUNNELING MAGNETORESISTANCE MANGANITE-PMMA COMPOSITES – 39 page.
A.V. Vasiliev, A.A. Eliseev, E.O. Anohin, L.A. Trusov
Annotation: Lanthanum-strontium manganite containing composites were synthesized by a warm pressing technique. The LSMO precursor was prepared by modified sol-gel method. Samples showed two types of magnetoresistance effect, tunnel, due to composite structure, and colossal, due to LSMO properties.
Keywords: composite materials, magnetoresistance, grain boundaries, tunneling.

EVALUTION OF THERMODYNAMIC CHARACTERISTICS OF METAL NANOCLUSTERS VIA MOLECULAR DYNAMICS DATA – 46 page.
S.A. Vasilyev, O.D.O. Obies, V.M. Samsonov
Abstract: Molecular dynamics results on transition metal nanoclusters were used to calculate the enthalpies of melting and sublimation. The values for the sublimation enthalpies (heats) demonstrate a good agreement with the tabulated values for the corresponding bulk phases, whereas the melting enthalpies (heats) are 2-3 times less than the corresponding tabulated values that may be interpreted as a demonstration of the corresponding size effect.
Keywords: nanoclusters of transition metals, enthalpy of melting, enthalpy of sublimation, molecular dynamics, tight-binding potential.

THE INTERFACE BOUNDARY ROLE DURING THE HEAT CAPACITY CALCULATIONS OF CU NANOCLASTERS SYNTHESIZED FROM GAS PHRASE – 52 page.
Yu.Ya. Gafner, I.V. Chepkasov
Annotation: Using molecular dynamics and modified tight-binding potential, the heat of Cu nanoclusters synthesized from the gas phase has been studied. It was shown that the interface boundary in agglomerated clusters cannot be the main reason of the significant growth of the capacity of compactioned nanomaterial, pointed in a lot of researches.
Keywords: condensation, computer modeling, copper, nanoclusters.

INFLUENCE OF DISORDER ON STRUCTURE IN SMALL ALUMINIUM CLUSTERS IN THE COURSE OF THERMAL PROCESSING – 60 page.
Yu.Ya. Gafner, V.S. Baydyshev
Annotation: The method of molecular dynamics and modified tight-binding potential (TB-SMA) were used to investigate influence of the disorder degree in nanocompacted aluminium (mean cluster diameter 3 nm) on formation of crystal structure in the course of heat treatment. It is shown, that under the influence of the temperature factor there is a transition from initial FCC phases in other structural modifications, including with pentagonal symmetry.
Keywords: computer simulations, molecular dynamics, tight-binding, nanocompacted matter, nanoclusters, aluminium.

QUANTITATIVE CORRELATION «STRUCTURE OF ALKYNES C2H2 – C9H16 – THE HEAT OF VAPORIZATION » – 67 page.
V.V. Grebeshkov, V.M. Smolyakov
Abstract: For series alkynes CnH2n-2 based on group additive method (which based on the first environment of atoms), one obtained 8-constant additive scheme of calculation of their physical and chemical properties. It is shown that within the accepted classification of structural elements in the molecules of alkynes demonstrate a linear relationship. According to the obtained formula, numerical calculations of the heats of vaporization at normal boiling point Hvap of alkynes C2H2 – C9H16 not studied experimentally were carried out.
Keywords: additive schemes, alkynes, the heat of vaporization, multiple non-bonded interactions, additive-group method.

QUANTUM-CHEMICAL MODELING OF BISMUTH’S HYDROGENATED CLUSTERS – 73 page.
E.N. Gribanov, O.I. Markov, Yu.V. Hripunov
Abstract: The paper presents the results of calculations of structure and energy parameters of BinHm nanoclusters  by quantum-chemical methods.
Keywords: cluster, bismuth, quantum-chemical simulation.

ON CONTRIBUTION OF TRUE SECONDARY ELECTRONS INTO THE IMAGE FORMATION IN ELECTROOPTICAL CONVERTERS – 79 page.
V.N. Grinyuk, O.V. Gudieva, V.A. Sozaev
Abstract: The paper is aimed on refinement of the theory of originating of true secondary electrons in shooting oxide structure Al2O3 and on estimation of contribution of such electrons into the resolving ability of images in electrooptical converters. The conclusion on the decreasing resolving parameter  Δi with decreasing thickness of structure and initial energy at increasing coefficient of electron multiplication  βi = 1,1 ÷ 2,0 has been drawn on the basis of dependence of relative tailing of electron energies on the thickness of structure and on the initial energy. Obtained data are useful at choosing material of the structure in the conditions of processes of originating of true secondary electrons.
Keywords: aluminum oxide, shooting film, resolving ability.

ASYMMETRIC IMPURITY SEGREGATION IN MULTI-LAYERED FILMS -84 page.
I.M. Davydova, T.N. Melnik, V.M. Yurchenko
Abstract: Peculiarities of segregation of impurities at the boundaries of a thin film separating two different solid materials are considered. Theoretical and numerical analysis of kinetics of impurity redistribution within the film and at the boundaries has been carried out. Subject to the energy of interaction of the impurity atoms with the boundaries, the initial impurity concentration and temperature, the criteria of realization of different variants of segregation were ascertained.
Keywords: diffusion, weak solution, impurity segregation.

SYNTHESIS OF URANIUM OXIDE NANOCLUSTERS ON THE SURFACE OF OXIDIZED ALUMINUM – 92 page.
А.P. Zajogin, D.S. Umriko, Е.V. Vileishikova,  А.I. Komyak, S.D. Umreiko
Abstract: Deposition of the products from photocondensation of acetone and uranium on the surface of oxidized aluminum with the use of hydrogen peroxide has been studied by the methods of electronic and IR absorption.  It has been demonstrated that in the process of deposition the sexavalent uranium peroxide nanoclusters, strongly bonded to the substrate, are formed. Heating of the substrate and of the deposited uranium peroxide to 400 – 450 °C offers the production of the  βUO3– type uranium oxide and to 500 – 600 °C – of different forms of U3O8.
Keywords: spectral analysis, uranium complexes, uranium perchlorate, band intensity, uranium oxides, photocondensation of acetone.

BIOLOGICAL ACTIVITY OF SULFUR NANOPARTICLES OBTAINED FROM SODIUM POLYSULFIDE AQUEOUS SOLUTIONS – 98 page.
R.M. Zaynitdinova, A.N. Khusainov, L.R. Zaripova, I.A. Massalimov, A.G. Mustafin
Abstract: Studied the process of the formation of nanoparticles sulfur obtained by mixing polysulfides with of organic and inorganic acids solutions. We revealed a significant acceleration of the growth of plants with the introduction of nanoparticles sulfur in composition with alcohols and glycols, the optimal concentration of preparation, providing the maximal growth of shoots up to 58% within 3 days of their vegetation.
Keywords: sulfur, polysulphides, nanoparticles, biological activity.

NANOPHOSPHORS ON THE BASIS OF TR SILICATES – 104 page.
M.G. Zuev, S.Yu. Sokovnin, V.G. Il’ves
Abstract: Phosphors Sr2Y8Si6O26  :(0,15)Eu are received in the form of micro and nanopowders (NP). It is established that upon transition from micro- to NP, there is a modification of an vibration range of nanosamples: density of oscillatory conditions is impoverished. Width of the forbidden zone of silicates increases upon transition from micro to a nanocondition. In a range of a luminescence of nanophosphors there is a broadening of lines of a luminescence and change of their intensity.
Keywords: nanoamorphous phosphor, electronic beam, spectral-luminescent properties.

A THERMODIFFUSION INFLUENCE ON THE THERMAL LENSE RESPONSE IN A LIQUID DISPERSIVE MEDIA – 112 page.
V.I. Ivanov, G.D. Ivanova, V.K. Khe
Annotation: The stationary thermal lens response in thin layers of two component medium is analyzed. It is showed thermodiffusion can strongly influences on the thermal lens itself and the transmittance coefficient of medium.
Keywords: thermal lens, thermal diffusion, two-component medium, self-action of light.

DUFOUR EFFECT IN A DISPERSIVE LIQUID-PHASE MEDIUM IN THE GAUSSIAN BEAM FIELD – 116 page.
V.I. Ivanov, A.I. Livashvily
Abstract: The effect of thermal radiation produced when the transparent dispersion medium is under the Dufour effect is analyzed theoretically. Analytical expression describing the dynamics of the medium temperature is received.
Keywords: Dufour effect, electrostriction nonlinearity, dispersed liquid-phase medium, thermal self-action of radiation.

ELECTRICAL CONDUCTIVITY OF BORATE-BARIUM GLASS C78-5 IN THE EDUCATION AND GROWTH OF NANOCRYSTALS – 120 page.
A.M. Karmokov, Z.V. Shomakhov, O.A. Molokanov
Abstract: The temperature dependence and kinetics of changes in the electrical conductivity at a constant temperature annealing of borate-barium glass C78-5 is investigated experimentally. The values of the activation energy of electrical conductivity in different temperature ranges corresponding to different mechanisms of conductivity are found. It is established that during isothermal annealing conductivity of glass increases the higher,  the higher is  the temperature of annealing.
Keywords: isothermal annealing, an electrical conductivity kinetics, borate-barium glass, structural transmutations, a specific conductivity, phase formation, conductivity activation energy.

SURFACE TENSION OF A CYLINDRICAL SURFACE – 124 page.
E.V. Kishtikova, S.Sh. Rekhviashvili
Abstract: Analytical expressions for the size dependence of a surface tension are received in the framework of two various approaches (Gibbs theory and Van-der-Waals theory of an inhomogeneous medium) for cylindrical surface. It is shown, that the both approaches lead to a very close results. The coefficient of proportionality in A.I.Rusanov’s formula for a cylindrical surface is defined.
Keywords: thermodynamics of surface, Gibbs method, density distribution profile, size dependence of a surface tension, cylindrical surface.

HIGH-INTENSITY METHODS OF FORMATION OF THE MAX-PHASES IN ALUMINUM-BASED AND TITANIUM-BASED ALLOYS – 129 page.
Е.А. Кnestyapin, Е.А. Petrikova, Yu.F. Ivanov, A.А. Klopotov
Annotation: In work are submitted data on evolution of structure and properties of a titanic alloy of BT6 and silumin after an electroexplosive alloying and radiation by an electronic bunch. Formation the MAX -phase of structure of Ti3SiC­2 and Ti3AlC is established.
Keywords: Titanium and titanium alloys, electroexplosive alloying, electron beam treatment, MAX phases.

SIMULATION OF THE COALESCENCE PROCESS OF METAL NANOPARTICLES OF DIFFERENT SHAPES – 134 page.
A.Yu. Kolosov, N.Yu. Sdobnyakov, P.V. Komarov, N.V. Novozhilov, A.N. Bazulev, D.N. Sokolov
Abstract: The simulation of the coalescence process of gold and copper nanoparticles of different shapes by Monte-Carlo method was carried out. The interaction between nanoparticles was described by many-body Gupta potential. It was found that the shape of nanoparticles significantly affects the melting point and the coalescence process. Moreover, the coalescence doesn’t happen at all at certain distances between nanoparticles of an initial configuration.
Keywords: gold nanoparticles, copper nanoparticles, coalescence, Monte-Carlo method, Gupta potential, phase transition, neck.

INVESTIGATION OF THREADLIKE AGGREGATES FORMED BY SILVER MERCAPTIDE BY LANGEVIN DYNAMICS – 146 page.
P.V. Komarov, P.M. Pakhomov, S.D. Khizhnyak
Annotation: Stability of threadlike aggregates formed from silver mercaptide has been investigated by using of the Langevin dynamics. These aggregates are presumably formed at a late stage of maturation of cysteine silver solution.
Keywords: hydrogel, computer simulations.

THE VACANCY CLUSTER IN THREADED CRYSTALS OF SILVER AZIDE – 157 page.
L.V. Kuzmina, E.G.  Gazenaur, V.I. Krasheninin, E.V. Sugatov
Annotation: This paper presents the results of experimental studies of education the vacancy cluster in threaded crystals of silver azide. It is experimentally shows the role of vacancy cluster in the reactivity of these materials. Methods of time management formation vacancy cluster are proposed.
Keywords: threaded crystals of silver azide, vacancy cluster, reactivity, impurity defects, dislocations.

STRUCTURE AND MORPHOLOGY OF NANOPARTICLES OF MAGNETITE (Fe3O4) AT SORPTION OF HEXAVALENT CHROME FROM AQUEOUS SOLUTION – 161 page.
O.D. Linnikov, A.M. Murzakaev, I.V. Rodina, A.P. Tjutjunnik,
L.B. Mamtcev, N.A. Khlebnikov, A.P. Tyutyunnik
Abstract: Nanopowder of magnetite before and after sorption on it of hexavalent chrome from aqueous solution was studied by methods of X-ray analysis and electron microscopy. Obtained results testify that at sorption (chemisorption) of chrome(VI) by magnetite the formation of new phase in the form of compound body of chrome and iron occurs not in the volume of solution or onto surface of magnetite but in its thin surface layer.
Keywords: magnetite, chrome (VI), nanoparticles, sorption, X-ray analysis, electron microscopy, aqueous solution.

ON THE SIZE DEPENDENCIES OF PARAMETERS OF THE CRYSTAL-LIQUID PHASE TRANSITION -169 page.
M.N. Magomedov
Abstract: The relatively simple method for calculation of the size dependencies of the latent heat, the
volume jump and the interphases surface energy under crystal-liquid phase transition is proposed. For the calculation by this method is necessary to know of the experimental size dependencies of the melting point and the temperature of the beginning of crystallization. The method is tested for nanoparticles of Cu, Au, Al and Ni.
Keywords: melting, crystallization, latent heat of the phase transition, volume jump, nanocrystal, nanodrop, size, shape of the surfaces.

KINETICS OF THE ELECTROCHEMICAL OXIDATION OF ALUMINUM IN SULFURIC ELECTROLYTE – 176 page.
E.S. Markaryan
Annotation: It is investigated the kinetics of the growth of porous alumina by anodization in an aqueous solution of sulfuric acid. Kinetic data obtained as a result of the anodic process are extremely informative in terms of a general theory of pore formation in aluminum. It was observed to the existence of the «bifurcation point». The position the «bifurcation point» of for oxides molded at different current values has been defined.
Keywords: anodic aluminum oxide growth kinetics, the point of bifurcation.

ANALYSIS OF CREATING A MAGNETIC FIELD SENSOR BASED ON OFF-DIAGONAL MAGNETOIMPEDANCE – 180 page.
A.T. Morchenko, L.V. Panina
Annotation: Effect of a magnetic impedance (MI) is a very promising for the creation of high performance magnetic sensors. For sensor applications, off-diagonal configuration is preferable when the MI element is excited by ac current and the output is detected from the coil. In this case, the signal is linear on the external field. The paper analyses the work of the magnetic field sensor on amorphous microwire with off-diagonal configuration of the sensor element.
Keywords: off-diagonal magnetoimpedance, magnetic field sensor, amorphous microwire, pulse excitation of the sensor element.

EVOLUTIONARY SEARCH FOR OPTIMAL STRUCTURES OF THE SMALL GOLD-SILVER CLUSTERS WITHIN THE TIGHT-BINDING APPROXIMATION – 187 page.
V.S. Myasnichenko
Abstract: The structures of the global minima for AunAg14-n clusters all the compositions were calculated. Atomic interaction was modeled by a many-body Cleari-Rosato potential. The combination of genetic algorithm with simulated annealing method used to search for global minima. Results are six possible configurations optimal geometric isomers.
Keywords: cluster, nanoalloy, structure, optimization, gold, silver.

QUANTITATIVE CORRELATION «STRUCTURE ALLENES  C3H4 –C10H18 – THE HEAT OF VAPORIZATION »  – 194 page.
D.Y. Nilov, V.M. Smolyakov
Abstract: For series allenes CnH2n-2 based on group additive method (witch basis on the first environment of atoms) is obtained 9-constant additive scheme of calculation of their physical and chemical properties. It is shown that within the accepted classification of structural elements in the
molecules of allenes have a linear relationship. According to the obtained formula, numerical calculations of the heats of vaporization at normal boiling point Hvap allenes C3H4 –C10H18 not studied experimentally.
Keywords: additive schemes, allenes, the heat of vaporization, multiple non-bonded interactions, additive-group method.

COMPARATIVE STUDIES OF SOLID SOLUTION Li0,125Na0,875NbO3  SYNTHESIZED AT ATMOSPHERIC AND HIGH PRESSURES – 200 page.
M.N. Palatnikov, V.V. Efremov, O.V. Makarova, N.V. Sidorov
Abstract: Structural and electrical properties of a solid solution (SS) of Li0,125Na0,875NbO3 are studied. Synthesis of the solid solution of Li0,125Na0,875NbO3 under high pressure achieves more highly ordered structure. This increases the dielectric constant and ionic conductivity while decreasing the activation enthalpy of ion transport compared with the solid solution of Li0,125Na0,875NbO3 obtained by the usual ceramic technology.
Keywords: ferroelectric solid solutions, pressure-thermal synthesis, the usual ceramic technology, Raman scattering, admittance diagrams, the structural ordering of the ionic conductivity, and the enthalpy of activation.

THE USE OF THE OFF-DIAGONAL MAGNETOIMPEDANCE PHENOMENON TO BUILD SENSORS OF WEAK MAGNETIC FIELDS AND CURRENTS – 210 page.
L.V. Panina, N.A. Yudanov, A.T. Morchenko, V.G. Kostishyn, D.G. Krutogin, A.A. Rudenok
Annotation: In the present work, the off-diagonal sensor design was advanced by utilising a complex waveform excitation produced by a microcontroller and applied to a multiple wire magnetoimpedance element. For optimised excitation the field resolution of about  mV/Oe was achieved. The concept of microcontroller driven sensor element could be attractive for the development of intellectual sensors.
Keywords: off-diagonal magnetoimpedance, magnetic field sensor, amorphous microwire, pulse excitation.

APPLICATION OF THE EFFECTIVE IMPEDANCE METHOD FOR IN SITU ELLIPSOMETRIC ANALYSIS OF MAGNETIC FILMS – 219 page.
L.V. Panina, A.T. Morchenko, V.G. Kostishyn, D.N. Chitanov, R.D. Piliposyan
Abstract: The technique of effective surface impedance is proposed and applied as useful tool for non-destructive in situ characterisation of optical and magneto-optical parameters of magnetic heterostructures. Standard ellipsometry analysis requires the model response to be calculated from every layer in the structure. For any ellipsometry investigations a proper choice of a physical model is important for solving the inverse problem by a regression method. Reasonable approximations used for in situ ellipsometry monitoring are assumptions of a constant rate of layer growth and stable optical parameters. In this case a method of a pseudosubstrate is used which approximates the underlying structure as a single interface (so called virtual interface), rather than tracking the entire sample history.
The virtual interface is placed at some level and growth is modelled on this interface with no knowledge retained for the underlying structure.Magneto-optical spectra were detected in the configuration of equatorial Kerr effect which is fully compatible with the ellipsometry measurements. The method is successfully used to analyse Co, Fe/Si/glass films.
Keywords: effective impedance, in situ ellipsometry, magnetic films, kerr effect, magneto-ellipsometry, multilayers, pseudosubstrate, virtual interface.

STRUCTURE OF SMALL CLUSTERS OF TITAN TiN ( N = 2 ÷ 15) – 231 page.
N.A. Pankin
Abstract: The study was performed of the structure of free clusters of titanium TiN ( N = 2 ÷ 15) by means of molecular dynamics using a many-particle cooperation in the tight-binding model. The values of coordination number, length, binding energy and frequency of the studied clusters are found.
Keywords: clusters of titanium, molecular dynamics method, many-particle potential, atomic structure.

SYNTHESIS OF THE ZINC OXIDE NANOCLUSTERS DOPED WITH COPPER FROM ORTHOPHOSPHATE SALTS IN POROUS SAMPLES ON LASER ABLATION – 239 page.
М.P. Patapovich, N.H. Trinh, Le Thi Kim Anh, A.P. Zajogin
Abstract: Spectroscopic studies of the surface laser plasma formed close to the porous body containing nanoquantities of different zinc and copper salts under the effect of two successive pulses have been performed. The potentialities for the development of the metal oxide nanoclusters formation methods have been demonstrated. It has been shown that, depending on the concentration of the starting metals in the solutions used, one can vary the quantity and composition of the clusters.
Keywords: nanoclusters, pulsed laser sputtering, surface laser plasma, laser spark spectrometry, metal oxides, double laser pulses.

AN ADEQUATE POTENTIAL BASED ON MOLECULAR INFORMATION: SELECTION AND APPROBATION – 245 page.
G.G. Petrik
Abstract: The results are given obtained due to a new approach to description of the potential curves shapes, defined links of the special point coordinates for the curves with the critical parameters and the analytical and calculation possibilities of the molecular model of spherical shells. It is shown that an adequate potential of spherical shells is formed simply by the most general control factor of the model – the rigidity of the shell. The method of selection in the family of the potentials  of the adequate potential-analogue is supposed.
Keywords: intermolecular interaction, interacting point centers, spherical shells, adequate potentials, parameters, special points of the curves.

INVESTIGATION INTO THE   AND  RADICAL FORMATION PROCESSES IN THE PLASMA DUE TO DEFOCUSING OF DOUBLE LASER PULSES INCIDENT ON OXIDIZED ALUMINUM – 261 page.
S.V. Protsenko, Aljdigaui Haidar Ali Rai, A.R. Fadaijan, E.S. Voropay, А.P. Zajogin.
Annotation: The influence of the laser-pulse radiation defocusing on the formation of the desired component and charge composition of the surface plasma is studied using the laser spark spectrometry (LSS-1 spectrometer). The possibility for increasing the portion of AlO and AlN radicals in the plasma when the aluminum target is subjected to the effect of the successive defocused double laser pulses is shown.
Keywords: spectral analysis, AlO and AlN radicals, double laser pulses, laser ablation, plasma processes.

STRUCTURE OF COMPOSITE COATINGS IMMISCIBLE COMPONENT OF Cu-Mo, RECEIVED ELECTROEXPLOSIVE SPRAYING AND A MODIFIED HIGH INTENSITY ELECTRON BEAM – 267 page.
D.A. Romanov, O.V. Olesyuk, E.A. Budovskikh, V.E. Gromov, Yu.F. Ivanov, A.D. Teresov
Abstract. The studies of the phase and elemental composition, condition of the defect substructure of the surface layer of electrical grade copper M00 subjected electroexplosive composite coating deposition systems Cu-Mo and subsequent exposure of high-intensity pulsed electron beam. Identified modes of electron-beam processing, enable the development of compact, high-gloss surface layers with submicron and nano-crystalline structure based on molybdenum and copper.
Keywords: electroexplosive spraying, electron beam processing, pseudo-alloy, molybdenum, copper, structure.

USE OF EXPLOSION ENERGY FOR STRENGTHENING WORKING BODIES OF SOIL-CULTIVATING MACHINES – 274 page.
V.V. Semashko, L.V. Sudnik, A.F. Ilyushchenko
Abstract: The research has defined technological methods that combine energy use of explosives and traditional methods of surface treatment (quenching and tempering) to improve the parameters of agricultural machinery.
Keywords: endurance, strength, resilience, hardness, tribological surface, microstructure, laminated material, high-energy loading, shock wave of high intensity.

DRIVING FORCES FOR SURFACE SEGREGATION IN THE Cu-Ge AND Cu-Mn ALLOYS – 282 page.
I.N. Sergeev, K.Ch. Bzhihatlov
Abstract: In the approximation of the combined Langmuir – McLean model considered the driving forces for surface segregation in (111)Cu – 2 at. %Ge and (100)Cu – 4  at.%Mn single crystals. Model predictions are compared with the temperature dependence of the surface segregation obtained by AES. The influence of the type used Langmuir – McLean isotherm on the accuracy of prediction has been estimated.
Keywords: Cu-Mn and Cu-Ge single crystals, Langmuir – McLean model, Auger electron spectroscopy, surface segregation, segregation energy.

ESTIMATION OF THE SURFACE TENSION OF Cu-  2 AT. %Ge AND Cu – 4 AT. %Mn SOLID SOLUTIONS, USING DATA OBTAINED BY AUGER ELECTRON SPECTROSCOPY – 290 page.
I.N. Sergeev, K.Ch. Bzhihatlov
Abstract: In the regular solution approximation with the experimental values of the composition of the surface, obtained by Auger electron spectroscopy, calculated the temperature dependence of the surface tension of (111)Cu – 2 at. %Ge and (100)Cu – 4  at.%Mn single crystals. Influence of the nature of the interatomic interactions on the segregation effect of reducing the surface tension is shown.
Keywords: Cu-Ge and Cu-Mn solid solution, surface tension, surface segregation, Auger electron spectroscopy.

THE IMPACT OF THERMAL CYCLING ON THE REPEATABILITY OF TEMPERATURE DEPENDENCEE CONDUCTIVITY OF NANOSTRUCTURED SnO2 FILMS – 296  page.
A.V. Smirnov, A.I. Grebennikov, I.V. Sinev, V.V. Simakov
Abstract: The purpose of the present study is temperature dependence of the conductivity of nanostructured tin dioxide films on temperature after treatment in an argon plasma. It is shown that thermal cycling conducted after treatment in an argon plasma returns temperature dependence of conductivity in the initial state.
Keywords: tin dioxide, temperature dependence of conductivity, plasma processing, thermal cycling.

THE INVESTIGATION OF THE STRUCTURAL CHARACTERISTICS OF THE METAL NANOCLUSTERS IN MELTING/CRYSSTALLIZATION PROCESS USING MANY-BODY GUPTA POTENTIAL – 301 page.
D.N. Sokolov, A.P. Andriychuk, M.P. Khazitonova, I.V. Kartashov, P.V. Komarov,
N.Yu. Sdobnyakov
Annotation: In this work the investigation of the structural characteristics of the gold nanoclusters in the melting/crystallization process has been carried out. The possibility of the determination of the phase transition temperature has been shown by the temperature dependence of the mean value of the first coordination number. The process of the forming FCC/HCP structures for gold nanoclusters during melting and crystallization has been described.
Keywords: gold nanoclusters, melting and crystallization, Monte-Carlo method, Gupta potential, first coordination number, local density, FCC structure, HCP structure.

FORMATION OF HIGH TRIBOMECHANICAL PROPERTIES FILMS BASED ON Ti1-xAlxN BY OPTIMIZING THE PULSED MAGNETRON POWER SYSTEMS – 317 page.
T.O. Soshina
Abstract: The effect was investigated of the power pulsed magnetron system on the composition, structure, physico-mechanical and tribological properties of the films on the based on Ti1-x AlxN. At the optimum value of the power polycrystalline film was produced with a unique set of mechanical and tribological properties.
Keywords: pulsed magnetron sputtering, magnetron power system, the phase composition, the chemical composition, microstructure, mechanical properties, tribological properties.

SPECTRUM OF ENERGY OF TETRAHEDRAL CRYSTALS WITH LOCAL DEFECTS. COMPARATIVE CALCULATION WITHIN THE FRAMEWORK OF MODELS OF ORBITALLY-STOICHIOMETRIC CLUSTER AND OF MOLECULAR CLUSTER WITH COMPENSATION OF BROKEN VALENCIES – 325 page.
A.M. Stebenkov, N.A. Stebenkova
Abstract: The spectrum of one-electron states (SOS) of covalent and ionic-covalent crystals (C, Si, Ge, BN, BP, AlN, AlP and GaP) was calculated under the MNDO scheme with a usage of symmetrically extended models of a) an orbital-stoichiometric cluster and b) a molecular cluster with closure of broken valences by hydrogen atoms. The calculations were carried out for ideal crystals as well as those with substitution local defects. It was shown, that both models lead to qualitatively coincident results.
Keywords: spectrum of energy, quantum-chemistry calculation, covalent crystals, local defects in solid body.

ANALYSIS OF PROBABLE MECHANISM OF PARTIAL METAL MELT STRATIFICATION IN CAPILLARS – 333 page.
N.P. Ouglev
Abstract: Review of experiments on stratification of binary metal melts in capillaries has been performed. Considering old results and new experimental data represented in this paper, conclusion has made that effect of the layering can be explained only with totally new approach to structure and properties of liquid metal melts and/or any liquid in general.
Keywords: stratification, capillaries, sedimentation rate, clusters, liquid melt structure.

MECHANISM OF PARTIAL METAL MELT STRATIFICATION IN CAPILLARS – 343 page.
N.P. Ouglev
Abstract: Experimental results of diameter, inclination, angle and length effects on metal melt stratification rate are represented. These relationships determined experimentally were compared with relationships obtained on the basis of simple hydrodynamics expressions. It has been approved that mechanism of the layering is not related with convection inside metal sample. Experimental data and theoretical evaluation show that most adequate explanation of the stratification process can be produced with the assumption of special properties of single-atom surface layer of liquid melt having characteristics of ideal gas in interphase space between capillary inner wall and liquid sample.
Keywords: stratification, capillaries, convection layering, two-dimension flow, two-dimension ideal gas, metal melts.

HETERO-GRAPHENE AND HETERO-DIAMOND PHASES SYNTHESIZED IN THE B – C – N SYSTEM UNDER PRESSURE – 353 page.
V.P. Filonenko, I.P. Zibrov, V.A. Sidorov, M.V. Trenihin
Abstract: The phases formation in the B – C – N  system at thermobaric treatment of mixtures of carbon nitride or melamine with boron has been studied. It was found that in the pressure range of 4-8 GPa graphite-like particles were formed first. Then their crystal lattice can be transformed into the cubic one. Hetero-graphene and  hetero-diamond phases have a basic structure of boron nitride. Around ten percent of carbon atoms are homogeneously distributed in this lattice replacing the boron and nitrogen. The proposed methodology allows the synthesis of nano- and micro-sized particles of BCN phases.
Keywords: High-pressure, hetero-graphene phase, hetero-diamond phase, carbon nitride.

CALCULATING THE MAGNETIC CONTRIBUTION TO THE HEAT CAPACITY OF THE QUASIONEDIMENSIONAL ISING MAGNETICS – 362 page.
E.V. Shabunina, M.E. Shabunin, D.V. Spirin, V.N. Udodov
Annotation: Effect of temperature, interactions up to three neighbors and sizes on heat capacity of small magnetic systems within the one-dimensional Ising model by Monte Carlo method was studied.
Keywords: heat capacity, Ising model, one-dimensional chain, magnet, quasionedimensional compounds.

PHASE COMPOSITION AND GRAIN STRUCTURE OF RAPIDLY SOLIDIFIED EUTECTIC ALLOY Sn – 32 WEIGHT %Cd – 370 page.
V.G. Shepelevich
Annotation: Rapidly solidified eutectic alloy Sn – 32 weight %Cd consists of solid tin and cadmium solutions. There is microcrystalline structure with average size of grains less than 1µm. Forming of structure in foils is caused with spinodal decomposition of liquid solution and next crystallization of liquid phases, richen by tin and cadmium.
Keywords: rapidly solidification, tin, cadmium, dispersive particles, foil.

TWO-LAYER NANOSTRUCTURED  MEMBRANES, SYNTHESIZED BY ELECTROCHEMICAL ANODIZATION IN OXALIC ACID ELECTROLYTE – 376 page.
D.L. Shimanovich
Abstract: Technological methods for the formation of 73 – 216µm thick porous two-layer Al2O3 membranes with ~55 nm pores diameters by a two-sided through anodization in oxalic acid electrolyte and subsequent bipolar anodization were designed. High shape stability and crack resistance after high-temperature (>500°C) treatments, ~ 20 – 23 W/m•K thermal conductivity, ~  relative dielectric constant were obtained.
Keywords: aluminum, electrochemical anodization, porous alumina, barrier layer, bipolar anodization, membrane, nanostructured material.

STUDY OF THROUGH-THE-THICKNESS NANOPOROUS ALUMINA STRUCTURES WITH IMPLANTED ALUMINUM ELEMENTS – 281 page.
D.L. Shimanovich
Abstract: Technological features for the formation of 5-100µm thick implanted aluminum elements and free anodic nanoporous Al2O3 structures simultaneously by a two-sided through electrochemical anodization were studied. It was proved that the thickness of the free alumina plate, the distribution and sizes of the interconnection system in its volume were varied by technological conditions.
Keywords: aluminum, electrochemical anodization, nanoporous alumina, barrier layer, two-sided through anodization, bipolar anodization, implanted element, interconnection system.

ELECTROCHEMICAL PRODUCTION OF NANOSTRUCTURED MATERIALS BASED ON NICKEL – 385 page.
A.V. Shmigel, P.A. Tichonov, M.Yu. Arsent’ev, A.E. Lapshin
Annotation: The report given the results of the preparation of nanoparticles of nickel hydroxide by an electrochemical method, in distilled water and potassium hydroxide, using nickel electrodes. The novelty of the work lies in systematic studying of the preparation process of the preparation of nickel hydroxide nanoparticles by an electrochemical method. The particle size was determined by dynamic light scattering and X-ray diffraction analysis.
Keywords: nanostructured materials, nanoparticles of nickel hydroxide, electrochemistry.

PREPARATION AND INVESTIGATION OF METALLIC SILVER NANOPARTICLES BY ANODIC OXIDATION – 390 page.
A.V. Shmigel, P.A. Tichonov, M.Yu. Arsent’ev, I.A. Drozdova
Abstract: The article provides the results of the electrochemical preparation of metallic silver nanoparticles. The process was carried out in distilled water using silver electrodes. The laser analyzer determined the size of metallic silver particles as 3-35 nm. Average particle size was obtained with an electron microscope was 10 nm.
Keywords: Nanostructured materials, silver nanoparticles ,electrochemistry.

СERAMICS BASED ON COPRECIPITATION OF NIOBIUM AND TANTALUM PENTOXIDE: STRUCTURE AND PROPERTIES – 397 page.
O.B. Shcherbina, V.V. Efremov, M.N. Palatnikov, S.M. Macloboeba
Abstract: Using methods of probe microscopy and impedance spectroscopy, the structure, mechanical and electrophysical properties of ceramics on the basis of coprecipitated pentoxide Nb2(1-y)Ta2yO5 were investigated.
Keywords: coprecipitated pentoxide, ceramics, micro- and nanostructures, microhardness, Young’s modulus, probe microscopy, impedance spectroscopy, mechanical and electrical properties.

SOME QUESTIONS OF PHYSICS OF STRENGTH OF METAL NANOSTRUCTURES – 408  page.
V.M. Yurov, V.Ch. Laurinas, S.A. Guchenko
Annotation: In the work of the equation is obtained that relates the limit of fluidity of a crystal with its limit of elasticity. The equation is analogous to the known equations of the Hall-Petch. It is shown that, beginning with the critical size of nanocrystal, increase its hardness is replaced by the opposite effect. For a number of metals are given the value of the critical size of nanocrystal.

Keywords: strength, nanostructure, yield strength, tensile elasticity, dimensional effect, thermodynamics.

PHA2012

THE ANALYSIS OF GIBBS ENERGY CHANGE AT EQUILIBRIUM CRYSTALLIZATION OF ALLOYS OF EUTECTIC TYPE BY METHODS OF GEOMETRICAL THERMODYNAMICS – 4 page.
V.D. Aleksandrov, N.V. Shchebetovskaya, O.V. Aleksandrova, O.A. Pokyntelytsia
Abstract: Using geometrical thermodynamics methods possible versions of Gibbs energy are found and their dependence on temperature and concentration of components in a diphasic zone at equilibrium crystallization of alloys of eutectic type.
Keywords: equilibrium crystallization, two-component alloys, geometrical thermodynamics, Gibbs energy.

MOLECULAR-DYNAMICS SIMULATION OF EPITAXIAL GROWTH OF NANOSIZED LEAD HETEROSTRUCTURES ON NICKEL – 10 page.
A.G. Bembel, S.A. Vasilyev, V.M. Samsonov
Abstract: Epitaxial growth of nanosized Pb heterostructures (islands) on faces (100) and (111) of Ni was simulated using the isotheral molecular dynamics. Specific features were revealed of the epitaxy in metallic systems in comparison with Lennard-Jones systems. Configurations of  islands, obtained by the epitaxial growth were compared with those obtained using the crystallization of  nanodroplets on faces (100) and (111) of monocrystalline Ni. Autoepitaxy of Ni was also simulated.
Keywords: epitaxy, nanosized heterostructures, Pb islands on Ni, isothermal molecular dynamics.

THE INFLUENCE OF SEGREGATION ON MORPHOLOGY OF THE (100) CU-4 AT. % MN ALLOY SURFACE -19 page.
K.Ch. Bzhihatlov
Abstract: The influence of thermostimulated segregation on morphology of Cu-22,5 at. % Mn alloy surface was investigated by low energy electron diffraction means. Surface structural perfection of the alloy is estimated by the diffraction reflection.
Keywords: low energy electron diffraction, diffraction peak profile, thermostimulated segregation, Cu – Mn alloy.

RESEARCH OF SURFACE TENSION OF CATALYTIC CLUSTERS ON SUBSTRATE (Fe- SiO2) – 26 page.
S.V. Bulyarsky, A.V. Tsygantsov
Abstract: We investigate the temperature dependence of the surface tension of supported nanoclusters in the gas medium and the influence of some parameters on the cluster size distribution.
Keywords: catalyst, Singular catalyst, Plural catalystscarbon nanotubes, surface tension.

PRODUCTION AND PROPERTIES OF IRON NANOPOWDERS – 30 page.
E.E. Vladimirova, V. Vassil’ev, A. Nosov, T. Karpova
Abstract: Using the method of thermal hydrolysis of six-water chloride of iron in the regenerative atmosphere, the powders of iron were obtained consisting of particles in the size range of 75-150 nanometers. The morphology and magnetic properties of the obtained alloy are investigated.
Keywords: thermohydrolysis, nanoparticles, powders, iron, morphology.

POSSIBILITY OF NEW DATA CARRIERS PRODUCTION ON  THE BASIS OF Ni NANOCLUSTERS  -35 page.
J.J. Gafner, J.V. Golovenko, S.L. Gafner
Abstract: The possibility of Ni nanoclusters is analyzed to be used as information units in the devices of memory constructed on the principle of change of the phase state. The conclusion is drawn, that prominent feature of structurization is accurately distinguishable influence of the size of a particle on its stability. The limiting nanoparticles size at which structural transition necessary for the data recording is defined.
Keywords: data recording, nanoclusters, computer simulations, molecular dynamics, phase transitions.

PRODUCTION OF THE NANOSTRUCTURED COMPOSITE POWDER MATERIALS BY HIGH-SPEED MECHANOSYNTHESIS METHOD – 42 page.
E.Y. Gerashchenkova, B.V. Farmakovsky
Abstract: The most important result of the work is the development of the controlled technological process of the nanostructured composite powder materials production. Varying the technological parameters of the material disintegrator, we can influence on the matrix reinforcing rate during the production process.
Keywords: nanostructured composite powders materials, disintegrator, mechanosynthesis.

FORMATION LAWS FOR STRUCTURAL MODIFICATIONS IN GOLD NANOCLUSTERS -50 page.
J.V. Golovenko, J.J. Gafner, S.L. Gafner
Abstract: On the basis of the tight-binding potential modeling by molecular dynamics method, structurization processes in gold clusters from 1,6 to 5,0 nanometers in diameter were investigated. Influence of crystallization on formation of the internal structure in gold nanoclusters within the limits of the canonical ensemble is investigated. Range of stability various crystal isomers are analyzed.
Keywords: computer simulations, molecular dynamics, tight-binding, FCC metals, nanoclusters, structure.

STUDY OF FORMATION OF SUPRAMOLECULAR STRUCTURES BASED ON NANOCLUSTERED POLYOXOMOLIBDATE MO138 AND CATIONIC SURFACTANT IN SOLUTION – 57 page.
K.V. Grzhegorzhevskiy, A.A. Ostroushko
Abstract: Interaction between toroidal nanocluster Mo138 and cationic surfactant tridecylpyridinium chloride in aqua solution was studied by UV-spectroscopy, FTIR-spectroscopy, dynamical light scattering – we have determined size distribution and  ξ-potential of the system. Due to experimental data we have made a model, which describes interaction mechanism between Mo138 and surfactant in dependence on the component concentrations ratio. The model also has been proved by atomic force microscopy and scanning electron microscopy.
Keywords: nanocluster, surfactant, supramolecular structures, vesicle, globule, interaction model, polyoxomolibdate.

SIMULATION OF EFFICIENCY OF NANOSTRUCTURAL FILTERS FOR CLEANING OF HYDROGEN AT IONIC TRANSFER IN ELECTRIC FIELD – 70 page.
V.N. Grinjuk, O.V. Gudieva, V.A. Sozaev
Abstract: Theoretical model for estimation of the efficiency of nanostructural materials for cleaning of hydrogen from gas impurities, in conditions of applied electric field with energy of ions ranging from 2000 to 6000 eV, has been presented. The graphical dependences of reduced lengths of the free paths of ions in medium, of the permeability and of the barrier-factor of medium on the mass of entering ion and of ion of nanostructure have been plotted. It is shown, that the optimal structure for the cleaning of hydrogen is the structure Zr – 10%Nb.
Keywords: hydrogen, cleaning, gas impurities, electric field, nanostructures.

EFFICIENCY OF PROTECTION OF PHOTOCATHODE OF ELECTRONIC DEVICE BY THE BARRIER NANOSTRUCTURE ON MICROCHANNEL ELEMENT AT EXCHANGE INTERACTION IN SYSTEM ENTERING ION – STRUCTURE – 75 page. 
V.N. Grinjuk, O.V. Gudieva, V.A. Sozaev
Abstract: The aim of this work was to build the correct theory of the ion transport in nanostructured materials and estimation of the protection effectiveness of the photocathode of electronic device in terms of the average free path of positive ions reducing the longevity of photocathode. The influence of the exchange of  inter-ionic interactions on the effect of ion transfer has been considered for the first time and the relation for the true charge of the positive ion entering the nanostructured material has been obtained. The better fit of the data based on the proposed theory with the reference ones has been achieved. The degree of universality of the developed theory has been discussed when considering the transport of ions through any phase boundary in the applied constant electric field.
Keywords: nanostructure, microchannel element, photocathode, ionic interaction.

ENDOHEDRAL RADON-222 СОNTAINING BUCKMINSTERFULLERENE DERIVATIVES С60 AND С80 AS NANOROBOTS-KILLERS OF TUMORS – 80 page.
Е.А. Dikusar
Abstract: The alternative technique treatment of tumor diseases – binary neutron capture therapy – can provide the utilization of radioactive isotopes, consisting inside buckminsterfullerene clusters.
Keywords: Radionuclides, buckminsterfullerenes, oncology, neutron capture therapy, nanorobots-killers of tumors, radon, L-phenylalanine derivatives.

SIMULATION OF THE SEVERE PLASTIC DEFORMATION PROCESS IN NANOCRYSTAL ON THE BASIS OF INTERMETALLIDE – 85 page.
E.A. Dudnik, M.S. Skorobogatov
Abstract: The mechanisms of structural transitions in a nanocrystal on the basis of intermetallic Ni3Al was studied by means of simulation of the process of the severe plastic deformation. For the structure analysis we used the simplexes of Voronoi-Delaunay, which allow tracing the dynamics of the formation of ordered areas in the process of deformation.
Keywords: nanocluster, severe plastic deformation.

WETTING OF ALUMINIUM FILMS ON SILICON BY TIN-STRONTIUM MELTS BEFORE AND AFTER PHOTONIC ANNEALING – 92 page.
K.M. Elekoeva, A.Z. Kashezhev, A.R. Manukyants, M.Kh. Ponegev, A.D. Prokhorenko, V.A. Sozaev
Abstract: The results of experimental study of aluminium films wetting angles (treated with the photonic annealing of various duration) on silicon by tin-strontium melts are presented. The photonic annealing of substrates is found to decrease the values of wetting angles.
Keywords: wetting, polytherms of wetting angles, tin-strontium melts, aluminum films, photonic annealing.

PHOTOCHEMICAL SYNTHESIS OF URANIUM OXIDE NANOCLUSTERS AND THEIR DEPOSITION ON THE SURFACE OF OXIDIZED ALUMINUM  – 97 page.
А.P. Zajogin, D.S. Umriko, А.I. Komyak, Е.V. Vileishikova, S.D. Umreiko
Abstract: The processes of the photochemical formation of nanoclusters of  the tetra- and pentavalent uranium  complexes with organic ligands on light-diode irradiation (430 – 450 nm) of UO2(ClO­4)3•5H2O solutions in acetone were studied by the methods of electronic and IR absorption. The possibility for deposition of the complexes of tetra- and pentavalent uranium from the photocondensation products of acetone on the porous surface of oxidized aluminum was established.
Keywords: spectral analysis, uranium complexes, uranyl perchlorate, band intensity, organic ligands, photocondensation of acetone.

A STUDY INTO THE FORMATION PROCESSES OF URANIUM NANAOCLUSTERS WITH VARIABLE VALENCE WHILE URANYL SOLUTIONS WITH DIMETHYL FORMAMIDE ARE SUBJECTED TO IRRADIATION AND DEPOSITED ON GLASS SURFACE  -103 page.
А.P. Zajogin, D.S. Umreiko, А.I. Komyak, J.I. Buloichik, S.D. Umreiko
Abstract: Using the methods of electronic and IR absorption, we have studied the photochemical formation processes of the complexes between tri-, tetra-, and pentavalent uranium and organic ligands when the solutions of UO2(NO3)3•6H2O in dimethyl formamide, UO2(NO3)3•6H2O in dimethyl formamide with the addition of CCl4, and UO2(ClO4)3•5H2O in dimethyl formamide were subjected to the effect of light-diode radiation (430-450 nm). The possibility for deposition of the complexes of tetra- and pentavalent uranium on the glass surface was established.
Keywords: spectral analysis, uranium complexes, organic ligands, variable valence, photochemical cluster formation processes.

PHYSICAL AND CHEMICAL PROPERTIES OF THE AMORPHOUS NANOPOWDER Gd2O3 – 108 page.
V.G.Il`ves, M.G.Zuev, S.Yu.Sokovnin, S.A. Uporov
Abstract: By means of pulsed electron beam evaporation in vacuum Gd2O3 amorphous nanopowder was produced with a specific surface area 155 m2/g. The powder consisted of agglomerates of size from tens up to several hundred nm and aggregates formed of amorphous-crystalline particles of  near spherical shape and size of 3-10 nm with very narrow size distribution. Magnetic and luminescent properties of the powder were measured at room temperature. Phase transformations in the powder are studied at heating to 1400 °C. The amorphous phase Gd2O3 was thermally stable up to temperature of 1800 °C.
Keywords: оxide gadolinium, nanopowder, pulsed electron beam, phase transformations.

PHYSICAL MODEL OF AGGLOMERATION OF THE DISPERSE PRECIOUS NOBLE METALS UNDER EFFECT OF LASER BEAM – 115 page.
Abstract: The effect of the continuous laser radiation was investigated on the mineral medium containing gold, not extracted by gravitational methods. A physical model of the gold agglomeration and concentration was put forward on the basis of theory of thermocapillary convection of disperse particles.
Keywords: laser radiation, disperse gold, defragmentation, agglomeration, surface tension, thermocapillary convection.

THE INVESTIGATION OF THICKNESS DEPENDENCES OF REFRACTIVE INDEX FOR NANOSIZED ETHANOL FILM BY ELLIPSOMETRIC METHOD – 122 page.
D.A. Kim, N.Yu. Sdobnyakov, N.V. Novozhilov, A.S. Antonov, D.N. Sokolov, E.A. Voronova, O.V. Mikhailova
Abstract: On the basis of analyzing the spectrum of the ellipsometric angles ∆ and ψ the investigation of thickness dependences of refractive index for nanosized ethanol film on silicon and glass surface using the photometric spectral ellipsometer was carried out.
Keywords: ellipsometry, ethanol, nanosized film, index of refraction.

SIMULATION OF THE COALESCENCE PROCESS OF GOLD NANOPARTICLES BY MONTE-CARLO METHOD – 129 page.
N.Yu. Sdobnyakov, A.Yu. Kolosov, P.V. Komarov, D.N. Sokolov
Abstract: The simulation of the coalescence process of gold nanoparticles for different initial configuration by Monte-Carlo method was carried out. The interaction between nanoparticles was described by many-body Gupta potential. It was determined that in some cases the nanoparticles coalescence could happen under much lower temperatures than the temperature of crystal-liquid phase transition for the current size of nanoparticles. Moreover, the coalescence doesn’t happen at all at certain distances between nanoparticles of an initial configuration. The evolution of the neck formed at the coalescence of different-sized particles was investigated.
Keywords: gold nanoparticles, coalescence, Monte-Carlo method, Gupta potential, phase transition, neck.

THE SURFACE RELIEF ANALISIS OF Sm(Co, Cu)5 SINGLE CRYSTALS BY ATOMIC–FORCE MYCROSCOPY – 143 page.
Yu.V. Kuznetsova, E.L. Ayriyan, O.B. Dyogteva, N.P. Suponev
Abstract: The relief of Sm(Co,Cu)5 single crystal surfaces is investigated by AFM methods. The analysis of surface images of all samples is carried out by using the scanning probe microscope SOLVER P47 software.
Keywords: microstructure. scanning-probe microscopy, rare–earth intermetallic.

LIGHT ABSORPTION AND SCATTERING IN THE POLYMER COMPOSITE NANOMATERIALS BASED ON CADMIUM SULFIDE – 147 page.
D.M. Kul`batskiy, N.M. Ushakov
Abstract: The results of the experimental investigations and calculations of the coefficient of collimated optical absorption and scattering coefficients by the «adding-doubling» method in the polymer composite nanomaterials based on cadmium sulfide are represented. Detected peak scattering at 590-950 nm depending on the size of the nanoparticles is discovered.
Keywords: nanocomposite, nanoparticle, optic properties, scatter coefficient.

THE EFFECT OF MAGNETIC PRESSURE ON THE SURFACE TENSION FOR METALS IN THE SOLID STATE – 154 page.
V.K. Kumikov
Abstract: The paper is devoted to the analysis of systematic errors, arising during the high-temperature measurements of surface tension for metals in the solid state by the compensation zero creep method. The source of the errors assisted with electric heating is the pinch effect in the sample, which substantially effects on the measuring value and should be taken into consideration by the special correction.
Keywords: surface tension, zero creep, magnetic pressure, pinch effect.

THE DEVICE FOR THE MEASUREMENTS OF SURFACE TENSION FOR METALS IN THE SOLID STATE – 159 page.
V.K. Kumikov
Abstract: The shortcomings of compensation zero creep method for the measurements of surface tension for metals σ in the solid state and obstacles of high-temperature measurements in vacuum are analyzed in present paper. The device for σ measurement, in which the shortcomings of traditional methods were eliminated, is suggested.
Keywords: surface tension, zero creep.

SORPTION OF COPPER IONS FROM THE WATER SOLUTION BY PARTICLES OF NANOSIZED MAGNETITE – 165 page.
O.D. Linnikov, I.V. Rodina, A.P. Tjutjunnik, V.G. Shevchenko, А.Е. Yermakov, I.V. Medvedeva, А.А. Mysik, M. А. Uimin, Platonv V.V., Osipov V.V.
Abstract: Sorption of copper ions from water solution by nanosized magnetite performed by three different methods was studied. It was shown that magnetite is effective sorbent for removing copper ions from polluted natural waters and sewage. The obtained data testify that the process of sorption of copper ions by magnetite has chemisorptions character.
Keywords: magnetite, ions of copper, sorption, nanoparticles, chemisorptions.

SIZE DEPENDENCIES FOR THE SURFACE CHARACTERISTICS OF NANO-DIAMOND WITH THE VARIATION OF ISOTOPE COMPOSITION – 172 page.
M.N. Magomedov
Abstract: In this paper we present calculated isothermal-isomorphic dependencies of specific surface energy (σ), its isochoric derivative respecting to the temperature (σ’), and surface pressure (Psf) versus size of nano-diamond of 12C and 13C at 100K and 4300K. It is shown that ratio σ(12C)/ σ(13C) decreases at reduction of the size along both isotherms, but σ’(12C)/ σ’(13C)  – increases at reduction of the size as appreciably, as temperature is lower. The ratio (13C) increases with reduction of the size as appreciably, as temperature is higher.
Keywords: diamond, isotopes, nanocrystal, Debye temperature, Gruneisen parameter, surface energy, surface pressure, size compression.

INVASTIGATION INTO NANOSTRUCTURED FUNCTIONAL COATINGS FOR DIFFERENT APPLICATIONS BY USING OPERATIVE METHODS OF CONTROLE – 181 page.
A.K. Mazeeva, A.A. Ramaldanova, N.V. Yakovleva, T.I. Bobkova, E.Yu. Geraschenkova, B.V. Farmakovsky
Abstract: This paper describes methods, used in FSUE “CRISM “Prometey”, such as scanning electron microscopy, X-ray diffractometry, scanning probe microscopy, optical microscopy, X-ray fluorescent elemental analysis and others for analysis of designed coatings structure.
Keywords: structure test, microscopy, X-ray diffractometry, X-ray fluorescent analysis, chemical composition, phase transformation, porosity, calorimetry, coating.

FORMATION OF NANOSTRUCTURES ON THE SURFACE OF BISMUTH SINGLE CRYSTALS IN THE ATOMIC HYDROGEN’S ATMOSPHERE – 189 page.
O.I. Markov, Yu.V. Hripunov
Abstract: The AFM-research of the surface morphology of a bismuth cleavage single crystal after exposure in the environment of atomic hydrogen was conducted. It was found that the surface topography changes due to nanoscale structures.
Keywords: atomic hydrogen, bismuth, self-organization.

MICROWAVE DIELECTRIC CONSTANT AND ATTENUATION IN POLYMER NANOCOMPOSITE MATERIALS BASED ON NANOPARTICLES OF IRON AND CADMIUM SULFIDE – 195 page.
S.Yu. Molchanov, N.M. Ushakov
Abstract: The results of the study of the complex dielectric constant and loss tangent at frequencies from 1GHz to 12GHz in the samples of polymer composite nanomaterials based on iron oxide and cadmium sulfide in the bulk stabilized polypropylene and on the surface of teflon, respectively are shown. The studies were conducted in an open atmosphere at room temperature.
Keywords: nanocomposite, nanoparticle, dielectric properties, microwave frequency.

RESEARCH OF CORROSION STABILITY OF THE NANOSTRUCTURAL NITINOL  – 200 page.
E.O.Nasakina, M.A.Sevostyanov, A.S.Baikin, A.G.Kolmakov, V.T.Zabolotny
Abstract: During the work the structure and corrosion stability in buffer solutions of various acidity of the nanostructural nitinol after various processing was investigated. Concentration of metals in the
solution was measured by means of the atom-issue spectrometer with induction plasma. The greatest concentration of metals was observed in the most acid environment, slightly smaller in physiological solution. It is established that thermal processing reduces corrosion stability of the material.
Keywords: nitinol, nanostructure, corrosion  stability, buffer solutions.

SYNTHESIS AND MAGNETIC PROPERTIES OF Y1-xSrx­FeO3 NANOCRYSTALS (x = 0.0 AND 0.2) – 206 page.
Nguyen Anh Tien
Abstract: The YFeO3 and Y0,8Sr0,2FeO3 nanocrystals with an average particle size < 30 nm have been prepared by the co-precipitation method in aqueous solution of sodium carbonate containing theY3+, Sr2+ and Fe3+ ions. Magnetization and coercive force of the doped ferrite Y0,8Sr0,2FeO3 were higher than of the pure YFeO3, such characteristics could be a result of presence of Sr2+ ions increasing anisotropy of magnetic crystals.
Keywords: coprecipitation, YFeO3 and Y0,8Sr0,2FeO3 nanocrystals, coercivity, magnetization characteristic.

PALLADIUM NANOPARTICLES AS CATALYST OF ISOTOPE EXCHANGE MOLECULAR HYDROGEN REACTION – 212 page.
A.A Odintsov, M.O. Sergeev, O.A. Boeva
Abstract: It has been detected, that the size of metal nanoparticles has an influence on adsorption properties and catalytic activity of deposited palladium catalysts used in H2 – D2 exchange reactions and ortho-para protium conversion reactions. Nanoparticles have been obtained by the method of radiation-chemical reduction using reverse-micellas solutions. The structure and the size of prepared nanoparticles of palladium have been also studied.
Keywords: Nanoparticles, palladium, catalytic activity, catalysis, size effects, isotope exchange, reverse-micellas solution.

STRUCTURE AND MECHANICAL PROPERTIES OF CERAMIC COPRECIPITATE OF PENTOXIDE Nb2(1-y)Ta2yO5 – 219 page.
M.N. Palatnikov, O.B. Shcherbina, V.V. Efremov, A.A.Janichev, N.V. Sidorov*, V.V. Pasechnyi
Abstract: In this paper we studied the structure and mechanical properties of ceramics Nb2O5 and ceramics based on coprecipitated pentoxide Nb2(1-y)Ta2yO5, and the effect of treatment with concentrated light flows (CLF) on the structure and properties of these materials, using scanning probe microscopy and Raman spectroscopy (RS).
Keywords: concentrated light flows, the coprecipitate pentoxide, Raman spectra, micro-and nanostructures, micro-hardness, Young’s modulus, strength.

SYNTHESIS OF THE NANOCLUSTERS OF ZINC AND COPPER OXIDES FROM SOLUTIONS OF ORTHOPHOSPHATES ON LASER ABLATION OF POROUS SAMPLES – 230 page.
М.P. Patapovich, Trinh Ngoc Hoang, Le Thi Kim Anh, A.P. Zajogin
Abstract: Spectroscopic studies of the surface laser plasma formed close to the porous body containing nanoquantities of different zinc and copper salts subjected to the effect of double laser pulses were performed. The possibility to develop the methods for the production of metal oxide nanoclusters was demonstrated. The quantity and the composition of metal oxide clusters could be varied depending on the concentration of the starting metals in the solutions used.
Keywords: nanoclusters, pulsed laser sputtering, surface laser plasma, laser spark spectrometry, metal oxides, double laser pulses.

EQUATION OF STATE VAN DER WAALS AND ITS MODIFICATIONS IN MODEL FOR INTERACTING POINT CENTER – 235 page.
G. Petrik
Abstract:  In this paper we show that the set of two- and three-parameter equations of state (EOS) of the van der Waals type, considered empirical modifications of van der Waals EOS, after reformulation can be regarded as physically grounded EOS belong to single families of the new equations obtained by the author on the basis of interacting point centers model. EOS different manifestation of forces of attraction and repulsion between the model objects reflected in the values of the control parameters of the model.
Keywords: model of the properties, point centers, equations of state of the van der Waals type, the control parameters, a family of equations of state, intermolecular interaction.

THE MOLECULAR DYNAMICS OF THERMOACTIVETED PROCESS FORMING OF INTERFACE STRUCTURE FOR 3D ME/C COMPOSITION LAYERED COMPOSITES – 248 page.
V.A. Polukhin, R.M. Belyakova, E.D. Kurbanova, A.Y. Galashev
In this article we presented the analysis of molecular dynamic simulations results. The specificities of thermoactivated structure phase changes in 3D Me/C interface forms with grapheme layers and 3D transition metal surface planes have been revealed. The relaxation transition of interface Me-C coordinations and the forming of two-dimensional  ring clusters, as the sites of new superlattices  have been observed. The correlation of short and long range ordering have been classified.
Keywords: molecular dynamic simulations, thermoactivation, interface, composite, structure phase changes, nanostructure.

THERMODYNAMIC APPROACH TO THE PROBLEM OF THE SIZE DEPENDENCE OF THE THIN FILM MELTING TEMPERATURE – 257 page.
V.M. Samsonov, A.G. Bembel, D.N. Sokolov, N.Yu. Sdobnyakov
Abtract: Size dependences of the melting temperature for supported thin films were calculated using relations obtained earlier. A conclusion is made that the most noticeable size effect should be expected when the film is characterized by the anomalous temperature dependence of the film substance density.
Keywords: size dependence, melting temperature, supported thin films.

DEPENDENCE OF EXCESS FREE ENERGY AND DISJOINING PRESSURE OF THE NECK FORM BETWEEN TWO SPHERICAL NANOPARTICLES – 264 page.
N.Yu. Sdobnyakov, A.Yu. Kolosov, D.N. Dokolov, A.S. Antonov, A.N. Bazulev
Abstract: On the basis of thermodynamic perturbation theory the calculations of the excess free energy and disjoining pressure for the liquid neck between two spherical nanoparticles have been carried out using different approximations for the neck form. In terms of disjoining pressure the liquid neck stability has been analyzed.
Keywords: neck, excess free energy, disjoining pressure.

SEGREGATION ENERGY AND SURFACE COMPOSITION OF THE Cu-Mn ALLOYS ACCORDING TO AUGER ELECTRON SPECTROSCOPY – 270 page.
I.N. Sergeev
Abstract: The composition of topmost atomic layers of single crystal solid solution (100)Cu-4 at. % Mn was studied in the range of  T = 300..875K by AES. Data on the surface composition are compared with the results for polycrystal Cu-22,5 at. % Mn, obtained in previous work. It is shown that in the nonequilibrium region segregation is determined by the diffusion length of Mn in Cu. For equilibrium state are defined the segregation energy and other thermodynamic parameters of the surface.
Keywords: Cu-Mn alloys, Auger electron spectroscopy, surface segregation, segregation energy, diffusion length.

THE ENERGY CONSERVATION LAW IN QUANTUM DISTURBANCE THEORY – 277 page.
L. Skopich
Abstract: It is demonstrated, that usual application of certain formulas in limits of the first approximation of the quantum perturbation theory is unsubstantial. Besides, it has been refused current opinion about the energy conservation law’s violation for little interval of time between initial and final states considered system.
Keywords: energy conservation law, quantum mechanics, perturbation theory.

THE STUDDING OF INFLUENCE OF GAS CONCENTRATION IN A VACUUN CHAMBER ON MICROSTRUCTURE AND PHISICO-MECHANICAL PROPERTIES OF FILMS BASED ON THE Ti-Al-N – 281 page.
T.O. Soshina
Abstract: The effect of nitrogen (N2) in the gas mixture on the phase composition, surface morphology, structural characteristics and physico-mechanical properties of films based on Ti – Al – N, formed by pulsed magnetron sputtering has been investigated. Polycrystalline film with a unique set of physical and mechanical properties have been obtained at the optimum of  nitrogen (N2) concentration in the gas mixture.
Keywords: magnetron sputtering, concentration of nitrogen in the gas mixture, phase structure, a microstructure, physico-mechanical properties.

PROPERTIES OF COMPOSITES BASED ON IRON OXIDE NANOPARTICLES IN LOW DENSITY POLYETHYLENE MATRIX – 290 page.
A.N. Ul’zutuev, N.M. Ushakov
Abstract: The results of studies of the dielectric and optical properties of composites based on iron oxides nanoparticles are received. The studies were performed in the temperature range 30-100°C  at frequencies of kHz and MHz, and at wavelengths of 600 – 1000 nm.
Keywords: nanocomposite, nanoparticle, dielectric properties, optical properties.

THE FORMATION OF TiO NANOCLUSTERS IN THE SURFACE LASER PLASMA WHEN TITANIUM AND BARIUM TITANATE ARE SUBJECTED TO THE EFFECT OF DOUBLE LASER PULSES – 296 page.
Fadaeian Ahmad Reza, S.V. Protsenko, А.P. Zajogin
Abstract: The effect of an additional laser pulse on the formation of the composition and charge state of the surface laser plasma was studied by the laser spark spectrometry (LSS) method. It was shown that there is a possibility for an increase in the portion of titanium ions during ablation of the titanium alloy surface and barium titanate ceramics by double laser pulses as well as of clusters under the effect of a series of double laser pulses on the target.
Keywords:  radicals, pulse laser sputtering, surface laser plasma, laser spark spectrometry, multicharged ions, double laser pulses.

MODELING A FORMATION OF NANOSTRUCTURES ON POLYPYRROLE -302 page.
M.M. Falchary, N.K. Plugotarenko
Abstract. In this paper we carry out simulation of electrically conductive polymer nanostructured materials by the example of polypyrrole. Implementation of modeling was performed by the Wang-Landau and entropic Monte Carlo simulation based on a model with a fixed valence angle. For modeling polymerization process we used an algorithm based on the principles of irreversible aggregation of Eden.
Keywords: nanostructure, Hartree-Fock energy, gas sensitive materials, mathematical modeling, Monte Carlo, quantum-chemical calculations.

MODEL FORMING NANOSTRUCTURE IN HIGH-CARBON WIRE IN THE PROCESS OF RADIAL-DISPLACEMENT BROACH – 309 page.
V.A. Kharitonov, M.Yu. Usanov
Abstract: In this work we showed that techniques such as drawing and broaching in roller don’t let intensively to grind grain. Effective way of grind grain is radial-displacement broach. This paper also contains the results of modeling radial-displacement broach.
Keywords: wire, nanostructure, monotony, deformation, drawing, broaching, radial-displacement broach, accumulated deformation.

SYNTHESIS OF CALCIUM AND ALUMINUM OXIDES FROM SOLUTION OF PHOSPHATES ON LASER ABLATION OF POROUS SAMPLES – 314 page
Trinh Ngoc Hoang, M.P. Patapovich, Le Thi Kim Anh, Pham Uyen Thi, A.P. Zajogin
Abstract: The spectroscopic investigations of the surface laser plasma formed close to the porous body containing nanoquantities of different calcium and aluminum salts under the effect of two successive laser pulses were performed. The possibility for the development of methods to obtain the nanoclusters of metal oxides was demonstrated. Depending on the concentration of the starting metals in the solutions used, one can vary both the quantity and composition of the metal oxide clusters.
Keywords: pulsed laser sputtering, surface laser plasma, laser spark spectrometry, metal oxides, double laser pulses.

THE INTERFACE ENERGY OF SMALL METAL PARTICLE ON THE BOUNDARY WITH SELF-MELTING – 319 page.
I.G. Shebzukhova, L.P. Arefjeva, Kh. Khokonov
Abstract: The electron-statistical method is used to determine the dimensional dependences of the interfacial energy of the rhodium small particles on the boundary with self-melting. Interface energy was calculated for spherical and cubic particles. The oscillation and dispersion corrections were taken into account. The formulas for polarization correction and temperature contribution were modified.
Keywords: small particles, dimensional dependences, interface energy.

OBTAINING NANODIAPERSE OXIDE ELECTROLYTS WITH IONIC CONDUCTIVITY USING POLYHYDRIC ALCOHOLS IN SHS METHOD  – 326 page.
S.N. Shkerin, O. I. Gyrdasova, A.V. Nikonov, V. N. Krasil’nikov
Abstract: By method of self-evaluation high-temperature synthesis (SHS) single phase superfine powder was obtained: CeO2, doped transition elements, solid electrolytes La0,88Sr0,12Ga0,82Mg0,18O2,85  and La0,5Sr0,5Ga0,05Mg0,95O2,85. As a combustible, ethylene glycol, glycerol, and their mixtures in various proportions were used.
Keywords: solid electrolytes, the conductivity, nanomaterials, self-evaluation high-temperature synthesis.

EFFECT OF NANOSTRUCTURE ON PARAMETERS AND CONFIGURATION OF Sm-Zr-Co-Cu-Fe ALLOYS MAGNETIC DOMAINS – 333 page.
M.B. Lyahova, E.M. Semenova, N.P. Suponev, R.P. Ivanov, E.L. Ayriyan
Abstract: The results are presented of the magnetic domain structure research in  nanostructured heterogeneous rare-earth intermetallide of the Sm-Zr-Co-Cu-Fe type. The domain structure was investigated using optical and magnetic force microscopy. A Comparative analysis was carried out of nano- and domain structure parameters. It has been shown that the nanosized cell structure, being formed in these materials as a result of the thermal treatments, yields a transformation of magnetic domains. Parameters of the domains in questions in basic structure of alloys were determined.
Keywords: magnetic domain structure, nanostructure, magnetically hard alloys.

PHA2011

CALCULATION OF NUCLEATION ON CRYSTALLIZATION OF MELTS COOLING CURVE – 5 page.
V.D. Aleksandrov, V.V. Dremov, V.A. Postnikov, N.V. Shchebetovskaya
Annotation: The method of calculation of parameters of nucleation and mass crystallization of melts (the degree of crystallinity, the heat coagulation of the germ, the critical size of crystal germ and others) on cooling curves.
Keywords: crystallization, nucleation, cooling curves, the parameters of nucleation.

ON RESOLUTION OF ELECTRON IMAGES OF DEVISED DEVICES COVERED WITH NANOTECHNOLOGICAL FILMS – 13 page.
E.A. Acheeva, V.N. Grinyuk, V.A. Sozaev
Annotation: The possibility for optical resolution of electron-optic transformers by means of selection of initial energy of electrons within the film of thicknesses 46÷282 nm has been shown.
Keywords: nanotech films, electron-optical converter, the blur parameter of the electron energy.

STANDARD ENTHALPIES OF FORMATION OF CLUSTERS IN Pb-Bi SYSTEM  IN VAPOUR AND CONDENSED PHASES – 16 page.
N.M. Barbin, D.I. Terentev, S.G. Alekseev
Anotation: The standard enthalpies of formation of clusters in condensed phase of Pb-Bi system were calculated by Miedema method. Also, the standard enthalpies of formation of clusters in vapour phase of Pb-Bi system were calculated.
Key words: intermetallic compound, clusters, Pb-Bi system, standard enthalpy of formation.

THE INFLUENCE OF THERMOSTIMULATED SEGREGATION ON PLASMON RESONANCE AND VALENCE ELECTRON DENSITY IN SURFACE LAYER FOR THE CuMn ALLOY – 20 page.
K.Ch. Bzhihatlov, I.N. Sergeev
Annotation: The influence of thermostimulated segregation on surface electrons properties of polycrystalline Cu-22,5 at. % Mn alloy was investigated by REELS and AES means. Dependences of valence electrons density on temperature, structure and depth of surface layer are calculated by plasmon energy (Eb), extracted from loss spectra. Estimation of local physical properties of a surface is discussed using Eb.
Keywords: reflection electron energy loss spectroscopy, Auger electron spectroscopy, plasmon, valence electron density, Cu-Mn alloys.

QUANTUM-CHEMICAL MODELING BI CLUSTERS -27 page.
E.N. Gribanov, O.I. Markov, Yu.V. Khripunov
Annotation: In this paper results of calculations by quantum-chemical methods of structure and power parameters of nanoclusters of bismuth Bi8, Bi18, Bi50, Bi98, Bi162 are presented.
Keywords: cluster, bismuth, semiconductor – semimetal transition.

FORMATION OF NANO SIZE CLUSTERS IN ALLOYS DURING THE PROCESS  OF FORMATION OF SUBMICROCRYSTALLINE STRUCTURE AT INTENSIVE  PLASTIC DEFORMATION – 33 page.
A.I. Deryagin, V.A. Zavalishin, V.V. Sagaradze, V.А. Ivchenko, B.M. Efros
Annotation: It was found out the process of nuclear stratification of alloys Fe58Ni30Cr12 (mac.%) under the influence of strong plastic deformation at room temperature. Intensity of increase of Ni concentration (and respective pauperization of Fe) in clusters with  size more than ~1,5 nm is ~2,5% per unit of logarithmic  deformation, the share of clusters with the structure which is distinct of a matrix more than 5% is up to 10% of value under the strong deformation.
Keywords: cluster, dot defects, superparamagnetism, specific magnetization, intensive deformation.

THE THERMODYNAMIC ANALYSIS OF CONDITIONS OF DISSIPATIVE PHASES OCCURRENCE AT INTERACTION OF INTERMETALLIC COMPOUNDS MICROCRYSTALS  – 39 page.
V.V. Zhigunov, A.A. Alehina 
Annotation: Conditions of occurrence during diffusion interaction between intermetallic compounds the phases which are absent on the phase equilibrium diagram of binary system is received by methods of nonequilibrium nonlinear thermodynamics.
Keywords: Nonequilibrium nonlinear thermodynamics, dissipative phases, diffusion interactions, microcrystals, intermetallic compound.

THE MATHEMATICAL DESCRIPTION OF PROCESS OF PHASES FORMATIONS DURING OBTAINING MICRO- AND NANOCRYSTALS – 47 page.
V.V. Zhigunov, A.I. Lavit
Annotation: A variant of shock-capturing method for Stefan problem solution involving emerges with modeling of diffusion in multiphase solid body is proposed. Generalized Galerkin method is used because its coordinate functions not obliged to satisfy natural boundary conditions. Time integration is executed with Crank-Nicholson finite-difference scheme. Space integration is executed with finite element method.
Keywords: Diffusion, multiphase binary system, microcrystals, intermetallic compound, mathematical modelling.

INVESTIGATION OF THE FORMATION PROCESSES OF ULTRADISPERSE URANIUM OXIDES FROM NITRATE COMPOUNDS OF URANYL UNDER THE EFFECT OF DOUBLE LASER PULSES – 51 page.
A.P. Zajogin, D.S. Umreiko, A.I. Komyk, A.A. Zajogn
Annotation: During the spectroscopic investigation of the laser plasma formed close to the surface of a porous body, containing microquantities of uranyl nitrate with organic ligands, subjected to the effect of high-power sequential laser pulses the possibility to form the specific ion, atom, and molecular composition of the plasma and the particular forms of uranium oxides in it using the organic ligands with different methyl groups was demonstrated.
Keywords: ultradisperse uranium oxides, uranyl nitrates, organic ligands, porous bodies, double laser pulses.

MECHANISM, KINETICS OF FORMATION AND GROWING NONLINEAR CRYSTALS FOR OPTOELECTRONICS – 57 page.
B.I. Kidyarov
Annotation: The goal of this paper is the further development of theory and methods of kinetics and mechanisms of the crystal nucleation and growth as well as a systematic experimental research of the crystal genesis. We also aimed on a systematic analysis of the available data on the relationship of structural properties of crystals and liquid phases with the processes of the formation and growth. On the basis of this analysis, general methods of design and growth of perfect inorganic crystals may be proposed including production of some known and new acentric crystals for fundamental and allied physics.
Keywords: nonlinear optical crystals (NLO crystals), crystals of centrosymmetric (CS crystals), crystals of noncentrosymmetric (NCS crystals), crystal nucleation, crystal growth.

THE INVESTIGATION OF NANOSIZED SILICON DIOXIDE FILM STRUCTURES BY ELLIPSOMETRIC METHOD – 87 page.
D.A. Kim, N.Yu. Sdobnyakov, D.N. Sokolov, E.A. Voronova, O.V. Mikhailova, T.Yu. Zykov
Annotation: On the basis of analyzing the spectrum of the ellipsometric angles Δ и  ψ the definition of thickness layer SiO2  on the different substrates using the photometric spectral ellipsometer has been held.
Keywords: ellipsometry, silicon dioxide, nano-sized film, the film thickness, 3D-profile of the films.

SELF-ASSEMBLY OF NANOWIRES: COMPUTER SIMULATION OF DNA MACROMOLECULES – 96 page.
P.V. Komarov, P.S. Kutilin, L.V. Zherenkova, N.Yu. Sdobnyakov, D.N. Sokolov
Annotation: The Monte Carlo method is employed to study the conditions of self-assembly of nanowires in the matrix of DNA in aqueous solution by Monte Carlo method. The metal coating is formed as a result of electrostatic interaction of negatively charged groups of the matrix molecule and positively charged functionalized gold nanoparticles. The model parameters are estimated at which continuous metal coatings are formed via self-assembly.
Keywords: potential Gupta, Monte Carlo, the self-assembly of nanowires, DNA.

MEСHANOСHEMICAL SPECIFICITY OF METALS POLISHING WITH TRIBOCHEMICAL ACTIVE ABRASIVE MATERIALS – 106 page.
L.F. Koroleva, S.V. Smirnova
Annotation: Meсhanoсhemical concept is proposed as a tribochemical process of metals polishing consisting of two stages: the first oxides films formation on metal surface by friction, the second stage of activation is linked to the destruction and removal of film. It is shown that the process of defining the quality of polishing metals, it is the process of formation of oxide film on the surface and its remove.
Keywords: мechanochemical finish polishing, oxides solid solutions, deformation, oxides film, kinetics, surface roughness.

THE INFLUENCE OF NANOSTRUCTURE ON THE MAGNETIZATION REVERSAL PROCESSES IN HETEROGENEOUS R‑Zr‑Co‑Cu‑Fe ALLOYS – 114 page.
M.B. Lyakhova, E.M. Semenova, N.P. Suponev, R.P. Ivanov
Annotation: Investigation of nanostructure by the methods of AFM of heterogeneous alloy  (Sm0,5 Gd0,5) 0,85 Zr0,15(Co0,690Cu0,088Fe0,222) 6,0 after different heat treatment processes are present in this paper. It is shown that “cell” structure forms in the two main structural components of the alloy during heat treatment processes. This type of structure provides high coercive state in this type of alloys.
Keywords: high coercive state, nanostructure, heterogeneous hard magnetic alloy, atomic force microscopy.

ON THE CHANGE OF THE SURFACE ENERGY UNDER THE ALL-ROUND COMPRESSION OR SPRAINING OF THE CRYSTAL – 120 page.
M.N. Magomedov
Annotation: Expressions for the dependencies of the specific surface energy σ  and its isochoric derivative with respect to the temperature (∂σ/∂T)V versus of the relative volume V/V0 of the simple matter crystal are received. It is shown that isotherm σ (V/V0) has a maximum at (V/V0)max<1 , it decreases at compression or spraining, and it is passing at the definite value (V/V0)frS<(V/V0)max<1 and (V/V0)frL>1 to negative region: σ (V/V0) fr=0 . It must cause the fragmentation of the crystal at V/V0<(V/V0)frS or V/V0<(V/V0)frL.
Keywords: surface energy, Debye temperature, Gruneisen parameter, compression, spraining, neon, iron, fragmentation, Earth’s core.

THE APPLICATION OF CELLULAR AUTOMATION MACHINE SOFTCAM FOR THE MODELING OF Si NANOCRYSTALS FORMATION IN A SiOx MATRIX – 129 page.
I.V. Matyushkin, S.V. Korobov
Annotation: The mathematical model is developed and realized by means of cellular automation machine SoftCAM. At the adopted parameterization the simulation results are consistent with the experimental data satisfactorily.
Keywords : cellular automata, self-organization, silicon nanocrystals.

SEDIMENTATION OF NANOPOWDER OF MAGNETITE IN WATER SOLUTION IN A GRADIENT MAGNETIC FIELD -134 page.
I.V. Medvedeva, O.D. Linnikov, M.A. Uimin, A.Ye. Yermakov, A.A. Mysik, I.V. Bysov, T.A. Nabokova, S.V. Zhakov, V.G. Gaviko, N.N. Shchegoleva, V.A. Tsurin, I.V. Rodina, V.V. Platonov, V.V. Osipov, A.V. Hankova
Annotation: Sedimentation of nanopowders of magnetite in a water solution at presence and absence of a gradient magnetic field accelerating sedimentation is studied on special laboratory setup. It is shown that in water solution there is a formation of aggregates of the micron sizes from nanoparticles of magnetite. A major factor leading to aggregation of nanoparticles of magnetite in micron clusters is the magnetic attraction between particles.
Keywords: Sedimentation, magnetite, aggregation, nanoparticles, magnetic field

RESEARCH OF MONOMETALLIC AND BINARY FCC-CLUSTERS WITH THE SYMMETRY AXIS OF THE FIFTH ORDER – 143 page.
V.S. Myasnichenko, M. D. Starostenkov
Annotation: The formation of atomistic structures of Cu, Au, Ag Cu-Au clusters was studied in the computer molecular dynamics experiment. The simulation of the crystallization process of clusters with the number of atoms from 300 to 1092 is executed. The structure of cluster searched by the method of common neighbors analysis. The decahedron-shaped structure of bimetallic Cu-Au cluster with seven completed icosahedral cores was obtained. The principles of the construction of bimetallic clusters with several icosahedral cores were offered.
Keywords: nanocluster, axe, icosahedron, fractal.

STUDY OF SYNTHESIS OF LaFeO3 NANOCRYSTALS -150 page.
Nguyen Anh Tien, Nguyen Tuan Khanh, Tran Thi Thuy Dung
Annotation: Nanocrystalline LaFeO3 is prepared by sol-gel method using citric acid and oleic acid as surface-active substances. The results demonstrate that after sintering at 850°C in 3 hours, we obtain LaFeO3 nanocrystals, sized < 50 nm, independent on which acid was used. The present of citric acid not only reduces the average particle size of powders LaFeO3, but also increases their surface area in comparison with oleic acid.
Keywords: sol – gel method, LaFeO3 nanocrystals, oleic acid, citric acid, surface-active substances, surface area of powders.

PHYSICAL AND CHEMICAL METHODS FOR STUDYING POLYOXOMENALATS NANOCLUSTER AND COMPOSITIONS ON THEIR BASIS – 156 page.
A.A. Ostroushko, M.O. Tonkushina, V.Yu. Korotaev, A.P. Safronov, K.V. Grgegorshevskii, N.A. Martynova, I.B. Kutyashev
Annotation: Experience of complex attestation and studying of physical and chemical properties of nanocluster polyoxometalats and polymer-containing compositions on their basis with use of some independent methods is generalized. Identification possibility of produced compounds from the point of view of their structure, a crystallography and definition of transport parameters, photochemical and other properties is shown.
Keywords: Polyoxomolybdates, nanocluster, polymer-containing compositions, physical and chemical methods of studying and the characteristic.

THERMODYNAMIC THEORY OF MELTING IN SMALLEST PARTICLES – 163 page.
V.A. Pavlov
Annotation: Depression of melting temperature at diminution of particle diameter was first observed a hundred years ago. In this article there are offered formulae describing this effect satisfactorily when the number of atoms in an argon particle is over a dozen.
Keywords: nanothermodynamics, differential chemical potential, integral chemical potential, surface tension.

EFFECTS OF CONCENTRATED LIGHT FLOWS ON MECHANICAL PROPERTIES AND STRUCTURE OF CERAMIC PENTAOXIDE NIOBIUM – 167 page.
M.N. Palatnikov, O.B. Shcherbina, V.V. Efremov, N.V. Sidorov
Abstract: Investigating the effect of concentrated light beams on the structure and mechanical properties of ceramic Nb2O5. Under the influence of high-energy light in Nb2O5 ceramics produced micro-and nanostructure of fractal type and is caused in part “island” structure of the crystal lattice. Ceramic Nb2O5, exposed high-energy light radiation has improved mechanical properties (microhardness, strength, fracture toughness, fragile micro strength).
Keywords: concentrated light beams, the Raman spectroscopy, micro-and nanostructures, micro-hardness, Young’s modulus, strength, fracture, fragile micro strength.

SYNTHESIS OF CALCIUM OXIDE NANOCLUSTERS FROM THE SALTS INTRODUCED INTO PORIOUS BODIES ON LASER – CHEMICAL  ACTIVATION OF THE PROCESSES -176 page.
M.H. Patapovich, H. N. Trinh, J.I. Buloichik, A.P. Zajogin
Annotation: The formation dynamics of calcium ions was studied under the effect of double laser pulses on the surface and bulk of porous bodies with solutions of Ca salts (CaCl2, Ca(NO3)2, CaCo3, and Ca3(PO4)2 ) in the air at the laser pulse energies 50-60 mJ and interpulse  times 0-12 μs. It was found that the intensities of Ca II line (λ=393.367 nm) for the indicated salts form the following series: phosphate> carbonate>nitrate≥chloride.
Keywordssynthesis of CaO nanoclusters, formation dynamics, double laser pulses, laser-chemical process activation.

ABOUT TWO СONTROLLING PARAMETERS OF INTERACTING POINT CENTERS MODEL AND THEIR MEANING – 181 page.
G.G. Petrik
Annotation: We continue to study the thermal equation of state derived by the author based on the model of interacting point centers. The relationship between the two control parameters of the model: the previously found parameter χ thermodynamic level and a new parameter θ of the molecular level are identified and discussed. Both parameters are determined by the ratio of the intermolecular interaction forces – attraction and repulsion.
Keywords: the models, interacting point centers, the equation of state, the control parameters, one-parameter family of equations of state, intermolecular interaction.

QUANTUM-CHEMICAL STUDY OF ACTIVE SITES OF GOLD NANOCLUSTERS – 188 page.
D.A. Pichugina, D.F. Mukhamedzyanova, S.N. Lanin
Annotation: The results of systematic quantum-chemical study of different hydrocarbons adsorption and activation on gold clusters, and the investigation of the nature of active sites including the influence of cluster’s structure and charge on its chemical properties are presented. It is shown that Auδ+ sites availability increases binding energy in СxHy–Aun and reduces the activation energy in allylic isomerization of allylbenzene catalyzed by Aun.
Keywords: Gold clusters, density functional theory, catalysis, adsorption, hydrocarbons, allylbenzene, isomerization.

PHYSICAL AND CHEMICAL FEATURES OF ELECTROEXPLOSIVE SPRAING OF Mo-C-Cu ELECTRICAL EROSION STABLE COATINGS – 194 page.
D.A. Romanov, E.A. Budovskikh, O.V. Olesyuk, V.E. Gromov
Annotation: By the method of electroexplosive spraying of structurally-free copper, molybdenum and graphite are formed on the surface of the copper contacts. Microcrystalline composite coatings contain matrix of pseudoalloys Mo-Cu with synthesized electrical erosion stability carbides MoC and Mo2C. Topography, structure and phase composition of coatings are studied. It is shown that with the increase of thermomechanical effect on the irradiated surface the carbide content in the coating increases.
Keywordselectrical explosion¸ spraying, composite coating, synthesis phase, carbides, psevdoalloy, phase composition, microstructure.

THE THERMODINAMIC APPROACH TO THE RIDDLE OF THE HEAT CAPACITY OF NANOSTRUCTURED MATERIALS – 200 page.
V.M. Samsonov
Annotation: The heat capacity of nanoclusters was treated using thermodynamics of surfaces, taking into account the surface enthalpy introduced by E. Guggenhein. It is shown that the cluster heat capacity should be greater then the capacity С p (b) of the corresponding bulk phase. However, the Cp p (b) ratio should not exceed 25-30% up to very small clusters containing 100 atoms. So, experimental data on metallic nanoclusters and nanostructures demonstrating that Cp exceeds Сp (b)  in 2-5 times are incorrect.
Keywords: nanostructured materials, heat capacity, thermodynamics of the surface.
 

THE MEASUREMENT OF THE CURRENT-VOLTAGE CHARACTERISTICS OF A TUNNEL JUNCTION OF THE TUNGSTEN-GOLD – 206 page.
N.Yu. Sdobnyakov, A.S. Antonov, T.Yu. Zykov, D.N. Sokolov, E.A. Voronova, O.V. Mikhailova
Annotation: In this paper, we have been measured the current-voltage characteristics (CVC) of a tunnel junction of the tungsten-gold by scanning tunneling microscope (STM) «Umka-02-G». In addition, the factors were described of the tunnel system which may influence to the form of CVC on the example of a model system of tungsten-gold on the physical processes occurring in the probe tip voltage increases and could lead to a change in the length of the probe in particular.
Keywords: scanning tunneling microscope, the current-voltage characteristic, a tunnel junction of the tungsten-gold, thermal expansion of the probe.

STRUCTURE DYNAMICS OF SILVER CLUSTERS – 217 page.
U.G. Snyga, А.V. Beletskaya, D.А. Pichugina, N.Е. Kuz’menko
Annotation: Here we present the results of small silver clusters Agn (n=2-10) structures obtained by density functional theory using of Dirac-Coulomb-Breit Hamiltonian; the data of calculation and study of cluster’s structure parameters such as average interatomic distances, coordinational number, ansphericity, and form are also discussed. Sharp change of parameters is obtained for Ag7 which is the fist smaller volume cluster.
Keywords: silver clusters, density functional theory, structure, isomers, interatomic distances, coordinational number, cluster’s form.

PHYSICAL AND CHEMICAL PROPERTIES OF NANOPOWDERS Al2O3-Al (Cu) RECEIVED PULSED ELECTRONIC EVAPORATION – 222 page.
S.Yu. Sokovnin, V.G. Il`ves
Annotation: By means of evaporation by a pulse electronic beam in gas of low pressure and condensation on a cold crystallizer are received nanopowders alumina and Al2O3–Al(Cu). The specific surface area of powders reaches 338 m2/g. XRD analysis formation in powders an alpha, scale and тета phases alumina, and also amorphous components is established. Phase transformations into powders to temperature 1400 C are studied.
Keywords: alumina, nanopowders, an electron beam, phase transformations.

THE CALCULATION OF THE SIZE DEPENDENCIES OF THE HEAT OF FUSION FOR METAL NANOPARTICLES – 229 page.
D.N. Sokolov, N.Yu.Sdobnyakov, P.V. Komarov
Annotation: On the basis of temperature dependencies of internal energy the size dependences of heat of fusion for gold, cuprum, aluminum and cobalt nanoclusters have been calculated. For the simulation the Monte-Carlo method has been used and interaction between atoms have been described by many-body Gupta potential.
Keywords: heat of fusion, phase transition, skin-layer, metal nanoparticles.

COMPUTER MODELLING OF ORDERING OF STRUCTURAL UNITS AND CLUSTERS IN LITHIUM NIOBATE CRYSTALS -239 page.
O.R. Starodub, V.M. Voskresensky, N.V. Sidorov, M.N. Palatnikov, V.T. Kalinnikov
Annotation: Modeling of the processes occurring at formation energetically equilibrium oxygen-octahedral clusters in the ferroelectric phase of stoichiometrical of lithium niobate crystal (LiNbO3) is executed at qualitative level. It is shown that on energy it appears the most favourable cluster with parity Li/Nb = 0,98 that corresponds to experimental data of crystals grown with К2О.
Keywords: lithium niobate, modeling, clusters, vacancy models.

A STUDY OF MICROEMULSION BY ACOUSTIC SPECTROSCOPY METHOD -246 page.
T.V. Tikhonova, K.I. Kienskaya, G.V. Avramenko
Annotation: It have been studied the ultrasound velocity and attenuation at the range of frequency 0,5-20 MHz in oil/surfactant/water systems. Coexistence of domains have been found of the microemulsions based on nonionic surfactants.
Keywordsmicroemulsions, phase transition, coexistence domain, ultrasound spectroscopy.

NANOMODIFICATION OF β-AGI CRYSTALS – 252  page.
V.V. Tomaev, Y.S. Tver’yanovich, M.D. Bal’makov
Annotation: Nanostructured powder β-AgI was synthesized by using the exchange reaction in aquatic solutions of AgNO3 and KI. The size of the crystals was determined by electron microscopy scanning. It was shown that the powder b-AgI, modified in a ball vibratory mill VIBRATOR GM-945B, was composed of small γ-AgI (30 ÷ 70 nm) and large β -AgI (500 ÷ 1000 nm) nanocrystals. The most of the small crystals were located on the surface of larger ones.
Keywordsnanomodification, silver halides, silver iodide, mechanochemical treatment, the nanoparticles, the ionic conductivity.

SPECTRAL CONTROL OF THE FORMATION PROCESSES OF ALUMINUM NITRIDE CLUSTERS IN THE PLASMA WHEN ALUMINUM IS SUBJECTED TO SERIES OF DOUBLE LASER PULSES – 259 page.
Trinh, A.R. Fadeian, A.P. Zajogin
Annotation: The effect of an additional laser pulse on the formation of the specific component and charge composition of the surface laser plasma was studied by the method of laser spark spectrometry (LSS). The possibility to increase both the fraction of aluminum ions with different charging in the surface laser plasma in the mode of aluminum alloy (AD1) ablation by double laser pulses and AlN cluster under the effect of a series of double laser pulses on the target was demonstrated.
Keywords: AlN radicals, surface laser plasma, laser spark spectrometry, double laser pulses.