https://www.elibrary.ru/title_about_new.asp?i 1605-8119 39 1 2018 1-134

RAR RUS 1-7 Tver State University Alekseev

Tver, Russia

Belarusian State University of Informatics and Radioelectronics Krivosheeva

Minsk, Belarus

Belarusian State University of Informatics and Radioelectronics Shaposhnikov

Minsk, Belarus

Belarusian State University of Informatics and Radioelectronics Borisenko

Minsk, Belarus

Lattice thermal conductivity of transition metal dichalcogenides Ab initio simulation of phonon spectra and lattice thermal conductivity of monomolecular layers of transition metal dichalcogenides is performed. Size and temperature dependence of lattice thermal conductivity are analyzed and the difference between transition metal dichalcogenides is explained. 10.18720/MPM.3912018_1 dichalcogenide phonon thermal conductivity transition metal monolayer https://mpm.spbstu.ru/article/2018.64.1/ MPM139_01_alexeev.pdf

RAR RUS 8-14 Lobachevsky State University of Nizhni Novgorod Baranova

Nizhni Novgorod, Russia

Belarusian State University of Informatics and Radioelectronics Hvazdouski

Minsk, Belarus

Belarusian State University of Informatics and Radioelectronics Stempitsky

Minsk, Belarus

Belarusian State University of Informatics and Radioelectronics Vauchok

Minsk, Belarus

University of Bialystok Najbuk

Bialystok, Poland

Electronic and optic properties of transition metal dichalcogenides (MoS2, WSe2) and graphene heterostructures Double-layer heterostructures were studied. The energetic influence of the quasi-twodimensional materials (MoS2 and WSe2) on the electrical properties of graphene was simulated. Electron density functional (DFT) implemented into VASP program was chosen to take into account van der Waals forces. Interlayer distances were determined for the systems studied by suitable electron density functional (DFT-D2). The distance is 3.50 Å for WSe2/G and 3.45 Å for MoS2/G respectively. Energy band structures were calculated; the influence of electric field on band structure being taken into account. A quantum-mechanical simulation was performed for determining dielectric permittivity, absorption coefficient, reflected index, Brewster angle and the critical angle. 10.18720/MPM.3912018_2 ab initio simulation dichalcogenide graphene heterostructure transition metal https://mpm.spbstu.ru/article/2018.64.2/ MPM139_02_baranava.pdf

RAR RUS 15-20 Lobachevsky State University of Nizhni Novgorod Baranova

Nizhni Novgorod, Russia

Belarusian State University of Informatics and Radioelectronics Danilyuk

Minsk, Belarus

Belarusian State University of Informatics and Radioelectronics Stempitsky

Minsk, Belarus

Direct exchange interaction of cobalt chains in zinc oxide: model approach Magnetic properties of ZnO with intrinsic point defects, such as Co impurity, were calculated in the framework of quantum-mechanical Heisenberg model. Direct exchange in the chain model of magnetic ion impurities was studied, the magnetic chain was being created in (001) and (100) planes. In both cases the ground states of systems have antiferromagnetic order. Exchange interaction integrals were obtained (-1.5 and 0.5 meV). We have also calculated microscopic magnetic parameters: Curie temperature (Tc_in = 34.04 and Tc_out=10.7 K), stiffness constant (Din=82.4, Dout=25.8 meV Å2), saturation magnetization (Msat_in=2.88×105, Msat_out=2.89×105A/m), exchange constant (Ain=4.46× 10-13 and Aout=1.42×10-12 J/m), and Bloch constant (Bin=6.53×10-5Bout= 3.7×10-4 K3/2). For the energy of magnetic anisotropy of ZnO:Co structure it was found that the easy magnetization axis lies in (100) plane. The value of magnetic anisotropy for the whole cell is 0.06 meV. The anisotropy energy density is 5.54 × 104 J / m3. 10.18720/MPM.3912018_3 cobalt impurity density functional theory calculation zinc oxide https://mpm.spbstu.ru/article/2018.64.3/ MPM139_03_baranava.pdf

RAR RUS 21-26 Institute of Theoretical Physics and Astronomy of Vilnius University Tamuliene

Vilnius, Lithuania

Ab initio studies of silver precursor for febid: Ag(PMe3)n n=2,3,4 The detailed structure, thermal and chemical stability of the Ag(PMe3)n compounds were studied by applying quantum chemical method. The results obtained showed that Ag(PMe3)2 and Ag(PMe3)4 could be used as precursors for FEBID. The appearance energy of Ag was evaluated to find the most promising dissociation ways. 10.18720/MPM.3912018_4 Ag compound DFT calculation dissociation precursor https://mpm.spbstu.ru/article/2018.64.4/ MPM139_04_tamuliene.pdf

RAR RUS 27-34 Belarusian State University of Informatics and Radioelectronics Hvazdouski

Minsk, Belarus

Belarusian State University of Informatics and Radioelectronics Stempitsky

Minsk, Belarus

Ab initio simulation of graphene interaction with SiO2 substrate for nanoelectronics application First-principles calculations were carried out by the Vienna Ab initio Simulation Package (VASP). Preliminary calculations showed that DFT-D3 method with Becke-Jonson damping present good agreement of lattice constant with experiment data. Ground state of graphene position on the SiO2 surfaces obtained has been determined. Interlayer distances between graphene and different types of quartz substrate have been calculated; the interlayer distances being 3.31 Å and 4.32 Å for models with open oxygen dangling bonds and with open silicon dangling bonds, respectively. The adsorption energy of graphene on the amorphous SiO2 surface with open oxygen dangling bonds is larger than the adsorption energy on the second type of surface. We observed the 0.12 eV band gap in the case with open oxygen dangling bonds. This kind of quartz surface can be source of a charge puddle. 10.18720/MPM.3912018_5 ab initio calculation adsorption amorphous SiO2 graphene surface https://mpm.spbstu.ru/article/2018.64.5/ MPM139_05_hvazdouski.pdf

RAR RUS 35-42 Belarusian State University of Informatics and Radioelectronics Skachkova

Minsk, Belarus

Electronic properties of phosphorene with vacancies: ab initio study Vacancy influences on phosphorene electronic properties were investigated using Density Functional Theory for structures with one, two and three vacancies. It's shown that divacancy has the minimal formation energy. One and three vacancies lead to magnetic moment emergence on dangling bonds. 10.18720/MPM.3912018_6 density functional theory electronic property phosphorene vacancy https://mpm.spbstu.ru/article/2018.64.6/ MPM139_06_skachkova.pdf

RAR RUS 43-48 Peter the Great St. Petersburg Polytechnic University Melker A.I.

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Vorobyeva

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Zarafutdinov

St.Petersburg, Russia

Fullerenes of the Δn=4 series Fusion reactions of cages and fullerenes C4, C6 C8, C10, C12 and C14 with each other are modeled on the basis of Arrhenius's postulate. It means that at first there forms an intermediate compound and afterwards a chemical reaction is going on. During the reactions new covalent bonds between the reacting atoms of different fullerenes are formed and old covalent bonds are destroyed. The process is similar to fusion of bubbles in a soap solution. The graphs describing the process are suggested. We have obtained fullerenes C8, C12 C16, C20, C24 and C28 that can be incorporated in the fullerene periodic system as the Δn=4 series. 10.18720/MPM.3912018_7 cage energy fullerene fusion reaction graph modeling https://mpm.spbstu.ru/article/2018.64.7/ MPM139_07_melker.pdf

RAR RUS 49-55 Peter the Great St. Petersburg Polytechnic University Melker A.I.

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Krupina

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Zarafutdinov

St.Petersburg, Russia

Fullerenes of the Δn=2 series Fusion reactions of triangle C3 and square C4 carbon molecule with each other create elementary fullerenes C6 and C8. In its turn surface reactions of the fullerenes formed with square C4 carbon molecule produce other prism fullerenes C10, C12 and C14. The surface reactions C6 + C4 → (C6 C4) → C10,   C10 + C4 → (C10 C4) → C14,   C8 + C4 → (C8 C4) → C12   are modeled on the basis of Arrhenius's postulate. All the fullerenes obtained constitute the Δn= 2 series fullerenes of the periodic system of basic perfect fullerenes. Together with the Δn= 4 series this series finishes designing the periodic system from above. 10.18720/MPM.3912018_8 carbon molecule energy fullerene fusion reaction modeling periodic system https://mpm.spbstu.ru/article/2018.64.8/ MPM139_08_melker.pdf

RAR RUS 56-60 Peter the Great St. Petersburg Polytechnic University Gerasimov

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Zarafutdinov

St.Petersburg, Russia

St.Petersburg State Technological Institute Proskurina

St.Petersburg, Russia

C60 copper fullerite: synthesis and properties Chemical method for copper fullerite synthesis is presented. In order to complete reaction, chemical reagents fullerenol C60OH42 and copper sulphate II CuSO4 were used. The data obtained allow conclude that chemical method for metal fullerites synthesis is perspective for further study. 10.18720/MPM.3912018_9 chemical synthesis copper fullerene fullerite https://mpm.spbstu.ru/article/2018.64.9/ MPM139_09_gerasimov.pdf

RAR RUS 61-67 Peter the Great St. Petersburg Polytechnic University Sanin

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Smirnovsky

St.Petersburg, Russia

Stochastic resonances of quantum quartic oscillator Quantum oscillator with spatial quartic potential and parametric complement has been investigated in context of the Schrödinger-Langevin-Kostin equation. The properties and stochastic resonances are numerically studied by means of the time realizations for mean coordinate and its Fourier spectra. Analogous effects take place in an empty well. 10.18720/MPM.3912018_10 friction quantum quartic oscillator stochastic resonance https://mpm.spbstu.ru/article/2018.64.10/ MPM139_10_sanin.pdf

RAR RUS 68-74 Belarusian State University of Informatics and Radioelectronics Podryabinkin

Minsk, Belarus

Belarusian State University of Informatics and Radioelectronics Danilyuk

Minsk, Belarus

Breakdown and conductivity switching in nanosized hafnium dioxide Atomic migration and electronic switching of bi-stable centers in conducting filaments formed in nanooxide based resistive random access memory (RRAM) cells are modeled and analyzed as competitive mechanisms determining their operation frequency. They are mediated by the filament growth dynamics. Atomic migration is responsible for a slow change of the filament resistivity with typical switching times in the millisecond range. Fast switching with the shortest nanosecond delay can be achieved using bi-stable electronic centers in the filaments. Possible configurations of such centers are discussed. 10.18720/MPM.3912018_11 conductivity switching memory cell nanooxide https://mpm.spbstu.ru/article/2018.64.11/ MPM139_11_podryabinkin.pdf

RAR RUS 75-80 Belarusian State University of Informatics and Radioelectronics Trafimenko

Minsk, Belarus

Belarusian State University of Informatics and Radioelectronics Danilyuk

Minsk, Belarus

Emission properties of an array of silicon nanocones In this paper we investigate the emission properties of an array of silicon nanocones containing cobalt nanoparticles at their vertices. Nanocones are formed on a silicon substrate by deposition a cobalt film, processing it to obtain an array of nanoparticles with a diameter of 20-30 nm and subsequent etching of silicon. Nanocones of silicon are separated from the conductive substrate by a layer of silicon oxynitride with the thickness of 8 nm. The results of modeling the current transfer in Si(Sb)/SiOxNy/Co nanocones and an estimation of their emission properties are presented. 10.18720/MPM.3912018_12 electron transport emission nanocone oxynitride silicon https://mpm.spbstu.ru/article/2018.64.12/ MPM139_12_trafimenko.pdf

RAR RUS 81-86 Peter the Great St. Petersburg Polytechnic University Bezrukova

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Vlasova

St.Petersburg, Russia

Optical characterization of 3D disperse systems with nano- and micro- particles: unique vectors Three classes of parameters can be obtained from the different optical methods for nondestructive testing of 3D disperse systems with nano- and microparticles. These optical methods are refractometry, absorbance, fluorescence, light scattering (integral and differential, static and dynamic, unpolarized and polarized). Each of 3D disperse system can be characterized by unique vector in the N-dimensional space of the second-class optical parameters. The phenomenon can be used for elaboration of on-line control of systems with nano- and / or microparticles in the water or air medium. 10.18720/MPM.3912018_13 absorbance disperse system fluorescence light scattering nanoparticle https://mpm.spbstu.ru/article/2018.64.13/ MPM139_13_bezrukova.pdf

RAR RUS 87-91 Belarusian State University of Informatics and Radioelectronics Pechen

Minsk, Belarus

Belarusian State University of Informatics and Radioelectronics Prudnik

Minsk, Belarus

Interaction of optical waves with a screening thin-film aluminum coating having nickel nanoparticles Simulation of interaction of the optical waves (200...1000 nm) with nanostructure aluminum-nickel thin-film shields in the program CST Studio Suit is presented. Relationships between optical properties, substrate temperature and film composition are found. 10.18720/MPM.3912018_14 absorption nanoparticle reflection thin film ultraviolet region wavelength https://mpm.spbstu.ru/article/2018.64.14/ MPM139_14_pechen.pdf

RAR RUS 92-101 Belarusian State University of Informatics and Radioelectronics Lovshenko

St.Petersburg, Russia

Belarusian State University of Informatics and Radioelectronics Khanko

Minsk, Belarus

Belarusian State University of Informatics and Radioelectronics Stempitsky

Minsk, Belarus

Radiation influence on electrical characteristics of complementary junction field-effect transistors exploited at low temperatures Computer simulations of fabrication processing p-and n-channel junction field-effect transistor with design norms of 1.5 µm is presented. Corrections to parameters of Klassen mobility model are proposed. They ensure the correspondence between calculated current-voltage characteristics and experimental data. For the investigated device structures of JFET, an analysis of the influence of various types of penetrating radiation on electrical characteristics is carried out. Optimization calculations gave the modes of processing procedure, which reduce the effect of the neutron flux with energy 1.5 MeV on the electrical characteristics of n-JFET device structure by 1.45 times. 10.18720/MPM.3912018_15 computer simulation current-voltage characteristic field-effect transistor neutron radiation https://mpm.spbstu.ru/article/2018.64.15/ MPM139_15_lovshenko.pdf

RAR RUS 102-110 Serikbayev East Kazakhstan State Technical University Alontseva

Ust-Kamenogorsk, Kazakhstan

Paton Electric Welding Institute Borisov

Kiev, Ukraine

Paton Electric Welding Institute Voinarovych

Kiev, Ukraine

Paton Electric Welding Institute Kyslytsia

Kiev, Ukraine

Serikbayev East Kazakhstan State Technical University Prokhorenkova

Ust-Kamenogorsk, Kazakhstan

Serikbayev East Kazakhstan State Technical University Russakova

Ust-Kamenogorsk, Kazakhstan

Serikbayev East Kazakhstan State Technical University Krasavin

Ust-Kamenogorsk, Kazakhstan

East-Kazakhstan State University Bektasova

Ust-Kamenogorsk, Kazakhstan

Development of microplasma spraying technology for applying biocompatible coatings This paper describes the equipment and technology of microplasma spraying from powder and wire materials for applying biocompatible coatings for medical imlants and instruments. The authors observe the challenges and prospects of the implementation of the technology for manufacturing medical products and point out the successful application of microplasma spraying technology for applying biocompatible coatings for hip implants. 10.18720/MPM.3912018_16 biocompatible coating hydroxyapatite medical implant microplasma spraying https://mpm.spbstu.ru/article/2018.64.16/ MPM139_16_alontseva.pdf

RAR RUS 111-119 Peter the Great St. Petersburg Polytechnic University Vasilyev

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Golikov

St.Petersburg, Russia

Carbon diffusion coefficient in alloyed ferrite A novel expression of carbon diffusivity in pure ferrite has been derived with parameters fitted to known empirical equations and additional experimental data obtained by the tracer atoms method. The expression is then refined by allowance for the alloying effect on the activation energy revealed with available experimental data on Fe-X binary alloys (X = Cr, Mo, Ni, Si) and our investigation of strain aging kinetics in low-carbon automotive BH.steels with various contents of Mn and P. 10.18720/MPM.3912018_17 alloy carbon diffusion ferrite steel https://mpm.spbstu.ru/article/2018.64.17/ MPM139_17_vasilyev.pdf

RAR RUS 120-127 Bauman Moscow State Technical University Savel'eva

Moscow, Russia

Bauman Moscow State Technical University Zhuravskii

Moscow, Russia

Modeling heat transfer in built-up curvilinear plate A mathematical model of material deposition on a curvilinear surface is constructed. The model considers convective heat transfer, heat transfer by radiation, heat and mass transfer during the material attachment to the surface. The possibility of model modification is shown by considering diffusive transfer of a material and the linear change of curvature through the plate thickness. The numerical algorithm developed allows finding the temperature profile in a curvilinear plate. 10.18720/MPM.3912018_18 chemical vapor deposition curvilinear surface numerical modeling https://mpm.spbstu.ru/article/2018.64.18/ MPM139_18_saveleva.pdf

RAR RUS 128-134 Peter the Great St. Petersburg Polytechnic University Krylov

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Skotnikova

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Tsvetkova

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Ivanova

St.Petersburg, Russia

Resistance to erosive destruction of steam turbine blades from titanium alloys, their structure and phase composition Using optical metallography, electron microscopy, X-ray analysis and X-ray microspectral analysis, we have developed a procedure for studying structural and phase transformations in the material of steam turbine blades from titanium alloy VT6 after technological treatments. An attempt was made establish a link between resistance to erosion destruction and structural and phase composition of titanium alloys. 10.18720/MPM.3912018_19 microhardness phase composition steam turbine blade titanium alloy https://mpm.spbstu.ru/article/2018.64.19/ MPM139_19_krylov.pdf