Current issue

Regular issue 10 (3) 2020

About the temperature of polymorphic phase transformation of austenite into ferrite of 12% chromium steel

E.K. Nesterenko, A.S. Kudryavtsev, A.Y. Askinazi, N.B. Gromova, N.F. Drozdova

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 237-242

Journal section: Structure design and analysis

Laser induced periodic surface strictures (LIPSS) formed on titanium alloy VT6 (Ti6Al4V) surfaces after irradiation with fs-laser pulses (320 fs, 1030 nm)

Structural-phase state of near-surface layers of VT6 titanium alloy after femtosecond laser treatment

M.V. Zhidkov, N.A. Smirnov, J. Chen, S.I. Kudryashov, M.N. Yapryntsev

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 243-248

Journal section: Structure design and analysis

A feature of the bainitic structure formed upon slow continuous cooling of chromium-nickel-molybdenum steels containing 0.1-0.15% C is the complete absence of precipitates of the carbide phase. It has been shown that carbide-free bainite in such steels is a two-phase ferrite-austenitic structure and, at almost the same level of strength, has a higher level of toughness than steel with bainite containing carbide precipitates.

Carbide-free-bainite in low carbon construction steels

A.Y. Kaletin, J.V. Kaletina, M.A. Ryzhkov

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 249-253

Journal section: Structure design and analysis

When fluorinating 4-6-12 graphene layers two stable polymorphic varieties of fluorographene layers T1- or T3-type can be formed

Structure and electronic properties of 4-6-12 graphene layers functionalized by fluorine

M.B. Belenkov, V.M. Chernov

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 254-259

Journal section: Theory and computer simulations in materials science and condensed matter physics

It is shown that the collective effects of the influence of the presence of thin magnetic
layers (with a reduced value of the magnetic anisotropy constant) in
a five-layer ferromagnet on the dynamics of domain walls is preserved at
the action of an external magnetic field, whereas when a DW moves along
inertia almost completely disappear. Chart of possible
scenarios of DW dynamics depending on its initial velocity and
the distance between two thin layers.

The effect of dissipation and an external magnetic field on the resonance dynamics of a domain wall in a five-layer ferromagnetic structure

A.M. Gumerov, E.G. Ekomasov, R.V. Kudryavtsev, M.I. Fakhretdinov

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 260-265

Journal section: Theory and computer simulations in materials science and condensed matter physics

Model potential for evaluating the transparency coefficient during tunneling of an electron with energy E through the Coulomb barrier of the target electron (r0 ~ 10-15 m, r1 >> r0)

The role of the electronic current component in the formation of a quasi-molecular state leading to the synthesis of elements

M.P. Kashchenko, N.M. Kashchenko

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 266-271

Journal section: Theory and computer simulations in materials science and condensed matter physics

Dependence of magnetization magnetic field for films on temperature

Study of magnetic field influence on magnetization distribution in three-layer ferromagnetic-antiferromagnetic spin systems

S.V. Belim

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 272-276

Journal section: Theory and computer simulations in materials science and condensed matter physics

Algorithm for constructing full-atomic models of X- and T-shaped seamless junctions between single-walled carbon nanotubes

G.V. Savostyanov, D.S. Shmygin

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 277-282

Journal section: Theory and computer simulations in materials science and condensed matter physics

The Letter presents a detailed analysis of the isomerization and decomposition mechanisms of silabiprismanes. Their thermokinetic parameters in the Arrhenius law are determined, and estimations of their lifetimes at various temperatures are given.

Ab initio modeling of dynamic stability of silicon prismanes

M.A. Gimaldinova, A.I. Kochaev, M.M. Maslov

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 283-287

Journal section: Theory and computer simulations in materials science and condensed matter physics

Change in surface morphology as a result of irradiation of the surface with UV radiation

Study of the effect of photooxidative processes on the surface morphology and physico-mechanical characteristics of biodegradable materials based on secondary polypropylene and chalk additives

R.B. Salikhov, M.V. Bazunova, T.R. Salikhov, A.A. Bazunova, V.P. Zakharov

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 288-293

Journal section: Mechanical and physical properties of materials

Relative intensities of UV-Vis spectra of silicon biprismanes strongly depend on doping. In particular, doping with methyl radicals and fluorine atoms provides prevalent adsorption intensities of octagonal and hexagonal biprismanes, respectively.

The effect of doping on the electronic structure and optical properties of silicon biprismanes: DFT and TD-DFT studies

M. Salem, M.A. Gimaldinova, A.I. Kochaev, M.M. Maslov

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 294-298

Journal section: Theory and computer simulations in materials science and condensed matter physics

The formation of free volume in grain boundaries and triple junctions during crystallization using nickel as an example is studied by the molecular dynamics method

Modeling the formation of free volume at grain boundaries and triple junctions during nickel crystallization

G.M. Poletaev, D.V. Novoselova, R.Y. Rakitin, A.S. Semenov

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 299-302

Journal section: Theory and computer simulations in materials science and condensed matter physics

$The fracture surface consisting of two parts featuring by low-temperature cleavage and hydrogen-assisted quasi-cleavage facets has been obtained. It is shown that the average misorientation angle of quasi-cleavage facets is 1.5 times lower than that of the cleavage ones.$

Quantitative comparison of cleavage and quasi-cleavage fracture surfaces in hydrogen embrittled low-carbon steel

E.D. Merson, V.A. Poluyanov, P.N. Myagkikh, D.L. Merson, A.Y. Vinogradov

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 303-308

Journal section: Mechanical and physical properties of materials

The figure shows the true stresses versus the true strains of the Zr-1% Nb alloy under tension at high strain rates. The inhomogeneous fields of equivalent strains obtained by computer simulation of high velocity tension of specimens have good agreement with experimental data.

Mechanical behavior of the Zr-1%Nb alloy at high strain rates and stress triaxiality from 0.33 to 0.5

N.V. Skripnyak, M.O. Chirkov

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 309-314

Journal section: Mechanical and physical properties of materials

Dependences of the eddy current device readings α at different frequencies on the number of loading cycles N, measured within contact spots after contact fatigue tests of the cobalt-nickel-chromium PG-10K-01 coating

Features of eddy-current testing of the fatigue degradation of laser clad cobalt-nickel-chromium coating under contact loading

R.A. Savrai, L.K. Kogan, A.V. Makarov, N.N. Soboleva

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 315-321

Journal section: Experimental methods in materials research

Adding an intermediate layer between the surfaces to be welded provides better quality of ultrasonic welding.

Strength of copper joints obtained by ultrasonic welding using copper intermediate layers in different structure states

N.Y. Parkhimovich, N.R. Yusupova, A.A. Nazarov

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 322-327

Journal section: Materials processing and applications

A stress-strain state computer simulation of samples imitating bimetallic «disk-shaft» type parts for a gas turbine engine from dissimilar heat-resistant nickel-based superalloys during pressure welding with a shear was carried out. Two shaft motion schemes were considered: the shaft into the disk introduction, and the combination of the introduction and rotation of the shaft. It has been established that to obtain solid phase joint between the shaft and the disk, it is preferred to use pressure welding when the introduction and rotation of the shaft.

Computer simulation of pressure welding with a shear of samples from dissimilar nickel-based superalloys

A.K. Akhunova, V.A. Valitov, E.V. Galieva

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 328-333

Journal section: Theory and computer simulations in materials science and condensed matter physics

Percolation effects are considered in the model of a one-dimensional Ising magnet of finite nanometer size with boundary conditions - dangling ends.

Percolation effects in quasi-one-dimensional Ising ragged magnet

D.V. Spirin, V.N. Udodov

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 334-339

Journal section: Theory and computer simulations in materials science and condensed matter physics

$The summary energy expenditures for deformation of specimens of pipe steel of strength class X80 were determined basing on experimentally measured geometry of the 3D images of fractured specimens.$

Evaluation of energy parameters of fracture during drop weight tear tests based on the analysis of the geometry of the specimens

D.E. Kaputkin, L.M. Kaputkina, A.I. Abakumov, T.S. Esiev

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 340-344

Journal section: Mechanical and physical properties of materials

Impact loading diagrams of layered samples

Features of manufactured and impact failure of a layered material based on Ti-6Al-4V alloy

A.A. Sarkeeva

PDF Article

Year: 2020

Volume: 10 Issue: 3

Pages: 345-350

Journal section: Mechanical and physical properties of materials

Pressure-strain curves for Ni-graphene systems under hydrostatic tension at 0 K and corresponding snapshots of composite at different strain. Ni atoms are shown by blue and C atoms are shown by red.

Simulation of metal-graphene composites by molecular dynamics: a review

L.R. Safina, J.A. Baimova, K.A. Krylova, R.T. Murzaev, R.R. Mulyukov

PDF Review

Year: 2020

Volume: 10 Issue: 3

Pages: 351-360

Journal section: Theory and computer simulations in materials science and condensed matter physics

Current issue

About the temperature of polymorphic phase transformation of austenite into ferrite of 12% chromium steel

Structural-phase state of near-surface layers of VT6 titanium alloy after femtosecond laser treatment

Carbide-free-bainite in low carbon construction steels

Structure and electronic properties of 4-6-12 graphene layers functionalized by fluorine

The effect of dissipation and an external magnetic field on the resonance dynamics of a domain wall in a five-layer ferromagnetic structure

The role of the electronic current component in the formation of a quasi-molecular state leading to the synthesis of elements

Study of magnetic field influence on magnetization distribution in three-layer ferromagnetic-antiferromagnetic spin systems

Algorithm for constructing full-atomic models of X- and T-shaped seamless junctions between single-walled carbon nanotubes

Ab initio modeling of dynamic stability of silicon prismanes

Study of the effect of photooxidative processes on the surface morphology and physico-mechanical characteristics of biodegradable materials based on secondary polypropylene and chalk additives

The effect of doping on the electronic structure and optical properties of silicon biprismanes: DFT and TD-DFT studies

Modeling the formation of free volume at grain boundaries and triple junctions during nickel crystallization

Quantitative comparison of cleavage and quasi-cleavage fracture surfaces in hydrogen embrittled low-carbon steel

Mechanical behavior of the Zr-1%Nb alloy at high strain rates and stress triaxiality from 0.33 to 0.5

Features of eddy-current testing of the fatigue degradation of laser clad cobalt-nickel-chromium coating under contact loading

Strength of copper joints obtained by ultrasonic welding using copper intermediate layers in different structure states

Computer simulation of pressure welding with a shear of samples from dissimilar nickel-based superalloys

Percolation effects in quasi-one-dimensional Ising ragged magnet

Evaluation of energy parameters of fracture during drop weight tear tests based on the analysis of the geometry of the specimens

Features of manufactured and impact failure of a layered material based on Ti-6Al-4V alloy

Simulation of metal-graphene composites by molecular dynamics: a review

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