Anokhin E.O., Trusov L.A., Vasiliev A.V., Sleptsova A.E., Eliseev A.A., Gorbachev E.A., Kazin P.E.
Surface modification of strontium hexaferrite colloidal nanoparticles by silica coating – page 5
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.
Antonov A.S., Ivanov D.V., Sorokina I.I., Sdobnyakov N.Yu.
Comparative investigation of the current-voltage characteristics of tunelling contact for nanosized gold and silver films – page 13
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.
Apekov A.M., Shebzukhova I.G.
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
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.
Aref`eva L.P., Shebzukhova I.G.
The size and concentrational dependense of the surface energy of thin films of the transitional metal alloys – page 26
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.
Ahkubekov A.A., Korotkov P.K., Laypanov M.Z., Manukyants A.R., Ponegev M.Kh., Sozaev V.A.
The rate of contact melting and phase transformation in the pair copper / aluminum of AMG-2 brand system – page 32
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.
Baburkin P.O., Komarov P.V.
Mesoscopic simulation of enzimlike nanostructurs on base of N-vinylcaprolactam and N-vinylimadazole – page 36
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.
Bagov A.M.
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
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.
Barakhtin B.K., Sedletsky R.V.
Nonlinear crystallization kinetics of long chain polymer matrix into high full composites – page 46
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.
Bibanaeva S.A., Skachkov V.M., Latosh B.N., Sabirzyanov N.A.
The synthesis of composites based on powders of aluminium with small additions of barium – page 59
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.
Bogdanova E.A., Skachkov V.M., Shirokova A.G., Grigorov I.G., Sabirzyanov N.A.
The effect of thermal annealing on the strength of bioactive coating on the porous titanium – page 64
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.
Bolotov A.N., Novikov V.V., Novikova O.O.
Development of modified technology of producing nanostructural magnetic oil – page 69
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.
Brylkin Yu.V., Zalogin G.N., Krasilnikov A.V., Rudin N.F.
Synthesis of carbon nanostructures from methane by plasma- chemical method – page 76
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.
Vasiliev A.V., Fedorovskiy A.G., Sycheva A.A., Trusov L.A., Anokhin E.O., Kazin P.E.
Study of phase formation in the system SrO-Fe2O3-MoO3-B2O3 – page 82
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.
Gorbachev E.A., Trusov L.A., Eliseev A.A., Sleptsova A.E., Anokhin E.A., Vasiliev A.V., Kazin P.E.
Synthesis of exchange-coupled composite based on SrFe10,7Al1,3O19 / Co core/shell particles – page 88
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.
Gribanov E.N., Markov O.I., Khripunov Yu.V.
Quantum-chemical modeling of clusters Bi(N-n)Sbn – page 95
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.
Grigorkina G.S., Khubezhov S.A., Tvauri I.V., Ashkhotov O.G., Ashkhotova I.B., Kozirev E.N., Zaashvili V.B., Wilde M., Sekiba D., Ogura S., Fukutani K., Magkoev T.T.
Investigation of interphase boundaries systems Ag / TiO2, Au / TiO2, Ag / MoO3, Au / MoO3 – page 100
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.
Grigorov I.G., Shirokova A.G., Bogdanova E.A., Skachkov V.M., Skachkova O.V., Sabirzyanov N.A.
The study of hydroxyapatite containing biocomposites based on titanium with varying porosity by scanning electron microscopy – page 105
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.
Dikusar E.A., Pushkarchuk A.L., Bezjazychnaja T.V., Soldatov A.G., Kuten S.A.
Quantum chemical modeling of the molecular and electronic structures of the estron-containing bisfullerenol radionuclide cancer fighting agents – page 110
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.
Emelyanenko K.A.
Effects of water solubility in alkanes and interface charging on stability of short chain alkane nanofilms on water – page 119
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.
Zamulin I.S., Redel L.V.
Analysis of the possible use of nanoclusters of Pt , Pd and their alloys for recording information – page 128
Abstract: On the basis of a computer simulation the possibility is evaluated of using individual nanoclusters of Pt and Pd as well as Pd – Pt 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 Pd – Pt with 10% content of platinum atoms and diameter D≥3,5 nm.
Keywords: computer simulation, molecular dynamics, nanoclusters, platinum, palladium, phase transitions, memory cells.
Ivanov V.I., Ivanova G.D.
Light induced thermodiffusion of nanoparticles – page 135
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.
Izmailov V.V., Novoselova M.V.
The influence of surfaces nanotopography on characteristics of solids discrete contact – page 139
Abstract: The influence of nanoscale deviations of real surfaces of engineering devices from theperfect 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.
Il`ves V.G., Sokovnin S.Yu., Murzakaev A.M.
Properties of gadolinium doped amorphous silicon dioxide nanopowders, prepared by pulsed electron beam evaporation – page 145
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.
Karmokov A.M., Molokanov O.A., Shomakhov Z.V.
Electromasstransport in glasses for electronics – page 151
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.
Klopotov A.A., Ivanov Yu.F., Vlasov V.A., Potekaev A.I.
Thermodynamic analysis of phase formation in stainless steel treated with a high-intensity pulsed electron beam – page 155
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.
Knatko M.V., Lapushkin M.N.
Diffusion processes in nanoscale NaAuy film – page 164
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.
Kolosov A.Yu., Sokolov D.N., Sdobnyakov N.Yu., Komarov P.V., Myasnichenko V.S., Bogdanov S.S., Bogatov A.A.
About assessment of dihedral angle between metal nanoparticles in the coalescence process – page 172
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.
Kotomkin A.V., Rusakova N.P., Turovtsev V.V., Orlov Yu.D.
The internal rotation in 1,n – difluorinealkanes – page 180
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.
Kochengin A.E., Belenkov E.A.
Electronic structure of new graphene polymorphous types – page 186
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 L 4-6-8a, 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 L 4-6-12), but lower than the energy of atomization of hexagonal graphene.
Keywords: graphene, polymorphism, electronic structure, computer modeling.
Krut’ko V.K., Kulak A.I., Musskaya O.N., Ulasevich S.A.
Surface modification of apatite-polymer coatings by ultraviolet radiation – page 195
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.
Kuzin A.A.
Light induced bubble clusters – page 202
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.
Kuznetsov Yu.A., Lapushkin M.N.
Effect of penetration depth of exciting electrons on the electron-stimulated desorption yield – page 207
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.
Larin V.S., Korovushkin V.V., Morchenko A.T., Panina L.V., Kostishyn V.G., Lopatina Yu.A., Salem M.M., Trukhanov A.V.
X-ray and Mössbauer study of amorphous and crystalline ferromagnetic microwires – page 214
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.
Logvinovich A.S., Sviridova T.V., Sviridov D.V., Kaparikha A.V.
Self-healing coatings made of metal-matrix nanocomposites comprising lamellar oxides employed as the carriers of functional compounds – page 225
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.
Magomedov M.N.
The dependence of the vacancy concentration from the size and shape of the nanocrystal at different pressures – page 231
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.
Masloboeva S.M., Palatnikov M.N., Arutjunjan L.G., Ivanenko D.V.
Obtaining and research of microcrystal powders of lithium niobate and tantalate – page 239
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.
Murtazaev A.K., Ramazanov M.K., Badiev M.K.
Phase transitions in the frustrated Ising model on triangular lattice – page 247
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.
Myasnichenko V.S., Kolosov A.Yu., Sdobnyakov N.Yu.
Cellular automata model of the two-dimensional single component and binary nanocrystals growth – page 253
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.
Myasnichenko V.S., Kulagin V.V., Sokolov D.N., Sdobnyakov N.Yu., Kirilov L.
Effect of external pressure on the phase transition temperature in bimetallic argentic nanoparticles – page 259
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-A 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.
Nagaplezheva R.R., Uyanaeva M.M.
Installation for research on influence of plasma treatment photoelectron emission – page 266
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.
Novozhilov N.V., Sdobnyakov N.Yu., Rodin I.D.
On the size dependence of the absorption coefficient of nanoscale film of ethanol on silicon substrate – page 269
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.
Palatnikov M.N., Sandler V.A., Sidorov N.V., Makarova O.V.
Temperature resistance of electromechanic characteristics of Y+42°-cut LiTaO3 single crystals – page 273
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.
Pan’kin N.A.
Study of atom bombardment isomers clusters Ti7. Molecular dynamics simulation – page 280
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 ( C3υ). 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.
Petrik G.G.
Analysis of molecular models underlying low-parametrical equations of the state: from empirical modifications to physically reasonable models – page 292
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.
Polukhin V.A., Kurbanova E.D., Belyakova R.M.
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
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.
Repchenkov V.I., Nalichayev A.A., Deshkevich K.P.
Forces in electron-nuclear systems – page 312
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.
Rusinov P.O., Blednova Zh.M.
Reliability assessment of composition TiNiHf – page 315
Abstract: Based on comprehensive metalophysical researches, new information was obtained aboutthe 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.
Sadovskaya L.Yu., Sviridova T.V., Sviridov D.V.
Photoinduced processes in thin film-photocatalysts based on oxide nanoheterostructures – page 323
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.
Samsonov V.M., Vasilyev S.A., Bembel A.G., Kartoshkin A.Yu.
On the problem of the phase diagramm for binary metal nanoparticles – page 330
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.
Sdobnyakov N.Yu., Samsonov V.M., Bazulev A.N., Novozhilova D.A.
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
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.
Sdobnyakov N.E., Veselov A.D., Ershov P.M., Sokolov D.N., Samsonov V.M., Vasilyev S.A., Myasnichenko V.S.
On size dependences of melting and crystallization entropies of copper nanoparticles – page 345
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.
Simakov S.R., Ivanov V.I.
Relief dynamic holograms in thin layered medium with thermoinduced phase transition – page 354
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.
Smirnov A.V., Sinev I.V., Osyko I.D.
Surface modification of polystyrene thin films by radio frequency nitrogen plasma treatment – page 359
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 1,54-18,9 nm.
Keywords: plasma treatment, surface modification, polystyrene.
Sokolov D.N., Myasnechenko V.S., Andriychuk A.P., Kulagin V.V., Sdobnyakov N.Yu.
The features of behavior of thermodynamic and structural characteristics of cobalt nanoparticles with «magic» number of atoms – page 363
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.
Teplyakova N.A., Sidorov N.V., Yanichev A.A., Palatnikov M.N., Alyoshina L.A., Kadetova A.V.
Research of structure and optical properties of LiNbO3:Zn crystals – page 372
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.
Chepkasov I.V.
Assessment of the stability of the palladium-platinum nanoparticles of various types of structure – page 379
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.
Chepkasov I.V.
The analysis of the thermal stability of Cu@Si nanoparticles – page 387
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.
Chepkasov I.V.
Study of CuAu nanoparticles condensation from the gas phase. MD-simulation – page 393
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.
Shakirzyanov R.I., Astakhov V.A., Morchenko A.T., Bessonova N.P., Shmakova N.A., Afonkin A.E., Korlukov A.A., Buzin M.I.
Structural properties of ferroelectric polymers (PVDF and PTFE-42, SKF-32) and composites based on it – page 398
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.
Shepelevich V.G.
Structure of rapidly solidified bismuth-tin alloys additional doping with indium – page 404
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.
Shimanovich D.L.
Electrochemical methods for nanostructured thick-layer Al2O3 -coating formation for effective heat-conducting bases – page 410
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.