Volume 7, Issue 4, December 2017

Fourth regular issue in 2017

Simple approximate expression for the displacement field in harmonic triangular lattice under imposed volumetric mean strain is derived.

An asymptotic formula for displacement field in triangular lattice with vacancy

V. Tsaplin, V. Kuzkin

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 341-344

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

A superconducting multifilament wire made of Nb-Ti alloy was investigated by methods of atom probe/field ion microscopy, three-dimensional atom probe, high resolution electron microscopy (HREM) and computer simulation. Figure shows a HREM micrograph of the coherent interphase boundary with an ideal conjugation of atomic planes of adjacent grains.

Microstructure of NbTi superconducting alloy

M. Lazareva, A. Mazilov, V. Ksenofontov, T. Mazilova, J. Gordienko, O. Dudka, I. Mikhailovskij

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 345-349

The new type of core-shell structures of antimony ranging from 10-4 to 10-6 m, obtained in a single-stage process as a result of spontaneous crystallization of the melt at average cooling rates of the melt are 1 – 100 K/second. The structures consist of different forms of the same substance, whereas the core is represented by the mono-crystalline gray antimony and the shell is a deformed two-dimensional film.

Structural heterogeneities and electronic effects in self-organized core-shell type structures of Sb

T.V. Kulikova, L.A. Bityutskaya, A.V. Tuchin, E.V. Lisov, S.I. Nesterov, A.A. Averin, B.L. Agapov

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 350-354

Journal section: Structure design and analysis

Poisson’s ratio dependence on longitudinal deformations for four two-dimensional auxetic cellular samples.

Experimental study of defects influence on auxetic behavior of cellular structure with curvilinear elements

R. Goldstein, D. Lisovenko, A. Chentsov, S. Lavrentyev

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 355-358

Journal section: Mechanical and physical properties of materials

Scanning electron microscopy was used to study the behavior during annealing of iron, in which an ultrafine structure of two different types was created by deformation under high pressure: cellular and submicrocrystalline. The figure shows orientational maps (EBSD) of iron with different initial type of structure after annealing at 750 ° C, 1h.

Effect of microcrystallites formed by deformation on the growth and orientation of grains during recrystallization of iron

L. Voronova, M. Degtyarev, T. Chashchukhina, D. Shinyavskii, T. Gapontseva

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 359-362

Journal section: Structure design and analysis

Twin-oriented bands up to 20 m in width appear near grain boundaries of coarse-grained aluminum during single pass of dynamic channel angular pressing. Analysis of their deviations from the ideal twin misorientation showed that they could be formed both at an early and at a later stage of deformation.

Twinning in polycrystalline aluminium deformed by dynamic channel angular pressing

N. Zolotorevsky, V. Rybin, E. Ushanova, I. Brodova, A. Petrova, N. Ermakova

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 363-366

Journal section: Structure design and analysis

In this paper, we study some low-dimensional bushes of nonlinear normal modes in graphene using ab initio calculations based on the density functional theory. The amplitude-frequency dependencies of one-dimensional bushes are found. The excitation transfer between nonlinear vibrational modes of different symmetry that belong to the same bush is investigated.

Large-amplitude in-plane atomic vibrations in strained graphene monolayer: bushes of nonlinear normal modes

G. Chechin, D. Ryabov, S. Shcherbinin

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 367-372

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

The movement of oxygen ions in the Al melts under action of a constant electric field is studied by molecular dynamics. The speed and intensity of oxygen ions movement across the melts depends on their concentration.

Computer modeling of oxygen migration accompanying aluminum production

A. Galashev, O. Rakhmanova

PDF editorial's selection Article

Year: 2017

Volume: 7 Issue: 4

Pages: 373-379

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

Scheme of the reactor: 1 – the discharge area; 2 – upper tubular electrode; 3 – lower tubular electrode; 4 – the reactor vessel; 5 – solenoid (the inductor); 6 – pulse electrodes, arrows indicate the direction of water flow

On the extreme variants of nuclear fusion realization

M. Kashchenko, V. Balakirev

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 380-383

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

Geometry of the surface-stabilized FLC cell.

Observation of macro-heterogeneities in surface-stabilized smectic C* with antagonistically patterned substrates

A.A. Kudreyko, W. Song, D.N. Migranova

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 384-387

Journal section: Experimental methods in materials research

The dynamics of the system of finite size particles with the rotating central particle calculated on the basis of different models.

Modeling of static deformations and dynamics of localized rotation in a chain of finite size particles

A.A. Vasiliev, A.E. Miroshichenko

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 388-392

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

The electric properties of Bi5Nb3O15 bismuth niobate polycrystalline samples and chromium-containing solid solutions Bi5Nb3-3хCr3хO15-δ (х≤0.08) were studied using impedance spectroscopy.On the grounds of the performed researches the conclusion about the electron-ionic character of conductivity of solid solutions Bi5Nb3-3хCr3хO15-δ was made.

ELECTRICAL PROPERTIES OF Bi5Nb3-3xCr3xO15-δ CHARACTERIZED BY IMPEDANCE SPECTROSCOPY

N.A. Sekushin, N.A. Zhuk, E.A. Belyaeva, V.A. Belyj, V.E. Grass, M.V. Ermolina

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 393-397

Journal section: Experimental methods in materials research

$Bulk ceramic materials based on B4C–ZrB2 systems have been produced by means of pressure-assisted self-propagating high temperature synthesis (SHS) using a mixture of elementary powders B, C and Zr. The influence of reaction mixture composition on microstructure formation and physical and mechanical characteristics of SHS composites have been studied by X-ray diffraction and microstructural analysis.$

Synthesis and Characteristics of the B4C–ZrB2 Composites

V.A. Shcherbakov, A.N. Gryadunov, M.I. Alymov

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 398-401

Journal section: Structure design and analysis

The study of the iron-containing Bi5Nb3O15 solid solutions has shown that, in the solid solutions iron (III) atoms aggregate with antiferromagnetic and ferromagnetic types of exchange.

Magnetic Behavior of Bi5Nb3-3xFe3xO15-δ Solid Solutions

N.A. Zhuk, N.V. Chezhina, V.A. Belyy, B.A. Makeev, L.V. Rychkova

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 402-406

Journal section: Experimental methods in materials research

$Solving of vital problems in development of modern aerospace equipment, power engineering, creation of ion-plasma technologies for processing new products and materials, the development of nuclear power reactors of the fourth generation requires to manufacture structural elements made of materials able to be operated in the temperature range from 1600 to 2200 K. The paper proposes a model for predicting the mechanical properties of high-temperature ceramic composites and extend the understanding the mechanisms of fracture at high temperatures in conditions of intensive dynamic effects.$

Predicting the mechanical properties of UHTC

V.A. Skripnyak, V.V. Skripnyak

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 407-411

Journal section: Mechanical and physical properties of materials

According to molecular dynamics simulations the silicon alloying the tetrahegonal distortion of steel martensite.

Silicon impact on carbon ordering at the martensite lattice: molecular dynamics simulations

P.V. Chirkov, A.A. Mirzoev, D.A. Mirzaev

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 412-415

Growth of seeds grains in superconducting ceramics Y123. The seed grown zone contains high density of low-angle boundaries and captured pores.

Microstructure of superconducting ceramics YBa2Cu3O7-x sintered with addition of seed grains

M.F. Imayev, D.B. Kabirova, R.R. Yakshibayeva

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 416-420

Journal section: Structure design and analysis

$The influence of the microstructure, its heterogeneity, grain size and distribution of secondary phases on the corrosion rate is demonstrated. The microstructure refinement by the severe plastic deformation leading to the increasing fraction of grain boundaries, promotes the formation of a reasonably uniform protective layer, reduces the inhomogeneity of the second phases and increases the overall corrosion resistance of the ZK60 alloy.$

On the corrosion of ZK60 magnesium alloy after severe plastic deformation

D. Merson, E. Vasilev, M. Markushev, A. Vinogradov

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 421-427

Grain boundary (GB) segregation of Co has the positive effect on both plasticity and strength of nanocrystalline (NC) Al, while Ti atoms in GBs improve only its ductility. Cracking of NC Al and its alloys with GB segregation of Fe or Mg occurs through the formation of nano-voids at GBs followed by their coalescence at higher stresses.

Plastic and fracture behaviour of nanocrystalline binary Al alloys with grain boundary segregation

R. Babicheva, S. Dmitriev, V. Stolyarov, K. Zhou

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 428-432

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

The values of binding energies of carbon nanostructures with the nonconventional geometry of framework calculated using the density functional theory can substantially differ from each other depending on the chosen DFT-functional.

Effect of DFT-functional on the energy and electronic characteristics of carbon compounds with the unconventional geometry of the framework

N. Novikov, M. Maslov, K. Katin, V. Prudkovskiy

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 433-436

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

Many questions remain open in the understanding the role of microstructural factors in the acoustic emission (AE) phenomenon occurring in deforming materials. A comparative analysis of AE time parameters in tensile testing of pure aluminum, copper, silver and nickel specimens having very different values of stacking fault energy (SFE) was undertaken in the present work to clarify the SFE effect on the AE signal. Continuous digital wideband recording was used for AE waveform registration, which offers the possibility to avoid the threshold discriminators and to analyze a continuous AE signal generated during plastic deformation mediated by dislocation mechanisms. The power of the AE signal were selected as the descriptive parameters. Following the evolution of dislocation structures, the AE energy parameters were demonstrated to have a similar behavior in all investigated materials, i.e. the AE level increases sharply at the onset of plastic flow and then decays gradually during the uniform strain hardening stage. However, the absolute values of the AE amplitude and energy differ significantly depending on SFE. It was shown unambiguously that in contrast to expectations, the AE energy parameters reduce as the SFE value increases. This effect is discussed qualitatively in terms of the features of dislocation behavior, which are governed by the SFE value.

The effect of stacking fault energy on acoustic emission in pure metals with face-centered crystal lattice

A. Danyuk, D. Merson, I. Yasnikov, E. Agletdinov, M. Afanasyev, A. Vinogradov

PDF editorial's selection Article

Year: 2017

Volume: 7 Issue: 4

Pages: 437-441

Journal section: Experimental methods in materials research

Martensitic transformation is investigated in two-dimensional molecular dynamics model. Dislocations affect the direct martensitic transformation as the nucleation centers.

Molecular dynamics simulation of the effect of dislocations on the martensitic transformations in a two-dimensional model

S. Dmitriev, M. Kashchenko, J. Baimova, R. Babicheva, D. Gunderov, V. Pushin

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 442-446

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

$Effects of severe plastic deformation by isothermal сryorolling at a temperature of liquid nitrogen with a strain of e~2 and subsequent natural and artificial aging on the evolution of structure, hardness and resistance to intergranular corrosion (IGC) of the preliminary quenched D16 aluminum alloys of conventional and Zr modified compositions, were investigated. It was concluded that the main factors, determining the alloy microstructure changes, mechanical and corrosion behavior, are the volume fraction and morphology, and spatial distribution of second phases - excess phases and precipitates.$

Influence of Zr on intergranular corrosion of cast and cryorolled D16 aluminum alloy

M. Markushev, S. Krymskiy, R. Ilyasov, E. Avtokratova, A. Khazgalieva, O. Sitdikov

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 447-451

Journal section: Mechanical and physical properties of materials

The set of points of strength surface in the space of principal stresses is determined for 2D case. The approximation of this set of points permits one to obtain the strength criterion in the analytical form.

An approach to the computation of effective strength characteristics of porous materials

V.A. Levin, I.I. Vdodichenko, A.V. Vershinin, M.Y. Yakovlev, K.M. Zingerman

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 452-454

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

A model for elastic bonds in solids, composed of bonded particles is presented. The model may serve for description of elastic deformation of rocks, ceramics, concrete, nanocomposites, aerogels and other materials with structural elements interacting via forces and torques.

Enhanced vector-based model for elastic bonds in solids

V.A. Kuzkin, A.M. Krivtsov

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 455-458

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

Typical TEM structures of pre-quenched 1420-type alloys after HPT (RT, 4 revolutions, P=6GPa) and further annealing

Effect of initial condition on nanostructuring and strengthening of age-hardenable aluminum alloys under severe plastic deformation (Review)

M. Markushev, E. Avtokratova, O. Sitdikov

PDF editorial's selection Review

Year: 2017

Volume: 7 Issue: 4

Pages: 459-464

Journal section: Structure design and analysis

Shock-wave loading of reactive materials by throwing a flyer

Investigation of shock-wave initiation in metal-teflon powder mixtures

I.V. Saikov, M.I. Alymov, S.G. Vadchenko, I.D. Kovalev

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 465-468

Journal section: Experimental methods in materials research

Combined SPD method including multiple abc-pressing and multi-pass rolling resulted in the formation of two-phase ultrafine-grained binary Zr-1Nb alloy structure, where the average alloy structural elements size was 0.22 µm. Ultrafine-grained alloy included high level of mechanical properties (yield strength – 450 MPa, ultimate tensile strength – 780 MPa, microhardness – 2800 MPa) at low elastic modulus (51 GPa).

Structure, Phase Composition and Mechanical Properties of Bioinert Zirconium-Based Alloy after Severe Plastic Deformation

A.Y. Eroshenko, A.M. Mairambekova, .P. Sharkeev, .G. Kovalevskaya, M.A. Khimich, P.V. Uvarkin

PDF Article

Year: 2017

Volume: 7 Issue: 4

Pages: 469-472

Journal section: Materials processing and applications

Volume 7, Issue 4, December 2017

An asymptotic formula for displacement field in triangular lattice with vacancy

Microstructure of NbTi superconducting alloy

Structural heterogeneities and electronic effects in self-organized core-shell type structures of Sb

Experimental study of defects influence on auxetic behavior of cellular structure with curvilinear elements

Effect of microcrystallites formed by deformation on the growth and orientation of grains during recrystallization of iron

Twinning in polycrystalline aluminium deformed by dynamic channel angular pressing

Large-amplitude in-plane atomic vibrations in strained graphene monolayer: bushes of nonlinear normal modes

Computer modeling of oxygen migration accompanying aluminum production

On the extreme variants of nuclear fusion realization

Observation of macro-heterogeneities in surface-stabilized smectic C* with antagonistically patterned substrates

Modeling of static deformations and dynamics of localized rotation in a chain of finite size particles

ELECTRICAL PROPERTIES OF Bi5Nb3-3xCr3xO15-δ CHARACTERIZED BY IMPEDANCE SPECTROSCOPY

Synthesis and Characteristics of the B4C–ZrB2 Composites

Magnetic Behavior of Bi5Nb3-3xFe3xO15-δ Solid Solutions

Predicting the mechanical properties of UHTC

Silicon impact on carbon ordering at the martensite lattice: molecular dynamics simulations

Microstructure of superconducting ceramics YBa2Cu3O7-x sintered with addition of seed grains

On the corrosion of ZK60 magnesium alloy after severe plastic deformation

Plastic and fracture behaviour of nanocrystalline binary Al alloys with grain boundary segregation

Effect of DFT-functional on the energy and electronic characteristics of carbon compounds with the unconventional geometry of the framework

The effect of stacking fault energy on acoustic emission in pure metals with face-centered crystal lattice

Molecular dynamics simulation of the effect of dislocations on the martensitic transformations in a two-dimensional model

Influence of Zr on intergranular corrosion of cast and cryorolled D16 aluminum alloy

An approach to the computation of effective strength characteristics of porous materials

Enhanced vector-based model for elastic bonds in solids

Effect of initial condition on nanostructuring and strengthening of age-hardenable aluminum alloys under severe plastic deformation (Review)

Investigation of shock-wave initiation in metal-teflon powder mixtures

Structure, Phase Composition and Mechanical Properties of Bioinert Zirconium-Based Alloy after Severe Plastic Deformation

General information

Information for readers

Information for authors

Information for reviewers