Laboratory of Computer-Aided Design of Materials

Current areas of research and development

Brief historical background about the unit

The Laboratory of Computer-Aided Design of Materials (LCCM) was formed on April 20, 1998 on the basis of the automation laboratory created by order of the Institute on December 9, 1985. Initially, the LKKM staff consisted of 10 people. Currently, the Laboratory staff consists of 20 people, of which 9 are doctors of science. Throughout the entire time, the head of the Laboratory has been Corresponding Member of the RAS S.G. Psakhye.

In the Laboratory of Computer-Aided Material Design, for more than 30 years, based on discrete and combined discrete-continuum approaches, the properties and behavior of materials at various scale levels under external influences have been successfully studied..

Thus, as part of a major agreement with the Ministry of Education and Science of the Russian Federation, computer studies of the behavior of gases in nanoporous materials were carried out. The results of these studies are necessary for the development of a new generation of highly sensitive gas sensors, which will be used to detect ultra-low concentrations of various compounds when analyzing the chemical composition of substances, as well as for early diagnosis of dangerous diseases by analyzing the patient’s exhaled air. Over the past years, the laboratory has successfully fulfilled government tasks. Rosatom Corporation on modeling the primary radiation damage of metals and alloys during irradiation, which is an important stage in the development of new generation structural materials for nuclear energy.

About twenty years ago, the laboratory developed a new method for computer modeling of the deformation behavior of materials on various spatial scales (from the grain size of polycrystals to the geological one), which is based on the assumption of the discreteness of the internal structure of the material - the method of moving cellular automata (MCA). This method is a combination and further development of two well-known methods: the particle method and the cellular automata method. The use of this method made it possible to obtain a number of important scientific results of great practical importance. Among them, we can note a multi-level computer study of the influence of the structural features of porous ceramic materials on their mechanical properties and fracture mode. The need for such research is due to the high demand for ceramic materials in leading sectors of the economy, in particular in medicine as a variety of new generation biocompatible implants.

The use of numerical methods of a discrete approach made it possible to identify fundamentally important features of the behavior of materials under dynamic influences. In particular, it has been established that under such conditions, collective elastic movements of the rotational type, called elastic vortices, arise in solids. The key feature of elastic vortices is high shear stresses, as a result of which a moving elastic vortex in a solid body is capable of initiating plastic deformations or crack growth at various spatial scales from the atomic to the scale of sections of fault zones in the earth's crust. The relevance of research in this direction is due to the prospects for using the obtained patterns in solving a set of problems of controlling the dynamic mechanical properties of promising materials.

The high competence of the laboratory team in the field of multi-level modeling and successful experience of scientific and technical cooperation with Russian and foreign scientific centers and R&D departments of large concerns made it possible to develop a number of specialized software products for scientific and engineering purposes. Key among them are:

- engineering software package "MCA Friction Test" for studying friction and wear processes in tribo-joints made of composite materials with multi-scale reinforcement (joint development with the automotive division of the BOSCH concern);

- a software package for multi-level discrete-continuous dynamic modeling of processes of deformation and destruction of materials and virtual testing of structural elements (joint development with the leading domestic company developing engineering software products Fidesys).

Areas of research, directions of fundamental research

1. Multi-level approach to describing and modeling deformation and fracture of materials and media of various natures.

2. Development of the particle method for studying the patterns of deformation and destruction of materials and media at different scales from atomic to macroscopic.

3. Development of discrete-continuous methods for modeling coupled processes of deformation and mass transfer in multi-level permeable fluid-saturated materials with complex rheological properties.

3. Study by computer modeling methods on various scales of the mechanical response of condensed matter under contact interaction conditions (friction, indentation, nanotribology).

4. Modeling of technological processes for processing and synthesis of new materials (including additive technologies).

5. Nonequilibrium thermodynamics, construction and study of mechanics models for complex media.

6. Study of primary radiation damage in metals and alloys.

Problems solved within these areas

1. Development of a new method of computer modeling of materials based on a discrete approach - the method of moving cellular automata (MCA).

2. Creation of new dynamic models of inelastic mechanical behavior (including fracture) of materials with a multi-level structure and development of an approach to their implementation within the framework of particle computational methods.

3. Theoretical study of deformation and fracture of complex heterogeneous materials and media under mechanical loading based on the MCA method.

4. Study of the influence of the structural features of the porous space of brittle porous media on their deformation and strength properties.

5. Study of contact interaction of solids (friction, indentation, nanotribology) using computer modeling methods.

6. Numerical study of the problems of biomechanical compatibility of endoprostheses of the human musculoskeletal system.

7. Determination by computer modeling methods of control parameters associated with the physical and mechanical properties of interacting materials and system loading conditions that provide various friction modes.

8. Bionic computer design of the internal structure of the surface layers of metal-ceramic composites, aimed at achieving the required values ​​of a complex of mechanical and tribological characteristics.

9. Construction of models of complex media using nonequilibrium thermodynamics methods.

10. Modeling of wave and diffusion-controlled processes in solid media containing internal interfaces based on coupled thermoelastic diffusion models.

11. Modeling of synthesis and surface treatment processes involving exothermic chemical reactions (synthesis by combustion), taking into account stresses and deformations arising in the reaction zone.

12. Computer study of physicochemical phenomena under nonequilibrium conditions of surface processing of materials by flows of ions, electrons, plasma, and laser radiation.

13. Computer modeling of technological processes of welding, surfacing cutting, taking into account accompanying physical and chemical phenomena to determine optimal technological parameters.

14. Modeling the creation of new materials and three-dimensional objects in combined technologies, including additive shaping technologies, taking into account shrinkage and physical and chemical stages.

15. Development of algorithms for the numerical study of related nonlinear problems of physical and chemical mechanics.

16. Development of models and algorithms for their numerical implementation to describe physical and chemical phenomena in natural and biological environments (combustion of gases, shale gas production, flow of biological fluids in porous biological objects, evolution of powdery media; chemical reactions in mixtures of powders with melting components).

17. Development of activated state models and their application to the description of the behavior of materials under external influences.

18. Modeling of primary radiation damage in metals and alloys.

19. Computer study of the fundamental laws of the onset of plasticity in metals and alloys under various types of mechanical loading.

Composition of the unit
Total number of 18 people, including:
7 - Doctors of Science,
8 - Candidates of Science,
5 - young researchers (up to 33 years old)

List of staff members

1. Shilko Evgeniy Viktorovich, head. laboratory, senior researcher, doctor of physical and mathematical sciences, shilko@ispms.ru

2. Zolnikov Konstantin Petrovich, chief researcher, doctor of physical and mathematical sciences, professor, kost@ispms.ru

3. Smolin Alexey Yurievich, chief researcher, doctor of physical and mathematical sciences, professor, asmolin@ispms.ru

4. Dmitriev Andrey Ivanovich, chief researcher, doctor of physical and mathematical sciences, associate professor, dmitr@ispms.ru

5. Grinyaev Yuri Vasilievich, senior researcher, doctor of physical and mathematical sciences, grn@ispms.ru

6. Naumov Ivan Ivanovich, senior researcher, doctor of physical and mathematical sciences.

7. Korostelev Sergey Yurievich, senior researcher, candidate of physical and mathematical sciences, sergeyk@ispms.ru

8. Dimaki Andrey Viktorovich, senior researcher, doctor of physical and mathematical sciences, dav@ispms.ru

9. Kryzhevich Dmitry Sergeevich, research scientist, kryzhev@ispms.ru

10. Korchuganov Alexander Vyacheslavovich, research scientist, avkor@ispms.ru

11. Nikonov Anton Yurievich, research scientist, a nickonoff@ispms.ru

12. Eremina Galina Maksimovna, research scientist, anikeeva@ispms.ru

13. Grigoriev Alexander Sergeevich, junior researcher, grigoriev@ispms.ru

14. Kostina Svetlana Ivanovna, engineer, kostina@ispms.ru

The most important scientific results

1. The onset of plastic deformation in crystalline materials during deformation begins with characteristic local structural changes (protodefects), the condensation of which leads to the formation of stacking faults, dislocations, microtwins and other “traditional” structural defects.

2. Numerical modeling on the atomic scale has established a possible reason for the manifestation of low-friction properties by polymer nanocomposites. It has been shown that a thin tribofilm formed under friction conditions on the surface of a composite of silicon dioxide particles in an amorphous state is capable of demonstrating low stress values ​​to resist relative slippage.

3. Within the framework of the continuum approach, a dynamic system of equations was obtained, which allows us to describe the deformation behavior of two-phase materials, one phase is solid, the second is liquid (viscous flow). Based on the obtained equations, the phenomenon of creep of such materials, as well as the dependence of the stress-strain diagrams on the loading rate, are analyzed.

6. The conditions for the formation and patterns of development of the fundamental mechanism of dynamic redistribution of elastic energy in solids - elastic vortices - are generalized. It has been shown that elastic vortices are capable of initiating local irreversible shear deformations (including local rotations of structural elements of the material) and/or shear-type cracks in highly stressed regions of the material. The concept of collective elastic vortex motion in a solid body (elastic vortex) is introduced as an independent dynamic rotational mechanism for the redistribution of elastic energy, deformation and destruction on various spatial scales from atomic to macroscopic.

7. For the first time, it was shown that the key mechanical characteristic that determines the conditions and dynamics of crack propagation in brittle materials is the time of initiation and unification of discontinuities at lower (compared to the crack scale) spatial scales. The nature of the connection between this dynamic material parameter and the structural features and static mechanical properties of the material has been established. A physically based criterion for dividing the spectrum of spatial dimensions in a solid into scale/structural levels is proposed.

8. The features of structure formation of a two-component plasma crystal were studied. It is shown that a system of spherical charged particles of two types located in plasma tends to form a shell structure. Each shell contains particles of the same type. The behavior of the plasma-dust system under weightlessness and laboratory conditions has been studied.

9. The features of primary radiation damage of semicrystalline materials have been studied. It has been shown that grain boundaries accumulate a significant fraction of radiation defects in their region and prevent the propagation of cascades of atomic displacements.

10. The stability of the exothermic reaction front to small one-dimensional and two-dimensional disturbances under conditions of uniaxial deformation, plane stress state and plane deformed state was studied. It has been shown that there are conditions when the high-speed mode (solid-phase detonation) is more stable than the low-speed mode (slow combustion).

11. Original models of selective laser sintering of a two-component alloy are proposed taking into account the evolution of porosity, changes in optical properties with porosity and the presence of a range of melting temperatures and electron beam alloying for pure metals and powder mixtures that form intermetallic phases taking into account shrinkage. An important difference in thermal cycles when creating materials in these technologies has been demonstrated. It was discovered that physical and chemical phenomena in additive technologies cannot be judged by the description of a quasi-stationary regime in the melt pool and the heat-affected zone, as is done by analogy with welding in most well-known publications.

12. A model of direct electron beam deposition of metal is proposed, taking into account the evolution of porosity, layer thickness (which leads to the formation of a complex surface topography), and the dependence of properties on porosity. It is shown that the presence of competing phenomena leads to an ambiguous dependence of the operating temperature on process parameters.

13. Within the framework of the model of pulsed beam electron beam treatment of the surface of titanium nickelide with a silicon coating, the predominant formation of new phases is observed on the substrate side. There is also an extremum in the concentration distribution of the ternary solution. In the case of a coating with tantalum, the predominant formation of new phases is observed in the coating area. This is explained by different diffusion mobility of the elements. In any case, oxide phases are formed, which is due to the presence of residual oxygen.

14. A model for the formation of a three-layer composite under conditions of quasi-static loading is proposed, taking into account the conjugate heat exchange with the reactor walls and the plunger, the change in dimensions associated with compaction, and the flow of the substance (powder). A computational algorithm has been developed that makes it possible to study the process in dynamics. A model of the behavior of a powder composition with a melting component under synthesis conditions under load is proposed, taking into account the dependence of properties on porosity, which changes during melting and loading.

15. A two-phase model of underground decomposition of shale under the influence of a high-frequency electric field is proposed, taking into account the stages of decomposition, changes in the heating mechanism with temperature and with the accumulation of the decomposition product, as well as the influence of the pressure of the products in the pores on fluid flow and mass transfer.

Developments

1. An original technique for multi-level computer modeling has been developed, which makes it possible to numerically study the mechanical behavior of multi-component nano-structures at various scales, while remaining within the framework of the unified formalism of the particle method.

2. A computer model of the local contact patch of a tribounit has been developed by using a multi-scale implementation of the particle method.

3. At the request of the automotive division of the BOSCH concern, the "MCA Friction Test" software package was created for computer modeling by the particle method and analysis of friction and wear processes in tribological interfaces made of composite materials with multi-scale reinforcement. The developed complex allows for simulation in multi-threaded mode, including on high-performance cluster systems.

4. Together with the leading domestic developer of engineering software products Fidesys, a software package is being developed for multi-level discrete-continuum dynamic modeling using the particle method of the behavior of tribological interfaces and virtual testing of elements of complex structures.

Projects, grants, contracts

1. RSF grant No. 18-19-00589 “Development of physical principles for the design of wear-resistant multilayer coatings based on transition metal nitrides using multi-level computer models and their experimental validation” (2018-2020, leader A.I. Dmitriev)

2. Federal Targeted Program project “Research and development in priority areas of development of the scientific and technological complex of Russia for 2014-2020” Agreement dated September 26, 2017 No. 14.607.21.0186 “Development and validation of a software package for multi-level computer modeling by the particle method of the behavior of tribo-interface units in structural elements on a metal and ceramic base with nanostructured surface layers and coatings" (2017-2018. Head - Dmitriev A.I.).

3. RFBR grant No. 18-38-00323 “Study of wear mechanisms of strengthening nanostructured coatings in the friction pair of a hip joint endoprosthesis and its effect on the mechanical behavior of the bone-endoprosthesis system based on multi-level modeling” (2018-2019, leader Eremina G M.)

4. RSF grant No. 17-19-01425 “Study of the physical principles of the synthesis of composite powders based on titanium and its alloys for modification and molding of parts used in the aerospace industry by electron beam fusion” (2017-2019, head - Knyazeva A.G. .).

5. RSF grant No. 17-11-01232 “Nonlinear patterns of mechanical response of contrasting heterogeneous materials due to the dynamics of redistribution of “soft matter”” (2017-2019, supervisor - E.V. Shilko).

6. RFBR grant No. 16-08-00120 “Study of primary radiation damage and creep of an iron-chromium alloy based on a molecular dynamics approach” (2016-2018, director - Zolnikov K.P.)

7. RFBR grant No. 17-308-50026 “Study of the characteristics of primary radiation damage and atomic mechanisms of swelling in the V-4Ti alloy” (2017-2018, leader K.P. Zolnikov)

8. RFBR grant No. 16-01-00603 “Study of the interaction of concentration and mechanical waves under conditions of electron beam exposure” (2016-2018, leader - Knyazeva A.G.)

9. RFBR grant No. 15-01-06585 “Study of the formation of multicomponent nanoparticles with a cluster structure synthesized by high-energy pulsed dispersion.” (2015-2017, head - Psakhye S.G.).

10. Scientific research program of the Presidium of the Russian Academy of Sciences No. 13 “Thermophysics of high energy densities”. Project No. 1.13.1 “Structural-phase rearrangements in the near-surface layer of metals when exposed to high-energy flows.” (2016-2017, head - Psakhye S.G.).

11. RFBR grant No. 14-08-91330 “Study of the influence of nano-fillers in tribofilms to reduce the wear of polymer-based composites” (2014-2017, leader A.I. Dmitriev)

12. Project Federal Target Program “Research and development in priority areas of development of the scientific and technological complex of Russia for 2014-2020” Agreement dated November 11, 2015 No. 14.613.21.0049 “Solving the problem of nanostructuring a high-hard ceramic phase in the surface layers of metal-ceramic materials intended for work under conditions of extreme thermomechanical loads, based on computer design” (2015-2016. Head - Shilko E.V.).

13. Federal target program. Subcontract between the Ministry of Education and Science of the Russian Federation and NI TPU. Project: “Development of technology for producing nanoporous materials for analyzing the properties of gases in the energy sector, chemical industry and medicine.” (2014-2016, head - Zolnikov K.P.).

14. RSF grant No. 14-19-00718 “Vortex mechanism of deformation and fracture in nanomaterials at various scale levels” (2014-2016, leader - E.V. Shilko).

15. RFBR grant No. 13-01-00444 “Inelastic effects during the interaction of diffusion in the volume and along grain boundaries in non-hydrostatically loaded materials” (2013-2015, leader - Knyazeva A.G.)

16. Program of fundamental research of the Presidium of the Russian Academy of Sciences No. 2 “Matter at high energy densities”. Project No. 3 “Dynamics of structural transformations in plasma-dust systems when changing the configuration and magnitude of the confining field” (2013 -2014, leader S.G. Psakhye).

17. Fundamental Research Program of the Presidium of the Russian Academy of Sciences No. 24 “Fundamental foundations of the technology of nanostructures and nanomaterials.” Project No. 21 “Development of scientific foundations for the synthesis of composite nanoparticles during high-energy pulsed heating of metals” (2013 - 2014, leader - Psakhye S.G.).

18. State contract No. N.4x.44.90.13.1082 between the State Corporation Rosatom and JSC VNIINM. Project: “Theoretical and modeling studies of various types of defects (deformation, thermal and radiation) and their influence on the microstructure and properties of bcc metals. Studies of the effect of irradiation on defect formation, microstructure and properties of bcc metals.” (2013-2015, head - Psakhye S.G.).

Major publications

1. Shilko EV, Dimaki AV, Psakhie SG Strength of shear bands in fluid-saturated rocks: a nonlinear effect of competition between dilation and fluid flow // Scientific Reports. - 2018. - V.8 - P. 1428.

2. Dimaki AV, Shilko EV, Popov VL, Psakhie SG Simulation of fracture using a mesh-dependent fracture criterion in a discrete element method // Facta Universitatis: Mechanical Engineering. - 2018. - V.16. - No.1. - P.41-50.

3. Dmitriev A.I., Nikonov A.Yu., Г–sterle W. Molecular dynamics sliding simulations of amorphous Ni, Ni-P and nanocrystalline Ni films // Computational Materials Science.- 2017.- Vol. 129.- P. 231-238.

4. Kryukova ON, Knyazeva AG, Pogrebenkov VM, Kostikov KS, Sevostianov I. Effective thermal expansion coefficient of a sintered glass-eucryptite composite // Journal of Materials Science. 2017.- V. 52. - No. 19. 11314-11325. - DOI 10.1007/s10853-017-1298-9

5. Knyazeva AG, Kushch VI, Remnev GE, Ezhov VV, Smolyanskiy EA TiN coating effect on the elastoplastic behavior of Ti film for electron beam exit window // Vacuum. 2017.- V. 143. - P. 356-362 https://www.sciencedirect.com/science/article/pii/S0042207X1730862X

6. Nazarenko NN, Knyazeva AG, Phase Formation in a Calcium Phosphate Coating Growing on a Zirconium Substrate with an Oxide Layer // Mathematical Models and Computer Simulations, 2017, Vol. 9, No. 5, pp. 613-622

7. Aligozhina K.A., Knyazeva A.G. Modeling the propagation of a solid-phase reaction under conditions of conjugate heat transfer // Physics of Combustion and Explosion. - 2017. - No. 4. - P. 48-57 https://elibrary.ru/item.asp?id=29772334

8. Nazarenko N.N., Knyazeva A.G. Phase formation in a calcium phosphate coating growing on a zirconium substrate with an oxide layer // Mathematical Modeling. - 2017. - T.29 - No. 2. - P. 79-90 https://elibrary.ru/item.asp?id=28912739

9. Knyazeva A.G., Maslov A.L. Identification of parameters of the model of thermal decomposition of oil shale // Chemical physics and mesoscopy. - 2017. - T.19. - No. 3. - P. 371-378 https://elibrary.ru/item.asp?id=30520080

10. Kahramanov R.M., Knyazeva A.G., Rabinsky L.N., Solyaev Yu.O. On the possibility of using quasi-stationary solutions to describe the thermal state of products manufactured by layer-by-layer laser synthesis methods // Thermophysics of high temperatures. - 2017. - T. 55. - No. 5. - P. 746-752 https://elibrary.ru/item. asp?id=29964207

11. Nazarenko N.N., Knyazeva A.G., Komarova E.G., Sedelnikova M.B., Sharkeev Yu.P. Relationship between the structure and effective diffusion properties of porous zinc- and copper-containing calcium phosphate coatings // Physics and chemistry of materials processing. - 2017. - No. 4. - P.19-30 https://elibrary.ru/item.asp?id=30041053

12. Chumakov Yu.A., Knyazeva A.G., Pribytkov G.A. Synthesis of titanium-based composites in combustion mode // Chemical physics and mesoscopy. - 2017. - T.19. - No. 4 https://elibrary.ru/item.asp?id=32341276

13. Zolnikov KP, Kryzhevich DS, Korchuganov AV, Psakhie SG Dynamics of bicomponent nanoparticle formation under metal wire explosion // Solid State Phenomena. - 2017. - V. 258. - P. 57-60. - doi: 10.4028/www.scientific.net/SSP.258.57.

14. Dmitriev AI, Voll LB, Popov VL, Psakhie SG Universal limiting shape of worn profile under multiple-mode fretting conditions: theory and experimental evidence // Scientific Reports. - 2016. - V.6. - P. 23231. doi:10.1038/srep23231

15. Shilko EV, Grinyaev Yu.V., Popov MV, Popov VL, Psakhie SG Nonlinear effect of elastic vortex-like motion on the dynamic stress state of solids // Physical Review E. - 2016. - V.93. - P.053005-1-053005-8.

16. Dmitriev A.I., Hausler I., Osterle W., Wetzel B., Zhang G. Modeling of the stress-strain behavior of an epoxy-based nanocomposite filled with silica nanoparticles // Materials & Design, 89 (2016) 950-956 .

17. Osterle W., Dmitriev AI, Wetzel B., Zhang, G., Hausler, I., Jim, BC The role of carbon fibers and silica nanoparticles on friction and wear reduction of an advanced polymer matrix composite // Materials & Design , 93 (2016) 474-484.

18. Psakhie SG, Dimaki AV, Shilko EV, Astafurov SV A coupled discrete element-finite difference approach for modeling mechanical response of fluid-saturated porous materials // International journal for numerical methods in engineering. -2016. -V.106. No.8. -Pp. 623-643.

19. Chertova, NV; Grinyaev, Yu.V. Special features of oblique wave propagation through the interface of media with dislocations // Physical Mesomechanics. - 2016. - V.19. - P. 55-68.

20. Kushch VI, Knyazeva AG Finite cluster model and effective conductivity of a composite with non-randomly oriented elliptic inclusions // Acta Mechanica, 227, 113-126 (2016), DOI 10.1007/s00707-015-1413-4 https:/ /link.springer.com/article/10.1007/s00707-015-1413-4

21. Knyazeva AG, Shanin SA Modeling of evolution of growing coating composition // Acta Mechanica, 227, 75-104 (2016), DOI 10.1007/s00707-015-1430-3 https://link.springer.com/article/ 10.1007/s00707-015-1430-3

22. Shanin S.A., Knyazeva A.G. On the numerical solution of problems of non-isothermal multicomponent diffusion with variable coefficients // Computational technologies. 2016. T. 21. No. 2. P. 88-97 https://elibrary.ru/item.asp?id=28886946

23. Knyazeva A.G., Maslov A.L. Numerical study of the effect of porosity on the thermal decomposition of oil shale during underground heating by an electromagnetic field // Chemical physics and mesoscopy, 2016 - Vol. 18, No. 2. pp. 206-214 https://elibrary.ru/item.asp?id=26417180

24. Mikhail Itskov, Anna Knyazeva A rubber elasticity and softening model based on chain length statistics // International Journal of Solids and Structures, 2016, V.80. P.512-519 http://dx.doi.org/10.1016/j.ijsolstr.2015.10.011

25. Anisimova MA, Knyazeva AG Model of oxygen cutting of a metal plate with chemical heat release // Combustion, Explosion and Shock Waves. - 2016 - Vol. 52 - no. 1. - p. 53-61 https://link.springer.com/article/10.1134/S001050821601007X

26. Knyazeva, A.G. (2016). Thermodynamics with additional parameters for polycrystals. International Journal of Nanomechanics Science and Technology, 7(1), 1-25. http://www.dl.begellhouse.com/journals/11e12455066dab5d,730ab90524a04d3f,3fe5dfa54386a9d5.html

27. Zolnikov KP, Kryzhevich DS, Shilko EV, Korchuganov AV Molecular dynamics simulation of electric pulse explosion of metal wires // Procedia Structural Integrity. 2016. V2. P.1421-1426.

28. V. L. Popov, A. Dimaki, S. Psakhie, M. Popov. On the role of scales in contact mechanics and friction between elastomers and randomly rough self-affine surfaces. // Scientific Reports. - 2015. - Vol. 5. - P. 11139. - doi:10.1038/srep11139.

29. Psakhie SG, Shilko EV, Popov MV, Popov VL The key role of elastic vortices in the initiation of intersonic shear cracks // Physical Review E. - 2015. - V.91. - P. 063302.

30. Shilko EV, Psakhie SG, Schmauder S., Popov VL, Astafurov SV, Smolin A.Yu. Overcoming the limitations of distinct element method for multiscale modeling of materials with multimodal internal structure // Computational Materials Science. - 2015. - V.102. - P. 267-285.

31. Psakhie SG, Dimaki AV, Shilko EV, Astafurov SV A coupled discrete element-finite difference approach for modeling the mechanical response of fluid-saturated porous materials // International Journal for Numerical Methods in Engineering. - 2015. DOI: 10.1002/nme.5134.

32. Kuznetsov V.P., Tarasov S.Yu., Dmitriev A.I. Nanostructuring burnishing and subsurface shear instability // Journal of Materials Processing Technology. 217 (2015) 327-335.

33. Smolin A.Yu., Shilko EV, Astafurov SV, Konovalenko IS, Buyakova SP, Psakhie SG Modeling mechanical behaviors of composites with various ratios of matrix-inclusion properties using movable cellular automaton method // Defense Techonlogy. 2015. V. 11. P. 18-34. doi: 10.1016/j.dt.2014.08.005

34. Korchuganov AV, Zolnikov KP, Kryzhevich DS, Chernov VM, Psakhie SG Generation of shock waves in iron under irradiation // Nucl. Instr. Meth. Phys. Res. B. - 2015. - V. 352 - P. 39-42.

35. Zolnikov KP, Korchuganov AV, Kryzhevich DS, Chernov VM, Psakhie SG Structural changes in elastically stressed crystallites under irradiation // Nucl. Instr. Meth. Phys. Res. B. - 2015. - V.352. - P.43-46.

36. Knyazeva, AG, Grabovetskaya, GP, Mishin, IP, Sevostianov, I. On the micromechanical modeling of the effective diffusion coefficient of a polycrystalline material / Philosophical Magazine, 2015 - 95 (19), pp. 2046-2066 https://www.tandfonline.com/doi/full/10.1080/14786435.2015.1046965

37. Demidov V.N., Knyazeva A.G. On the selection of source parameters for the processes of hardening and surface heat treatment / Mechanical Engineering: network electronic scientific journal. 2015. T. 3. No. 2. P. 17-31 https://elibrary.ru/item.asp?id=23213246

38. Knyazeva A.G., Sorokova S.N., Pobol A.I., Goransky G.G. Modeling the process of pulsed electric contact sintering of carbide powder compositions / Chemical physics and mesoscopy. 2015. T. 17. No. 2. P. 239-252 https://elibrary.ru/item.asp?id=23770600

39. Mishnaevsky L. Jr., Levashov E., Valiev RZ, Segurado J., Sabirov I., Enikeev N., Prokoshkin S., Solov'yov AV, Korotitskiy A., Gutmanas E., Gotman I., Rabkin E. ., Psakh'e S., DluhoЕЎ L., Seefeldt M., Smolin A. Nanostructured titanium-based materials for medical implants: Modeling and development // Materials Science and Engineering R. 2014. V. 81. P. 1-19 . doi: 10.1016/j.mser.2014.04.002

40. Smolin A.Yu., Roman N.V., Konovalenko Ig.S., Eremina G.M., Buyakova SP, Psakhie S.G. 3D simulation of dependence of mechanical properties of porous ceramics on porosity // Engineering Fracture Mechanics. 2014. V. 130. P. 53-64. doi: 0.1016/j.engfracmech.2014.04.001

41. Psakhie SG, Shilko EV, Grigoriev AS, Astafurov SV, Dimaki AV, Smolin A.Yu. A mathematical model of particle-particle interaction for discrete element based modeling of deformation and fracture of heterogeneous elastic-plastic materials // Engineering Fracture Mechanics. -2014. -V.130. -Pp. 96-115.

42. Psakhie, S. G.; Zolnikov, K.P.; Dmitriev, AI; Smolin, A.Yu.; Shilko, EV Dynamic vortex defects in deformed material // Physical Mesomechanics. - 2014 - V. 17. - P. 15-22.

43. Shanin S.A., Knyazeva A.G. Coupled model of coating formation on a cylindrical substrate // Prikl. 2014. No. 3. P. 192-204 http://www.sibran.ru/journals/issue.php?ID=160761&ARTICLE_ID=160795

44. Nazarenko N.N., Chumakov Yu.A., Knyazeva A.G. Study of mass transfer processes between a particle decomposing in an electric field and the surrounding liquid // Physics and chemistry of materials processing.-2014.-в„–6.- P.50-57 https://elibrary.ru/item.asp?id= 22670087

45. Grinyaev Yu.V., Psakhye S.G. On phase transitions of gas in a 2d nanopore // Physical mesomechanics. 2013. T. 16. No. 4. P. 105-108.

46. ​​Shanin S.A., Knyazeva A.G., Pobol I.L., Denizhenko A.G. Numerical and experimental study of the influence of technological parameters on the phase and chemical composition of a carbide coating growing in a pulsed electric arc plasma // Chemical physics and mesoscopy. - 2012. - T.14, No. 4. - P.525-535 https://elibrary.ru/item.asp?id=18795299

47. Psakhie SG, Ruzhich VV, Shilko EV, Popov VL, Astafurov SV A new way to manage displacements in zones of active faults // Tribology International. - 2007. - V.40. -P. 995-1003.

48. Grinyaev Yu.V., Chertova N.V. Field theory of defects, part II // Physical Mesomechanics. 2006. V. 9. Iss. 1-2. P. 34-45.

49. Grinyaev Yu.V., Chertova N.V. Field theory of defects, part I // Physical Mesomechanics. 2000. V. 3. Iss. 5. P. 17-29.

50. Psakhie S.G., Horie Y., Ostermeyer G.P., Korostelev S.Yu., Smolin A.Yu., Shilko E.V., Dmitriev A.I., Blatnik S., Spegel M., Zavsek S. Movable cellular automata method for simulating materials with mesostructure ,Theoretical and Applied Fracture Mechanics. - 2001. - V.37. - P. 311-334. doi: 10.1016/S0167-8442(01)00079-9.

List of patents

1. Patent. No. 139868 Ross. Federation “Metal sample for studying the relationship between the degree of accumulated shear strain in the surface layer and processing modes using methods of severe plastic deformation”

2. Certificate of state registration of computer program No. 2016614245 “Programs for computer modeling of deformation and destruction of nanostructured surface layers of metal-ceramic composite materials with explicit consideration of structural elements of micro- and nanoscopic scales based on the method of moving cellular automata”

Communication with universities

1. Shilko E.V. - Professor of the Department of Metal Physics, Faculty of Physics, Tomsk State University. Conducts lectures on the courses “Fundamentals of Computer Modeling in Solid State Physics” and “Computer Modeling in Solid State Physics and Mechanics”, supervises undergraduate and graduate students.

2. Dmitriev A.I. - Professor of the Department of Metal Physics, Faculty of Physics, Tomsk State University. Conducts lectures on the courses “Defects in Crystals” and “Computer Modeling Methods in Solid State Physics”, supervises undergraduate and graduate students.

3. Smolin A.Yu. - Professor of the Department of Mechanics of Deformable Solids, Faculty of Physics and Technology of TSU, lectures and seminars in the courses “Mechanics of Contact Interaction and Fracture”, “Computer Technologies in Science and Education”, “Discrete Modeling Methods in the Physics and Mechanics of Deformable Solids”, manual scientific work of undergraduate and graduate students.

4. Grinyaev Yu.V. - Professor of the Department of Strength and Design, Faculty of Physics and Technology, TSU.

Public acceptance

Smolin A.Yu. - member of the editorial board of the journal “Defense Technology”, published by Elsevier with the support of the Chinese Artillery Society, corresponding member of the International Academy of Informatization.

Grinyaev Yu.V. - Member of the editorial board of the journal “Physical Mesomechanics”.