Abstracts archive – Issue 11 (2019)

Alemasova N.V., Savoskin M.V., Vdovichenko A.N., Prokofieva L.A.
Limitations in titrimetric determination of acid groups in graphite oxide – page 6
Abstract: Тhe Boehm titrimetric method gives distorted results when determining total quantity of acid groups total quantity in Hammers’ graphite oxide. It was established that the additional acidity of the aqueous phase of the Hammers graphite oxide suspension is due to intercalated sulfuric acid. The adding alkali during the acid-base titration is accompanied by the reaction of Hammers’ graphite oxide decarboxylation. Such an effect was not observed for an aqueous suspension of Brodie’s graphite oxide.
Keywords: graphite oxide, acid functional groups, cyclic acid-base titration.

Aref`eva L.P., Shebzukhova I.G., Sakhno T.A., Shakova L.S.
Application of atomic-force microscopy for investigation of anisotropy of interphacial energy on the boundary of the metal-oriented substrate – page 16
Abstract: A method we developed for determining anisotropy of the interfacial energy in a solid system was used to investigate nickel nanocrystals on an oriented silicon substrate. Nickel particles were obtained by the vapor-liquid-solid mechanism, i.e. by vacuum deposition on a substrate. The surface of the sample was visualized by the atomic force microscopy in the tapping mode. A analysis of AFM images made it possible to establish the geometric characteristics of nickel crystals and to investigate the relief. Based on the data obtained, the model shape and position of the Wulf point of the equilibrium crystals on the substrate are determined. The dependences of the characteristic value A/V^2/3 on the effective contact angle in two directions are constructed and it is shown that in this system the interfacial energy of the crystal-substrate interface is highly anisotropic.
Keywords: interface energy, wetting, nanocrystals, nickel, atomic-force microscopic.

Ashkhotov O.G., Ashkhotova I.B., Aleroev M.A., Krimshokalova D.A.
Electron-stimulated oxygen adsorption on the surface of metals and semiconductors – page 26
Abstract: The phenomenon of electron-stimulated adsorption occurs in almost all devices where electron emission is used. Electron-stimulated adsorption can have a significant effect on the state of the adsorbed layer. This review presents typical results obtained in the study of electronically stimulated processes of the oxygen adsorption from a gas phase and the main patterns of changes in the surface structure caused by electron-stimulated adsorption.
Keywords: spectroscopy, surface, electrons, radiation, dissociation, migration, adsorption, desorption, experiments, exposure.

Bagrysheva I.S., Bolshakova N.N., Ivanova A.I., Rumyancev V.S., Semenova E.M.
Deuterated triglicine sulfate crystals switching processes – page 40
Abstract: The results of the study of dynamic processes of repolarization of crystals of pure and deuterated triglycine sulfate are presented. It is established that deuteration and an increase in the concentration of the alanine impurity in deuterated crystals lead to a decrease in the relative and effective dielectric constants, switchable polarization and an increase in the coercive field and the displacement field. Deuteration and substitution of a part of glycine molecules into alanine allows obtaining a stable unipolar state in crystals.
Keywords: processes of switching, domain structure, triglicinsulfate, deuteration, scanning electron microscopy.

Bazzal K., Voropay Е.S., Zajogin А.P., Patapovich М.P.
Spectral studies of the defocusing effect on the AlO and AlN formation processes when D16T aluminum alloy is subjected to double laser pulses in air – page 48
Abstract: The effect exerted by defocusing of double laser pulses on purposeful formation of the component and charge composition of the laser plasma has been studied using the laser spark spectrometry (LSS-1 laser). It has been shown that there is a possibility to increase the portion of differently charged aluminum ions as well as of AlO and AlN nanoclusters in the laser plasma when a target of D16Т aluminum alloy is subjected to a series of defocused double pulses.
Keywords: AlO, AlN, pulsed laser deposition, laser plasma, laser spark spectrometry, multiply charged ions, double laser pulses.

Bazzal K., Voropay Е.S., Zajogin А.P., Patapovich М.P.
Investigation of the channel-form effect on the formation processes of AlN and AlO nanoclusters in plasma when aluminum target is subjected to series of double laser pulses in air – page 57
Abstract: The microchannel-form effect on the formation of AlO and AlN in the laser plasma has been studied when the surface of a target of D16Т aluminum alloy was subjected to series of sequential focused double laser pulses in air. The possibility to increase the quantities of AlO and AlN as well as of nitrogen, oxygen, and aluminum ions with different charges in the laser plasma has been demonstrated depending on the microchannel form.
Keywords: AlO, AlN, pulsed laser deposition, laser plasma, laser spark spectrometry, multiply charged ions, double laser pulses, form of microchannel.

Bakhvalova E.S., Nikoshvili L.Zh., Matveeva V.G., Kiwi-Minsker L.
Palladium nanoparticles stabilized in aromatic polymeric environment – highly active ligandless catalysts of Suzuki cross-coupling – page 65
Abstract: This work is devoted to the study of influence of the type of polymeric matrix of hyper-crosslinked polystyrene on the formation of catalytically active palladium nanoparticles using palladium acetate as a precursor. It was shown that the use of nonfunctionalized hyper-crosslinked polystyrene as a support allows formation of palladium nanoparticles of larger diameter (4-10 nm) than in the case of the polymer functionalized with amino groups. However, this catalyst exhibits higher activity in the Suzuki cross-coupling reaction between 4-bromoanisole and phenylboronic acid. For the most active catalyst, the influence of the reaction temperature, solvent composition and the nature of base were studied. Moreover, the study of the influence of the aryl halide nature revealed that the use of competing substrates allows achieving 100% conversion for 4 minutes of 4-iodoanisole in the presence of 4-bromoanisole.
Keywords: Suzuki cross-coupling, palladium, catalyst, nanoparticles, hyper-crosslinked polystyrene.

Belyakova R.M., Piven V.A., Sidorov N.I., Polukhin V.A.
Influence of Ti – H hydrides on interatomic interactions and on characteristics of Ti alloying membrane alloys based on V – Ni – page 74
Abstract: Under the conditions of the fast crystallization of melts, the effect of hydrogen on mechanisms of structural transformations in V₈₅Ni₁₅ and V_85-xTi_xNi₁₅ alloys was experimentally studied. Structuring of phase compositions, diffusion, and hydrogen permeability were simulated. The regularities of improving the structural characteristics of alloys as a result of alloying with titanium, as well as the effect of hydrogen dynamics on the stability of the formed phases are revealed.
Keywords: hydrogen, BCC phase, diffusion, permeability, simulation, multiparticle potentials, titanium alloys, microstructure, hybridization of polymorphic-phase transitions, membrane technologies, hydrides.

Bernatskii D.P., Pavlov V.G.
Field electron emission from nanostrutured surface of carbonized iridium – page 86
Abstract: The characteristics of the field electron emission of the iridium tip with different carbon formations on its surface are investigated. It was found that in some cases, compared to metal emitters the carbon-coated emitter exhibits significantly greater emission stability and resistance to residual gases when operating in insufficiently good vacuum conditions.
Keywords: electron emission, carbon, iridium, vacuum, surface.

Bernatskii D.P., Pavlov V.G.
Cesium field desorption for visualization of graphite nanostructures on the surface of a rhenium field emitter – page 91
Abstract: Desorption of cesium atoms in an electric field from the carbonized rhenium field emitter was investigated by the field desorption microscopy. The effect of the concentration of cesium atoms on the voltage and on the distribution of emission centers on the surface of the emitter is studied. It is shown that rhenium carburization can lead to a surface modification with the formation of carbon nanostructures.
Keywords: field desorption microscopy, electric field, field emitter, alkali metals, graphite nanostructures.

Bobreva L.A., Masloboeva S.M., Sidorov N.V., Palatnikov M.N.
The effect of Mg and Fe dopants on concentration of complex defects associated with OH – groups in the lithium niobate crystal – page 97
Abstract: In the spectra of infrared absorption in the region of stretching vibrations of OH^– -groups the effect is investigated of dopants Mg, Mg + Fe on the concentration of complex defects of Mg_Nb – OH – Mg_Li, Fe_Nb – OH – Mg_Li in lithium niobate crystals grown from the charge, synthesized with the use of homogeneously doped Nb₂O₅ precursor.
Keywords: homogeneous doping, charge, single crystal, lithium niobate, stretching vibrations of groups, complex defects.

Burtsev A.A., Butkovskii O.Ya.
Analysis of crystal structures on stainless steel surface – page 107
Abstract: In this paper experiments of crystallization from melt with an analysis of the morphology of formed crystal structures are presented, examples of the forming of complex dendritic formations are shown. The chemical composition of various types of crystals was established by energy dispersive X-ray spectroscopy. The relationships between the features of the forming morphology and its composition are analyzed.
Keywords: laser heating, metal surface modification, crystallization, fractal, dendritic crystals, energy dispersive spectroscopy.

Dyshekova A.Kh., Karmokov A.M., Bzhikhatlov K.Ch.
Interfacial characteristics of potassium and sodium chlorides doped with silver, tin and copper on the boundary with liquid lead – page 115
Abstract: Influence of small additives of copper, silver and tin on the wetting angle and the work of adhesion of monocrystals of potassium and sodium chlorides is considered. The nature of interfacial interactions at the lead – single sodium/potassium chloride boundaries has been revealed with respect of the above additives.
Keywords: angle of wetting, work of adhesion, sodium chloride, potassium chloride, monocrystal.

Eguzhokova R.M., Ivanova A.I., Semenova E.M.
Domain structure and magnetic transport properties on thin ferrite-garnet films – page 123
Abstract: This article provides an overview of the results of an experiment on the application of the magnetotransport properties of ferrite – garnet films in microfluidic devices, as well as on the determination of the composition of immunomagnetic microspheres. The article provides practical recommendations on the use of ferrite garnet films for the controlled transport of magnetic microspheres.
Keywords: ferrite-garnet films, magnetic microspheres, magnetic manipulation.

Efremov V.V., Palatnikov M.N., Shcherbina O.B.
Comparative study of electrophysical characteristics of ceramic and monocrystalline lithium tantalate – page 129
Abstract: The microstructure of ceramic lithium tantalite LiTaO₃, obtained on the basis of finely dispersed microcrystalline monophasic powder, was studied by the probe microscopy. A comparative study of the dispersion of the complex impedance Z^*(ω) of LiTaO₃ and a crystalline sample of a non-polar X-orientation slice, grown by the Czochralski method, was carried out. Using measured Z and φ values, the real and imaginary components of the complex dielectric constant and impedance (admittance) are determined.
Keywords: lithium tantalate, ceramics, microstructure, impedance spectroscopy, dielectric permittivity, electrical conductivity.

Ivanov D.V., Antonov A.S., Sdobnyakov N.Yu., Semenova E.M., Scopich V.L., Romanovskaia E.V., Afanasiev M.S.
Fractal properties of nanosized films of nickel and chromium – page 138
Abstract: The morphology of the relief of nanoscale films of nickel and chromium on the surface of the mica was studied using a scanning probe microscope. The characteristic features of nanorelief of the surface of the studied films, including fractal properties, are described. The obtained fractal dimension data are compared with the available experimental data, as well as data obtained using scanning tunneling microscopy. Recommendations on the development of the technology of «growing» structures with a given surface morphology are proposed.
Keywords: scanning probe microscopy, nanorelief, fractal dimension, nanoscale films of nickel and chromium.

Izmailov V.V., Novoselova M.V.
On the ratio of diffusive and ballistic components of electrical contact resistance on micro- and nanoscale levels – page 153
Abstract: The ratio of diffusive and ballistic components has been analyzed of a contact electrical resistance as well as a role of the micro- and nanoroughness of contact surfaces in a generation of an electrical contact resistance and its components. In a contact of nanoroughness asperities a ballistic component of a resistance dominates, whereas in a contact of microroughness asperities a diffusive one.
Keywords: electrical contact, contact resistance, diffusive resistance, ballistic resistance, microroughness, nanoroughness.

Kiseleva M.A., Sokovnin S.Yu., Balezin M.E.
Production and characterization of Al₂O₃ + Ag composite nanopowders – page 161
Abstract: Nanoparticles of aluminum oxide partially coated with silver were obtained by the radiation-chemical method in size 50 and 80 nm, and the coating area was 2-3% and 16-40%, respectively. The stability of the suspension before irradiation using different stabilizers was studied. The reason for the color change of suspensions after sonication is determined. The antibacterial activity of the composite nanopowder was investigated on wine yeast.
Keywords: nanopowders, nanoparticles, nanosecond electron beam, silver-coated alumina, antibacterial properties.

Knatko M.V., Lapushkin M.N.
Study of methenamine adsorption on intermetallic NaAu₂ by the surface ionization – page 169
Abstract: Based on a study of the surface ionization of methamine on the surface of the NaAu₂ alloy, the orientation of adsorbed molecules is analyzed. It was determined that ionization and exchange reactions between adsorbed molecules occur at specific centers of the alloy, to which a record high work function of the surface yield of more than 7,6 eV can be attributed.
Keywords: adsorption, surface, work function, methenamine, surface ionization, mass spectrometry.

Kokoeva A.A., Begieva M.B., Malkanduev Yu.A., Dokshukina M.A.
Conductometric method for determining the conductivity of polyelectrolyte solutions – page 177
Abstract: A new polymer-based aminoethanoic acid was obtained by the reaction of the radical polymerization. The molar and specific conductivity values of aqueous solutions of the initial amino acid, monomer and polymer were measured by the conductometric method. The results demonstrate the most pronounced electro-conductive properties of the polymer – poly – N, N – diallylamine acid.
Keywords: polyelectrolytes, physical and chemical properties, electrical conductivity, molar conductivity, specific conductivity, electrical conductivity.

Kuznetsov Yu.A., Lapushkin M.N.
Electron-stimulated desorption of lithium atoms from oxygen monolayer covered tungsten – page 184
Abstract: The electron-stimulated desorption of neutral lithium atoms from the oxygen monolayer covered the tungsten surface have been studied. The model of the atom electron-stimulated desorption processes on the tungsten surface with the adsorbed oxygen monolayer have been suggested. Both common and different features of the electron-stimulated desorption processes have been foundfor high-energy and low-energy peaks in the kinetic energy distributions of the desorbed atoms.
Keywords: electron-stimulated desorption, adsorption, alkali metals.

Malashenko V.V., Malashenko T.I.
Features of dislocation dynamics in near-surface nanoregion of crystal – page 192
Abstract: The glide of dislocations in a near-surface nanolayer of  crystal containing point defects is theoretically analyzed. An analytical expression for the dynamic drag force of dislocations by point defects is obtained. It has been shown that the crystal surface has a significant effect on the dislocation dynamics in the near-surface region.
Keywords: dislocations, point defects, surface, nanomaterials.

Malyshkina O.V., Tesnikova E.S., Malysheva N.E., Ivanova A.I.
Structural features of sodium – lithium niobat ceramics – page 198
Abstract: The authors synthesized samples and studied the structure of piezoelectric ceramics based on sodium and lithium niobates Li_1-xNa_xNbO₃. A significant dependence of the grain formation during sintering of the samples on the ratio Li / Na is revealed. Based on the analysis of the structure and measurement of the temperature dependence of the dielectric constant, the optimal compositions for practical application are proposed Li_0,1Na_0,9NbO₃ and Li_0,4Na_0,6NbO₃.
Keywords: piezoelectric ceramics, lead-free materials, grain structure.

Milekhin Yu.M., Koptelov A.A., Koptelov I.A., Rogozina A.A.
Thermal decomposition kinetics of an energy composite material on the basis of inert binding – page 206
Abstract: The results are presented of the study of thermal decomposition kinetics of the K – 2 model mixed energetic material, the main components of which are ammonium perchlorate, octogen, aluminum and an inert binder, polybutadiene, plasticized with transformer oil. The activation energy E was determined by isoconversion methods and the Kissinger method according to thermal analysis at heating rates b < 5 K / min. In an open system, the evaporation of plasticizer (E_min = 65  kJ / mol), thermal decomposition of octogen (E_max = 192 kJ/mol) and ammonium perchlorate are successively realized in the samples. When limiting the free exit of gaseous reaction products, the peaks of the maximum heat release rate in octogen shift to the region of higher temperatures, the thermal decomposition of K – 2 is completed earlier than in the open system. An explanation of the mechanism of this phenomenon is proposed.
Keywords: energetic material, octogen, ammonium perchlorate, thermal decomposition, activation energy.

Ostroushko A.A., Russkikh O.V., Gagarin I.D., Filonova E.A.
Study of the charge generation in the synthesis of nanosized complex oxides in the combustion reactions of organo-inorganic precursors – page 215
Abstract: The presence of the generation of electric charges in precursors during the synthesis of nanosized complex oxides in the combustion reactions of compositions including metal nitrates, as well as glycine and glycerin as organic components, is shown. To measure the resulting potential difference, an automated system based on the IPEP-1 electrostatic field parameter meter and a signal amplification system were used.
Keywords: Nanosized complex-oxide materials, combustion synthesis, organic-inorganic compositions, charge generation, measurements.

Sidorov N.V., Teplyakova N.A., Titov R.A., Palatnikov M.N.
Influence of boron on structural features and photorefractive properties of LiNbO₃ single crystals – page 223
Abstract: An analysis of studies of single crystals of LiNbO_3 stoich, LiNbO_3 cong and LiNbO₃ : B (0,83 mol.% B₂O₃ in the charge) was performed. It was established that boron present in the melt is unable to incorporate into the crystal structure of LiNbO₃. Boron brings closer in magnitude to each other the effective distribution coefficients of lithium and niobium linking excess niobium in the process of complexation in a melt of a congruent composition. In this case, LiNbO₃ : B crystals approach to the stoichiometric crystals in ordering the structural units.
Keywords: single crystal, lithium niobate, photoelectric field, boron, doping, melt structuring.

Starodub O.R., Voskresenskij V.M., Sidorov N.V., Palatnikov M.N.
Analysis of cluster formation in modeled lithium niobate crystals – page 232
Abstract: In the framework of the semiclassical atomistic model, clusterization processes in a lithium niobate crystal LiNbO₃  were investigated. Computer modeling of the energy-equilibrium cluster of a lithium niobate crystal LiNbO₃  based on oxygen octahedrons has shown that random throwing of ions to the center of the octahedron is more energy-efficient, and a cluster with a congruent Li / Nb  ratio is optimal in energy for any casting method and model cluster size .
Keywords: lithium niobate, modeling, clusters, vacancy models, sublattice defects, single crystals, ferroelectrics.

Teplyakova N.A., Sidorov N.V., Palatnikov M N.
Photorefractive properties and optical uniformity of crystals LiNbO₃ (6,0 wt. % K₂O) – page 241
Abstract: Comparative researches were carried out for lithium niobate crystals with congruent and stoichiometric composition with a different genesis. It was shown that it is possible to obtain LiNbO₃ crystals close in composition to stoichiometric, grown from a congruent melt with the addition of a 6.0 wt.% K₂O flux. Such crystals are far superior to optical uniformity and photoelectric parameters of congruent crystals.
Keywords: single crystal, lithium niobate, photoelectric field, band gap, IR absorption spectrum, stretching vibrations of OH-groups.

Khil’ko S.L., Rogatko M.I., Makarova R.A., Semenova R.G.
Using the dilatational rheology method for analysis of nanosized systems – page 249
Abstract. The regularities of the formation of interfacial layers of nanosized natural polyelectrolytes based on humic substances and their complexes with cationic surfactants are investigated. It is shown that application of the dilatation rheology method makes it possible to explain the behavior of such systems at the liquid-gas interface.
Keywords: dilatation rheology, interphase layers, nanosized systems, natural polyelectrolytes, salts of humic substances, surfactant-polyelectrolyte complexes.

Khubolov B.M., Podlinov V.P.
Features of the electrochromium effect in complex transition metal oxides – page 259
Abstract: Some features of electrochromically sensitive single crystals and thin films of the complex transition metal oxides are reviewed. Based on the results of studies that allow us to draw conclusions about specific models of the physical process underlying the electrochromic effect, the most urgent questions of further studies of complex transition metal oxides are formulated to obtain applied results that can form the basis of highly efficient technology of electrochromic devices. The efficiency of complex transition metal oxides as a more promising electrochromic material is substantiated.
Keywords: electrochromic effect, complex transition metal oxides, oxide tungsten bronze, monocrystals, thin films.

Shishulin A.V., Shishulina A.V.
Several peculiarities of high-temperature phase equilibria in nanoparticles of the Si_x – Ge_1-x system – page 268
Abstract: Phase equilibria in Si_x – Ge_1-x nanoparticles of various compositions within the two-phase region between the liquidus and solidus temperatures have been simulated by  using methods of the equilibrium chemical thermodynamics. It has been shown that the equilibrium compositions of liquid and solid phases dramatically depend on the initial composition of a nanoparticle and the character of such dependences is different at different temperatures. Reducing the size of a nanoparticle is accompanied by narrowing the temperature interval of the two-phase region.
Keywords: nanostructuring, nanoparticles, germanium, silicon, melting, liquidus, solidus.

Shomakhov Z.V., Molokanov O.A., Karmokov A.M.
On special features of studying electric conductivity in special electron optics glasses – page 277
Abstract: The laws of the change in the electrophysical properties of the C87 – 2, C78 – 4, C78 – 5 glasses, used in electronic optics are studied. A comparative analysis of the effect of the transmitted electric current on the formation of a new phase and the time to achieve the phase equilibrium in glasses is carried out. It was established that annealing leads to an equilibrium state, stabilizes the structure, and also reduces the electrical conductivity of the glass.
Keywords: microchannel plate, lead-silicate glass, borate-barium glass, electrical conductivity, isothermal annealing, electromass transfer, phase equilibrium.

Belyaeva I.N., Kirichenko I.K., Ptashnyi O.D., Chekanova N.N., Chekanov N.A., Yarkho T.A.
The computer – assisted solution of the one – dimensional Schrödinger equation taking into account tunneling effects – page 283
Abstract: The general scheme of the method of integration of the second order ordinary differential equations with regular singular points is outlined. The algorithm of finding a general solution of the second order differential equation with regular singular points is given. The Schr dinger equation for anharmonic oscillator with the potential of the fourth, sixth and eighth degrees of non-linearity is considered, the values of its energy spectrum are found.
Keywords: ordinary differential equation, anharmonic oscillator, wave function, generalized power series.

Belyaeva I.N., Chekanov N.A., Kirichenko I.K., Chekanova N.N.
Accounting of tunneling effects when calculating the energy spectrum of the Schrödinger equation – page 291
Abstract: The general scheme of the method for integrating second-order differential equations in the form of power series is presented. The obtained results for the Schrödinger equation with potentials with two and three minima for quantum anharmonic oscillators are presented. The necessary accuracy of calculations is controlled by the number of terms in the power series and the number of digits in the mantissa of decimal numbers. The structure of the energy levels and wave functions are shown.
Keywords: ordinary differential equation, energy spectrum, wave function, generalized power series.

Blinov A.V., Gvozdenko A.A., Yasnaya M.A., Golik A.B., Blinova А.A., Shevchenko I.M., Kramarenko V.N.
Effect of synthesis parameters on dimensional characteristics of Fe₃O₄ nanoparticles: neural-network research – page 298
Abstract: Our research shows the possibility of using the neural-network processing of experimental data to study the influence of various factors on the process of synthesis of nanoscale Iron (II, III) oxide. A mathematical model was obtained which adequately describes the effect of temperature, stabilizer mass and precipitant quantity on the size of nanoparticles of Iron (II, III) oxide. The optimal synthesis conditions were determined, which provide a high content of Fe₃O₄ particles with an average hydrodynamic radius less than 100 nm.
Keywords: double iron oxide nanoparticles, neural network modeling, multilayer perceptron, response surface, dynamic light scattering method.

Kiselev V.M., Golovanova O.A.
Application of the fractal theory for studying brushit crystallization process in the presence of additives – page 307
Abstract: The paper considers the possibility of using the fractal analysis method for brushite-based samples, including modified with organic and inorganic additives. The dependencies between fractal parameters and properties of samples are determined. The results of the study can be used to develop the express methods used for analysis of synthetic biomaterials based on calcium phosphates.
Keywords: brushite, fractal analysis, precipitation, calcium phosphates, fractal dimension, biomaterials, drying drops.

Kramynin S.P.
Change in the baric dependences of the thermophysical properties of a niobium nanocrystal with a change in size – page 315
Abstract: From a general point of view, the equation of state and the change in thermophysical properties of Nb nanocrystals along 300 K and 3000 K isotherms with increasing pressure were calculated on the basis of the Mie – Lennard – Jones pair interatomic interaction potential and the nanocrystal RP model. The change in the baric dependences of thermophysical properties and the melting temperature of niobium nanocrystal with decreasing its size was studied.
Keywords: niobium, nanocrystal, size dependences, equation of state, melting point.

Musskaya O.N., Krut’ko V.K., Kulak A.I., Nasan A.A., Hvesenya S.S., Dobysh V.A., Tarasevich V.A., Budeiko N.L., Sycheva O.A.
Three-dimensional models based on polylactide and hydroxyapatite – page 326
Abstract: Three-dimensional models based on polylactide containing 1 and 5% hydroxyapatite were obtained by the method of fused deposition. In vitro testing showed that a surface modification of the polymer models with 4% hydroxyapatite gel or an aqueous suspension containing 4% polyvinyl alcohol and 4% hydroxyapatite can improve bioactive properties of such materials.
Keywords: 3D printing, fused deposition, polylactide, hydroxyapatite, polyvinyl alcohol.

Nagorny Y.E.
Numerical simulation of mechanical behavior of silicene in a general harmonic filed model – page 336
Abstract: The stiffness coefficients of two linear and two angular elements for the generic harmonic field model are derived from the stiffness coefficients of two linear elements for the central force field model. Recalculation is carried out through frequencies of three-node element assembled from these elements. Numerical modeling of uniform stretching of silicene samples was performed. Longitudinal and two transverse elastic modules are found to be dependent on linear dimensions.
Keywords: general harmonic field, silicene, stiffness coefficients, natural frequency, Young’s modulus, Poisson’s ratio.

Polukhin V.A., Belyakova R.M.
The specifics of the formation of Friauf cluster structures, 2D – packaging of the kagome and Laves phases during the hydrogenation of titanium alloys. Kinetics of hydrogen – page 345
Abstract: Using the results of computer modeling and experiment, an analysis has been made of the effect of hydrogen and its kinetics on the nature of the formation of cluster-block configurations in alloys – Laves phases based on Friauf polyhedra and kagome structures that determine the characteristics of new materials with the aim of advancing the ecological and energy-saving technologies for producing ultrapure hydrogen and then its accumulation in the concerning alloys.
Keywords: titanium alloys, hydrogenation, crystallization, modeling, Friauf polyhedra, diffusion, close-packed configurations, kagome nanostructures, cluster symmetry, Laves phases.

Rybina S.S., Tretyakov S.A.
Modeling process of distribution of light flow in the environment with diffusing centers – page 356
Abstract: A mathematical model is developed for calculating parameters of light fluxes propagating through a light-scattering and absorbing medium. Single crystals of paratellurite and germanium with known optical parameters and densities of various absorbing and scattering inhomogeneities were chosen as mediums.
Keywords: scattering, reflection, refraction, Bouguer-Lambert law, scattering indicatrix.

Talyzin I.V., Kartoshkin A.Yu., Vasilyev S.A., Samsonov M.V., Samsonov V.M.
On phase diagram of Au-Si nanoalloy: molecular dynamics and thermodynamic simulation – page 364
Abstract: Phase diagrams for Au-Si nanoparticles were constructed by using molecular dynamics and thermodynamic simulation, based on the CALPHAD methodology extended to nanoscale objects. It was established that the eutectic temperature of nanoparticles decreases by about 200 K compared to the bulk eutectic temperature, and the position of the eutectic point slightly shifts to a lower value of the molar fraction of Si.
Keywords: Au-Si  nanoalloy, phase diagram, molecular dynamics, thermodynamic simulation, CALPHAD.

Chesnokova N.A., Gushchina A.S., Kuranova N.N.
Thermodynamics of complex formation of copper (II) with isonicotinamide and acid-basic equilibrium of ligand in water-organic solutions – page 374
Abstract: The stability constants of copper complexes with isonicotinamide and the ligand protonation constants in a range of compositions of a water-ethanol solvent of 0.0 – 0.7 molar fractions of ethanol at 298.2 K and an ionic strength of the medium 0.25 (NaClO₄) were obtained by potentiometric methods.
Keywords: isonicotinamide, copper (II), potentiometry, ethanol, solvent, thermodynamics, aqueous-organic solutions.

Shishulin A.V., Shishulina A.V.
Equilibrium phase composition and mutual solubilities in fractal nanoparticles of the W – Cr heavy pseudo-alloy – page 380
Abstract: The influence of the nanomorphology on phase equilibria in core-shell nanoparticles of the stratifying W – Cr solid solutions has been simulated using methods of the equilibrium chemical thermodynamics. The nanoparticle shape has been determined by the value of the fractal dimension. The dependences of the mutual solubilities on the fractal dimension of nanoparticles have been calculated and some significant changes in the thermal stability of heterogeneous states in nanoparticles of different shapes have been revealed.
Keywords: decomposition of solid solutions, solubility, shape effect, core-shell, tungsten, chromium, fractal dimension.

Yurov V.M.
Thickness of the surface layer of atomic-smooth crystals – page 389
Abstract. A brief review of the physics of the surface layer of atomically smooth crystals is given. It already contains a fairly large number of practical applications in various fields of interdisciplinary areas. It has been shown that the thickness of the surface layer is determined by one fundamental parameter – the atomic volume of the crystal.
Keywords: surface layer, nanostructure, surface energy, atomic volume, size effect.

Baburkin P.O., Malyshev M.D., Ivanov V.A, Komarov P.V.
Can the crystallization of conjugated polymers be taken into account in simple mesoscopic models? – page 398
Abstract: The problem is considered of constructing coarse-grained models of matrices of conjugated polymers with regard to their crystallization. The performed simulation within the framework of the method of dissipative particle dynamics shows that to simulate the crystallization process, flexible-semi-flexible chains with thermodynamically incompatible blocks can be used.
Keywords: hydrogel, conjugated polymers, crystallization, mesoscopic modeling.

Belenkov M.E., Chernov V.M.
Crystal and electronic structure of 3-12 graphene functionalized by fluorine – page 406
Abstract: The structure and electronic properties of a new structural variety of fluorographene were calculated by the density functional theory method. Only one polymorphic variety of fluorographene based on graphene 3-12 is possible, in which all atoms are in equivalent structural positions. The hexagonal unit cell 3-12 of fluorographene contains 12 atoms, the sublimation energy is 13,77 eV/(CF), the band gap is 3,43 eV.
Keywords: graphene, fluorographene, ab initio calculations, crystal structure, electronic properties, polymorphism.

Blinov A.V., Yasnaya M.A., Blinova A.A., Shevchenko I.M., Momot E.V., Gvozdenko A.A., Senkova A.O.
Computer quantum-chemical simulation of polymeric stabilization of silver nanoparticles – page 414
Abstract: The paper presents the results of simulation the process of the silver nanoparticle stabilization with polyvinylpyrrolidone. The quantum chemical simulation was carried out in a QChem application using the IQmol molecular editor. At the first stage, models of the structures of polymer molecules and polymer complexes with silver were described. At the second stage, based on the designed models, the total energy of the polyvinylpyrrolidone-Ag  system was calculated and the most energetically favorable type of interaction between silver atoms and polyvinylpyrrolidone was established. At the third stage, the spectral characteristics of the polyvinylpyrrolidone-Ag  molecular complex were simulated and the obtained data were compared with the IR spectra of the synthesized polyvinylpyrrolidone-Ag  samples.
Keywords: silver nanoparticles, polyvinylpyrrolidone, stabilization, computer quantum chemical modeling.

Bogdanov S.S., Myasnichenko V.S., Kolosov A.Yu., Sokolov D.N., Akimova Yu.N., Antonov A.S., Sdobnyakov N.Yu.
The features of the crystallization process in bimetallic nanostructures under external pressure – page 422
Abstract: In this paper the process of the structure formation in the bimetallic nanosystem Au – Ag of the equiatomic type at different external pressures has been investigated. It has been found that the external pressure affects the process of formation of the bcc phase only slightly, as does the size factor as well. At the same time, the ratios between fcc, hcp and icosahedral phases can vary significantly, under influence of both the external pressure and thesize effect.
Keywords: external pressure, crystallization, bimetallic nanostructures, molecular dynamics, external communication potential, structural transformations.

Vasilyev S.A., Kartoshkin A.Yu., Samsonov M.V., Dyakova E.V.
Melting of binary metal nanowires: molecular dynamics simulation – page 431
Abstract: In this paper a molecular-dynamic study of melting of binary metal nanowires with different initial composition and mesoscopic structure is carried out. For the Ni – Cu system it is shown that the melting temperature is significantly affected not only by the percentage of components, but also by their location in the particle, i.e. by the mesoscopic structure. Thus, the Ni nanowire coated with Cu atoms retains its stability at much higher temperatures than the Cu nanowire coated with Ni atoms, ceteris paribus.
Keywords: metal nanowire, Ni – Cu system, melting, size dependence, molecular dynamics.

Vasilyev S.A., Romanov A.A., Vostrov N.V., Skopich V.L., Savina K.G.
Molecular dynamics study of size dependences of melting and crystallization heats of platinum and palladium nanoclusters – page 436
Abstract: On the basis of the molecular dynamics results obtained by using the tight binding potential, the heats of melting, crystallization, and also the sublimation and evaporation heats of platinum and palladium nanoclusters were found. The obtained size dependences are linear if the inverse radius is chosen as an argument, which allows extrapolating the dependencies to the corresponding bulk phases and comparing with the tabulated values.
Keywords: platinum nanoclusters, palladium nanoclusters, molecular dynamics; tight binding potential, heat of melting, heat of crystallization, heat of sublimation, heat of evaporation.

Gafner Yu.Ya., Ryzhkova D.A., Zamulin I.S.
Estimating copper and gold nanoalloy applicability as an active layer of phase-inverse memory cells – page 443
Аbstract: In this work a method of computer simulation was used to study the process of the smooth cooling of nanoclusters of an alloy of copper and gold from the melt of various chemical compositions in order to analyze their applicability as the material of the active layer of phase-inverse memory cells. According to the results of the study, it was concluded that the optimal configurations are those with a gold content of 10% and 90% in the alloy with a particle size of 8 and 4 nm, respectively.
Keywords: phase-inverse memory, nanoclusters, computer simulation, gold, copper.

Gafner Yu.Ya., Gafner S.L.
Influence of chemical composition on the size of Cu – Au nanoparticles synthesized from the gas phase – page 449
Аbstract: The paper presents the results of a computer simulation by using a molecular dynamics method of synthesizing binary Cu – Au nanoclusters by condensation from a gaseous phase. To calculate the interatomic interaction forces, a modified tight-binding potentials with a fixed cutoff radius was used. The initial point of the process of condensation of nanoparticles from the gas phase was a configuration containing Cu and Au atoms (total number of 91124) distributed in a simple cubic lattice with the lattice parameter of 30a_B, where a_B is the Bohr radius (the periodic boundary conditions were used). For the analysis, we selected the initial configurations of different chemical compositions: Cu₃Au, CuAu, Cu₉₀Au₁₀, Cu₆₀Au₄₀ which were cooled with the liquid nitrogen during the condensation process.
Keywords: nanotechnology, nanopowders, computer simulation, tight-binding, nanoparticles, copper, gold.

Greshnyakov V.A., Belenkov E.A.
Phase transformations of LA3 and LA5 diamond polymorphs – page 458
Abstract: Ab initio investigations of possible methods for obtaining diamond-like LA3 and LA5 phases, consisting of polymerized cyclobutane rings, were performed. It was established that LA3 phase can be obtained from L₆ AA and L_4-8 AA graphites at pressures from 50 to 67 GPa, whereas LA5 phase can be formed from L₆ AB and L_4-8 AB graphites at pressures from 45 to 71 GPa. In addition, LA5 phase can be obtained by strong uniaxial compressing of LA3 phase at pressures above 160 GPa.
Keywords: diamond, diamond-like phases, ab initio calculations, crystal structure, phase transitions.

Kartashynska E.S., Vysotsky Yu.B.
Quantum-chemical analysis of dimerization thermodynamics for carboxylic acids and aliphatic amines at the air/water interface – page 466
Abstract: In the frameworks of the quantum-chemical semiempiric PM3 method the thermodynamic parameters of the formation and dimerization processes are calculated for aliphatic amines C_nH_2n+1NH₂ and carboxylic acids C_nH_2n+1COOH (n = 6-16). It was found that the spontaneous dimerization threshold for mixed associates of surfactants is  carbon atoms in the 18-19 chain at 298 K. Formation of three types of mixed dimers from four is isoenergetic. They are mediate between corresponding pure dimers of amines and carboxylic acids. This suggests further formation of mixed 2D-film with the domain structure.
Keywords: aliphatic amines, carboxylic acids, enthalpy, entropy, Gibbs’ energy of dimerization, PM3 method.

Kotomkin A.V., Rusakova N.P., Turovtsev V.V., Orlov Yu.D.
Steric effect in difluorinealcane molecules – page 478
Abstract: Fifteen conformers of the CHF₂ – (CH₂)₆ – CH₃ molecule were found. Within a «quantum theory of atoms in molecules», their equilibrium geometry, total energies and the electron structure were studied. Analysis and comparison of electron parameters revealed in some structures a steric effect from CHF₂.
Keywords: steric effect, electronegativity, quantum theory of atoms in molecules, electron charge density, fluorinealkanes.

Myasnichenko V.S., Samsonov V.M., Sdobnyakov N.Yu., Bembel A.G., Vasilyev S.A., Kolosov A.Yu., Savina K.G., Ershov P.M., Sokolov D.N.
Computer models of dealloying in binary metal nanoparticles – page 487
Abstract: Two alternative molecular dynamics models (programs) involving the Gupta (tight-binding) potential have been used to reproduce the dealloying phenomenon in the Au – Ag nanoalloy. Program I successively removes Ag atoms from the particle surface layer (we simulated nanoparticles consisting initially of 1500 Au and 1500 Ag atoms). Program II proposes search and removing atoms with lowest specific binding energies. We have found that as a result of dealloying the particle surface layer is really enriched with Au atoms. However the particle core keeps in general the structure of the initial nanoalloy. We have also established that dealloying results in formation a defected particle structure (vacancies, first of all). Presumably, just such an effect yields the porous structure of bigger Au – Ag particles in laboratory experiments on dealloying.
Keywords: dealloying phenomenon, molecular dynamics method, binary metal nanoparticles, segregation, defects, core-shell structures.

Myasnichenko V.S., Kolosov A.Yu., Shcherbatykh K.R., Sdobnyakov N.Yu.
Simulation of diffusion near the interface of metals in nanoalloys Co – M (M = Au, Cu, Pt) – page 500
Abstract: This paper presents results of molecular dynamics simulations for ordered configurations of cobalt nanoalloys. Atomic diffusion in Janus particles with a diameter of 3.6 nm was studied in the temperature range up to 1200K. It was found that the diffusion coefficient significantly depends on the composition of nanoparticles, namely on the degree of dimensional mismatch of the nanoalloy components. At the same time, the diffusion coefficient increases slightly when the relative number of vacancies doubles from 1% to 2%.
Keywords: cobalt-containing nanoalloys, volume and surface diffusion, interface, vacancies, molecular dynamics method, Janus particles.

Ryashentsev D.S., Belenkov E.A.
Ab initio calculations of the structure and electronic properties of BN layered compounds from sp- and sp²– hybritized atoms – page 511
Abstract: BN layers with a structure similar to that of graphyne were theoretically investigated by the density functional theory method in the generalized gradient approximation. The model structure of polymorphic varieties of BN layers was constructed on the basis of hexagonal boron nitride layers by replacing interatomic bonds with diatomic molecular BN fragments. As a result of theoretical analysis, the possibility of the existence of seven basic structural varieties of graphyne-like boron nitride has been established. However, with geometric optimization, only six polymorphs were stable. The structure of BN – L₆ – γ3 polymorph was transformed into the structure of the initial BN – L₆ layer. The sublimation energy of graphyne-like BN layers varies in the range from 16,29 to 17,00 eV/(BN), the width of the band gap is from 2,14 to 4,02 eV. The layered density of the BN layers varies from 0,33 to 0,58 mg/m².
Keywords: boron nitride, ab initio calculations, crystal structure, electronic properties, polymorphism.

Sdobnyakov N.Yu., Samsonov V.M., Kolosov A.Yu., Vasilyev S.A., Myasnichenko V.S., Sokolov D.N., Savina K.G., Veselov A.D.
To the problem of stability/instability of bimetallic structures Co (core)/ Au (shell) and Au (core)/ Co (shell): atomistic simulation – page 520
Abstract: In this work, we performed atomistic modeling of the behavior of Co (core) – Au (shell) and Au (core) – Co (shell) during thermal exposure in order to study the stability/instability problem for the above nanostructures using the tight binding potential and two alternative computer programs based on the molecular dynamics and Monte Carlo methods. It has been shown that both the Co (core) – Au (shell) and Au (core) – Co (shell) structures can be stable. However, molecular dynamics results predict a short-term decay of Au₂₅₀₀ (core) / Co₂₅₀₀ (shell) nanostructures in a high-temperature region followed by a self-assembly, while the Monte Carlo method predicts the appearance of defects – cavities in the particle core and on the boundary between two components. It is concluded that the size effect can be the main factor determining stability/instability for the Co (core) – Au (shell) and Au (core) – Co (shell) structures.
Keywords: stability/instability, molecular dynamics method, Monte-Carlo method, binary metal nanoparticles, core-shell structures.

Ashkhotov O.G., Ashkhotova I.B., Aleroev M.A., Krimshokalova D.A.
Influence of heat treatment on the condition of thin-film system Cr + Ni on silicon – page 535
Abstract: Using Auger electron spectroscopy, an experimental study of the Si – Cr – Ni system was carried out. A comparative analysis of the results before and after exposure to thermal shock at the interfaces showed the effect of temperature on the distribution of elements over the thickness of the deposited layers. An increase in the number of thermal shocks leads to the fact that nickel remains on the surface of the silicon substrate, and chromium diffuses into silicon.
Keywords: analysis, substrate, distribution, spectrum, system, monochromaticity, energy analyzer, thermal shock, electron gun, temperature, diffusion, adhesion.

Bashkaykina A.N., Pan’kin N.A., Mishkin V.P.
Research of Al – SiC and Cu – SiC systems after forming of powder mixture – page 540
Abstract: This article presents the results of a study of the microstructure and density of powder materials of the Al – SiC and Cu – SiC systems. They are obtained by cold forming a mixture of powders of copper, aluminum and silicon carbide. A model for molding powder systems consisting of plastic (metal) and brittle (SiC) materials is proposed.
Keywords: molding, microstructure, powder body, porosity, density, mechanistic model, metal, silicon carbide.

Bogdanova E.A., Giniyatullin I.М., Pereverzev D.I., Razgulyaeva V.М.
Influence of reinforcement additives on sintering and hardening processes of nanoscale hydroxyapatite – page 548
Abstract: The article discusses a possibility of hardening nanostructured hydroxyapatite obtained by deposition from a solution, through the introduction of the reinforcement additive Al₂O₃, ZrO₂, SiO₂ (10, 15, 20, 30  wt.%). The influence of the qualitative and quantitative composition on sintering processes and strength characteristics of investigated samples has been shown.
Keywords: hydroxyapatite, composite biomaterials, ceramics, sintering, microhardness.

Bolotov A.N., Novikova O.O.
Lubrication properties of magnetic nanoliquids based on carboxylic acids – page 555
Abstract: We adduce technological characteristics of synthesis and properties of low-viscous magnetic lubricant nanoliquids with dispersion phase based on diester carboxylic acids. Some physical-chemical and tribological differential characteristic of the diester magnetic lubricant oils are presented. We researched the lubrication properties of the magnetic nanoliquids in various friction conditions and determine their peculiar characteristics. It was analized the influence of the series of antiwear additions on the friction.
Keywords: magnetic lubricant nanoliquid, friction, wear, lubricant, antifriction and antiwear additions.

Bolotov A.N, Novikova O.O
Magnetic properties of the magnetic nanodispersed lubricant oils – page 564
Abstract: In this work we adduce the results of the research of a magnetic properties of the magnetic lubricant oil in original condition and after triboeffects. We determined the parameters of the oil composition and structure changing in friction and causing the degradation it magnetic properties. The oils properties were measured with an original magnetometer with a Hall sensor.
Keywords: magnetic lubricating oils, friction, wear, lubricant, magnetic oil magnetization intensity, dispersion phase polarity.

Devitsky O.V., Kravtsov A.A.
Study of functional coatings of polyvinyl butyral with silver nanoparticles for photovoltaic converters – page 574
Abstract: Films of polyvinyl butyral with silver nanoparticles were obtained on the surface of solar cells. Spectral dependences of the external quantum yield of a solar cell at various concentrations of silver nanoparticles in a polyvinyl butyral film are presented. The largest increase in the external quantum yield of the solar cell (by 22,3%) in the spectral range 540-1040 nm was recorded at a concentration of silver nanoparticles in a film-forming solution of 7 mmol/L.
Keywords: plasmon resonance, silver nanoparticles, functional coatings.

Zlygosteva O.A., Sokovnin S.Yu., Ilves V.G.
Managing the textural properties of SiO₂, SiO₂ – MnO₂, CaF₂ nanopowders – page 582
Abstract: Physical and chemical properties of nanomaterials depend not only on the nature of the substance, but also on the size and shape of particles and pores. This paper investigates methods for managing the textural properties of nanopowders, obtained by pulsed evaporation by an electron beam in vacuum. The methods include doping at the stage of the nanopowder production, ultrasonic processing of aqueous suspensions of nanopowders and irradiating nanopowders with relativistic electrons.
Keywords: managing properties, porosity, nanopowder, silicon dioxide, fluorides.

Ivanova G.D., Myagotin A.V., Ivanov V.I.
Light induced lens in a transparent dense nanosuspension – page 590
Abstract: The light-induced concentration lens in a transparent dispersive medium at high radiation intensity was analyzed taking into account the interaction (repulsion) of nanoparticles. It is shown that the dependence of the light-lens response versus the intensity of radiation has the maximum due to the saturation of concentration of nanoparticles in the dense nanosuspension.
Keywords: light-induced lens, light-lens response, self-action of the radiation, electrostriction, nanosuspension.

Ivanov Yu.F., Petrikova E.A., Teresov A.D., Tolkachev O.S.
Structure and properties of surface layer of high-chrome austenitic steel borated by combined electron-ion-plasma method – page 596
Abstract: It was established that comprehensive surface treatment of 12Cr18Ni10Ti (AISI 321) high-chromium stainless steel, combining the electro-explosive alloying with titanium and boron and subsequent irradiation with an intense pulsed electron beam, allows the formation of a multiphase submicro- nanocrystalline surface layer up to 60 µm thick, whose microhardness and wear resistance exceed the initial state microhardness by 7 times, wear resistance – by more than 9 times.
Keywords: plasma, intense pulsed electron beam, austenitic steel, titanium, electroexplosive boration, phase composition, defective substructure, properties.

Klopotov A.A., Ivanov Yu.F., Petrikova E.A., Teresov A.D., Tolkachev O.S., Volokitin O.G., Klopotov V.D.
Saturation of the steal surface by titanium and boron electron-ion-plasma method: phase-structural composition – page 605
Abstract: The analysis of diagrams of the state of the Fe – B – Ti, Fe – Cr – B and Fe – Cr – Ti systems is carried out, describing the phase converting into high-chromium stainless steel of 12Cr18Ni10Ti (AISI 321) alloyed by titanium and boron. It is shown that in the conditions of the high-speed tempering realized at the electro-explosive alloying by titanium and boron and irradiation by an intensive pulsed electronic beam, compounds from two elements are formed in the steel only.
Keywords: austenitic steel, titanium, boron, state diagram, intense pulsed electron beam, electric explosive alloying, phase composition, defective substructure.

Krut’ko V.K., Musskaya O.N., Kulak A.I., Safronova T.V.
Thermal evolution of calcium phosphate foam ceramics obtained on the basis of hydroxyapatite and monocalcium phosphate of monohydrate – page 615
Abstract: The introduction of a 15 – 85 wt.% powder of monocalcium phosphate monohydrate Ca(H₂PO₄)₂ · H₂O into the hydroxyapatite suspension after annealing at 1200°C leads to the formation of resorbable calcium phosphate phases (tricalcium phosphate, calcium pyrophosphate), which makes it possible to control the phase composition of foam ceramics.
Keywords: calcium phosphate ceramic foam, hydroxyapatite, monocalcium phosphate monohydrate, thermal evolution, calcium pyrophosphate, tricalcium phosphate.

Nazarov A.D., Pan’kin N.A.,.Mishkin V.P.
Research of the powder system «titan – copper» after cold forming – page 624
Abstract: This article presents the results of a study of the microstructure and density of the material obtained after molding a mixture of powders of copper and titanium. Scanning electron microscopy indicates a slight deformation (mainly in the elastic region) of titanium particles and plastic – for copper grains. Scanning electron microscopy and density measurement results indicate the presence in the powder body of the volume occupied by the pores. The process of pressing a copper-titanium system is well described within the framework of a mechanistic model.
Keywords: mechanistic model, powder body, microstructure, density, pore space, pressing diagram.

Neustroev E.P., Prokopiev A R.
Properties of nanographite formed by plasma deposition and subsequent heat treatment – page 629
Abstract: The properties of nanographite flakes formed by the plasma deposition of methane CH₄ on the SiO₂ surface and subsequent heat treatment at 650°C were studied using Raman spectroscopy, atomic force microscopy and electrical measurements. From the results of studies, the formation of a carbon nanocrystalline structure with domain sizes of about 1,7 nm and a thickness of up to several nanometers was established.
Keywords: Plasma deposition, methane, heat treatment, nanographite, conductivity mechanism.

Petrik G.G.
Intermolecular potential curves – «companions» and forecast on their basis of the critical parameters – page 636
Abstract: An inflection point is entered in the description of the potential curve (PC). Taking into account the emerging possibilities, the potentials of Mi (n – 6) reduced by the properties of nine substances from globular molecules were analyzed. The observed inconsistencies in the shape of the WF₆ potential was the starting point of the analysis that led to the new notion of companion PCs. It was found that the restored PC with low error is predicted to be critical temperature, and the PC companion is predicted to be critical volume.
Keywords: intermolecular interaction, model potential, potential curve, form factors, inflection point, Mi’s (n – m) potential, critical parameters, globula.

Sarkisov V.V., Logvinovich A.S., Shcherbakova V.B., Sadovskaуa L.Yu., Sviridova Т.V., Kapariha A.V., Sviridov D.V.
Structure and morphology control of metal-matrix composites by using redox-active nanophases – page 645
Abstract: The paper presents the results of a study of the possibility of creating metal-matrix composites «nickel – transition metal oxide», characterized by increased corrosion resistance, due to the targeted compaction of the metal matrix under the conditions of catalysis of electrocrystallization processes by oxide phases with controlled redox activity.
Keywords: metal – matrix composites, molybdenum trioxide, tungsten trioxide, vanadium pentoxide, electrochemical nickel coatings.

Skachkov V.М., Pasechnik L.А., Yatsenko S.P.
Low-melting non-toxic alloys as matrices of composite compounds for permanent connection of heterogeneous materials – page 654
Abstract: A number of diffusion-hardening composite solders for flux-free connection of heterogeneous materials are considered. The possibilities of changing the thermal expansion coefficient of connecting soldering joints are checked. The manufacturability of using solder pastes of different composition is shown and recommendations for connecting of heterogeneous materials are given. Joining of heterogeneous materials with the use of composite alloys by applying pastes at room temperature and subsequent low-temperature treatment (< 180 °C) with the production of vacuum-tight and durable joints finds wide application in new equipment (gyroscopes, optical quantum generators, solar panels, electronic systems, etc.). The introduction of heterodesmic compounds into the composition of composite materials allows one to obtain a connecting seam with a thermal expansion coefficient value, which is intermediate between the connected parts. Mechanochemical activation, ensuring the generation of non-equilibrium defect structures, makes it possible to dramatically improve the reactivity and synthesize new phases with a high chemical activity. A non-toxic tooth filling material has been created, which has a convenient manufacturability period and mechanical properties exceeding those of toxic amalgams, «metallogent»/silver amalgam: compression strength after 1 h 160 / 110 MPa; microhardness after 24 h 2000 / 1200 MPa. The compositions based on a matrix of gallium alloys with copper or copper with tin, zinc, silver, indium, bismuth etc. powders are hardened forming mainly medium-temperature (450 – 550 °C)) compounds.
Keywords: gallium, diffusion-hardening solder, flux-free soldering, powder, alloy.

Shikunov D.A., Simakov V.V., Sinev I.V., Shcherbakova E.A., Timoshenko D.A.
Recognition of organic vapors in air by variation operation mode of the gas sensor – page 665
Abstract: The results of experimental studies of sensitivity to organic vapors in air of the tin dioxide gas sensor are presented. It is shown that there is a fundamental possibility of recognizing organic vapors in air using a single chemoresistive sensor by varying temperatures of the operation heater.
Keywords: gas mixtures recognition, variation operating mode, gas sensors, tin dioxide thin films.