Laboratory of Physics of Nonlinear...

Laboratory of Physics of Nonlinear Media

Head lab. Hong Yu.A.

Khon Yuri Andreevich

Doctor of Physical and Mathematical Sciences, Professor
Tel.: (382-2) 286824

More details

Brief historical background about the unit

The Laboratory of the Theory of Nonequilibrium States is one of the first laboratories created at the Institute. Even before the official opening of the institute, a department of solid state physics was opened at the Institute of Atmospheric Optics of the SB RAS in 1981. A laboratory of solid state theory was opened in this department. Associate Professor of the Department of Experimental Physics of Tomsk State University, Ph.D., was invited to the position of head of the laboratory. Hong Yu.A. After the opening of the institute in 1984, a department of solid state theory was created, which included a laboratory for the theory of nonequilibrium states. After some time, the laboratory became an independent structural unit of the institute. The laboratory received its current name in August 2008.

Areas of research, directions of fundamental research

1. The role of the electronic subsystem in the formation of the properties of bulk and low-dimensional materials.

2. Mechanisms of irreversible structural transformations and mass transfer in bulk and low-dimensional materials under mechanical loads and exposure to physical fields. Development of models and methods for theoretical description of processes in nonequilibrium non-stationary systems.

3. Development of the theoretical foundations of electronic transport and thermal properties of low-dimensional carbon nanostructures (graphene, fullerenes, carbon nanotubes) at various concentrations of structural defects, types of their configuration in the layer and on the surface, taking into account electron-phonon and phonon-phonon interactions. Effect of temperature, concentration, type and location of impurity on the electronic and thermal properties of low-dimensional carbon materials.

4. Creation of mathematical models of deformation processes of anisotropic materials, taking into account different symmetry of properties, auxeticity, anisotropy of volumetric compressibility, anisotropy of propagation of longitudinal and body waves, and various destruction mechanisms. Study of deformation processes in anisotropic materials using original programs that implement these mathematical models in a three-dimensional formulation for contact problems.

Problems solved within these areas

1. First-principles calculations of the properties of bulk and low-dimensional materials of various natures with alloying and the presence of defects of various types.

2. Development of methods for theoretical description of processes in nonequilibrium non-stationary systems, taking into account the excitation of electronic degrees of freedom in the nonequilibrium state of the material. Construction of a theory of nonequilibrium phase transitions of melting of crystalline bodies, nanocrystallization of amorphous materials, mass transfer under mechanical loads, generation of elementary carriers of plastic deformation and destruction.

Unit composition

Total number of 10 people,
- 5 Doctors of Science,
- 3 Candidates of Science,
- 3 young researchers (up to 33 years old)

Laboratory of Physics of Nonlinear Media

List of staff members
1. Khon Yuri Andreevich, head. Laboratory, Doctor of Physical and Mathematical Sciences,
2. Kulkova Svetlana Evgenievna, Chief Researcher, Doctor of Physical and Mathematical Sciences,
3. Krivosheina Marina Nikolaevna , leading researcher, doctor of physical and mathematical sciences,
4. . Slyadnikov Evgeniy Evgenievich, senior researcher, doctor of physical and mathematical sciences Sc., professor Email: nadiet@mail.ru5. Bakulin Alexander Viktorovich senior researcher, candidate of physical and mathematical sciences, bakulin@ispms.ru6. Elena Vladimirovna Tuch, Researcher, Candidate of Physical and Mathematical Sciences,
7. Bobenko Nadezhda Georgievna Researcher, Candidate of Physical and Mathematical Sciences,

The most important scientific results

1. The sorption properties of hydrogen at the slope boundary ОЈ5(310) and the corresponding (310) surface in a series of intermetallic B2-TiMe alloys and iron were calculated and electronic factors promoting hydrogen embrittlement were established.

2. A systematic study of the adhesive properties of a wide range of metal-ceramic interfaces (metal-oxide, metal-carbide, metal-nitride) was carried out, including depending on their orientational relationships. General trends have been established in changes in the separation energy depending on the structure and chemical composition of the interface layers, the electronic structure of the metal, magnetism and deformation of materials at the interfaces.

3. Atomic mechanisms of self-diffusion in metals with hcp structure and B2-TiNi alloy were studied and optimal modeling parameters were established from first principles.

4. The sorption properties of oxygen in Ti-Al alloys were studied and the factors responsible for the peculiarities of the diffusion characteristics of oxygen in these alloys were identified.

5. The nature of the selective interaction of adsorbates (halogens and alkali metals) on the polar surface (001) of III-V semiconductors, as well as electronic factors contributing to the adsorbate-induced weakening of bonds in the substrate, has been clarified.

6. Mechanisms for eliminating interface states on the (111) surface of III-V semiconductors during the formation of an interface with anodic fluorine-containing oxides have been established.

7. A theory of low-temperature electronic transport properties of low-dimensional carbon materials (graphene, fullerene, carbon nanotubes) has been constructed.

8. A model and theory of dynamic instability of a flat surface of loaded solids, determined by the excitation of electronic degrees of freedom, has been developed.

9. A mathematical model of elastoplastic deformation of auxetic materials was constructed taking into account the anisotropy of volumetric compressibility under dynamic loading conditions. Based on a mathematical model, a numerical technique for shock loading of structural elements in a three-dimensional setting was created.

Projects, grants, contracts

1. RFBR grant 13-02-98017r_siberia_a (2013-2015) “Study of microscopic mechanisms of modification of polar surfaces of A3B5 semiconductors by halogens: a first-principle approach.”

2. Russian-Chinese RFBR grant 14-02-91150-GFEN_a (2014-2015) “First-principles study of the formation of oxide layers on the surfaces of titanium-based alloys and their interfaces with oxides” together with the group of prof. Hu (Institute of Metal Research, CAS, Shenyang).

3. Grants of the German Scientific Society DFG Schm746/111-1 (2011), Schm746/87-1 (2009), Schm746/81-1 (2008) together with the group of prof. Schmauder (Institute for Strength Physics, Materials Science and Materials Testing, University of Stuttgart).

4. Participation in a mega-grant (resolution 220) under the guidance of a foreign scientist (Chulkov E.V.)

5. RFBR grant 09-03-00523a (2009-2011) “First-principles study of the influence of structural defects on adhesion at metal-ceramic interfaces.”

6. RFBR grant 09-02-01045a (2009-2011) “Adsorbate-induced change in the stoichiometry and surface structure of III-V semiconductors” (together with the Institute of Physical Problems SB RAS).

7. Interdisciplinary integration project of the SB RAS No. 99 (2009-2011) “Physico-chemical principles of the formation of perfect heterointerfaces semiconductors A3B5-dielectric for the creation of optoelectronic devices” (together with the Institute of Physics of Physics SB RAS and the Institute of Physics SB RAS).

8. Russian-Chinese RFBR grant 08-02-92201-GFEN_a (2006-2008) “Study of pre-martensitic phenomena in Heusler magnetic alloys with shape memory effect: a first-principles approach” together with the group of prof. Hu (Institute of Metal Research, CAS, Shenyang).

9. RFBR grant 07-02-01452 (2007-2009) “Study of the influence of hydrogen on the formation of defect structures in palladium and titanium alloys” together with the scientific group of the Department of Solid State Physics of the Faculty of Moscow State University.

10. RFBR grant 04-02-17221 (2004-2007) “The influence of hydrogen on the atomic and electronic structure of the surface and volume of transition metals and alloys” jointly with Moscow State University.

11. RFBR grant N 05-02-16074 (2005-2007) “Study of the relationship between structural and magnetic transformations in Heusler alloys and their thin films”

12. State contract No. 02.434.11.2016 dated July 15, 2005 between the Federal Agency for Science and Innovation and the Institute of Semiconductor Physics of the Siberian Branch of the Russian Academy of Sciences, agreement 524 (2005-2006) “Theoretical study of the structure and electronic properties of A3B5 compound surfaces with adsorbates” .

13. Russian-Chinese grant RFBR-GFEN 04-02-39009 (2005-2006) “Study of the influence of structural defects and alloying on the properties of compounds based on palladium and titanium and their hydrides” together with the group of prof. Hu (Institute of Metal Research, CAS, Shenyang).

14. RFBR grant N 02-02-16336 2002-2003 “Study of the influence of hydrogen adsorption on the properties of titanium alloys”

15. NATO project PST.EV.979039 (2003) "First principles calculations of loss-energy spectrum of electrons in Ni-based intermetallics", RUCA, Antwerp, Belgium.

16. Grants from the Scientific Society of Korea: KOSEF-2001, 2002 and the innovation fund POSCO-2002 (South Korea) “The study of atomic and electronic structure of titanium-based alloys thin films.”

17. Project INTAS N 99-00125 (1999-2002) “Optimized structures for spin-polarized electron sources” (with St. Petersburg State Technical University, USA, France)

18. Project CRDF N RP1-2345-ST-02 (2002-2004) “Study of spin-polarized electron transport and emission from new strained nanostructures with enlarged valence band splitting” (with St. Petersburg State Technical University and USA)

In 2018:

1. Council of Europe project: Marie Curie International Research Staff Exchange Scheme Fellowship within the 7th European Community Framework Program (Grant Agreement Number 612552) (2014-2018)

2. RFBR grant 18-03-00064a (2018-2020) “Structural, physicochemical and mechanical properties of Ti-Al alloy-oxide interfaces: fundamental aspects.”

3. RFBR grant 18-31-00278 mol_a

Major publications

Over the past 5 years

1. AV Bakulin, SS Kulkov, SE Kulkova, S. Hocker, S. Schmauder, Influence of substitutional impurities on hydrogen diffusion in B2-TiFe alloy // Int. J. Hydrogen Energy - 2014. - V. 39, N 23. - P. 12213-12220.

2. S. Hocker, S. Schmauder, A. Bakulin, S. Kulkova, Ab initio investigation of tensile strengths of metal(111)/О±-Al2O3(0001) interfaces / Phil. Mag. - 2014. - V. 94, N3. - P. 265-284.

3. H. Shi, J. Frenzel, G. T. Martinez, S. Van Rompaey, A. Bakulin, S. Kulkova, S. Van Aert, D. Schryvers, Site-occupation of Nb atoms in ternary Ni-Ti-Nb shape memory alloy // Acta Materialia - 2014. - V. 74. - P. 85-95.

4. Ponomarev AN, Egorushkin VE, Melnikova NV, Bobenko NG On the low-temperature anomalies of specific heat in disordered carbon nanotubes // Physica E. 2015, V.66, Pp. 13-17.

5. Bobenko NG, Egorushkin VE, Melnikova NV, Ponomarev AN Are carbon nanotubes with impurities and structure disorder metals or semiconductors? // Physica E. 2014, V.60, Pp. 11-16.

6. Ponomarev AN, Egorushkin VE, Melnikova NV, Bobenko NG Reconstruction of the “phase separation - ordering” type and specific heat in carbon nanotubes // Applied Mechanics and Materials. 2014, V1623, pp. 503-506.

7. AV Bakulin, SE Kulkova, QM Hu and Rui Yang, Adsorption and diffusion of oxygen on (001) and (100) TiAl surface // Comp. Mat. Science. - 2015. - V. 97. -P. 55-63.

8. A Bakulin, A Shaposhnikov, I Smolin, OE Tereshchenko, S Kulkova. The Peculiarities of Halogens Adsorption on A3B5(001) Surface // IOP Conf. Series: Materials Science and Engineering. - 2015. - V. 77- P. 012002

9. SE Kulkova, AV Bakulin, SS Kulkov, S. Hocker, S. Schmauder, Influence of Interstitial Impurities on the Griffith work in Ti-based Alloys // Physica Scripta - 2015. - V. 90 (9). - P. 094010

10. OE Tereshchenko, VA Golyashov, SV Eremeev, I. Maurin, AV Bakulin, SE Kulkova, MS Aksenov, VV Preobrazhensky, MA Putyato, BR Semyagin, DV Dmitriev, AI Toropov, AK Gutakovskii, SE Khandarkhaeva, I1.P. Prosvirin, AV Kalinkin, VI Bukhtiyarov, and AV Latyshev. Ferromagnetic HfO2/Si/GaAs interface for spin-polarimetry applications // Journal: Applied Physics Letters - 2015. - V.107. N 2. - P.123506.

11. Ponomarev AN, Egorushkin VE, Melnikova NV, Bobenko NG On the low-temperature anomalies of specific heat in disordered carbon nanotubes // Physica E. 2015, V.66, Pp. 13-17.

12. Ponomarev AN, Egorushkin VE, Melnikova NV, Bobenko NG On the low-temperature anomalies of specific heat in disordered carbon nanotubes // Physica E. 2015, V.66, Pp. 13-17

13. AV Bakulin, TI Spiridonova, SE Kulkova, S. Hocker, S. Schmauder. Hydrogen diffusion in doped and undoped О±-Ti: An ab-initio investigation // Int. J. Hydrogen Energy. - 2016. - V. 41. - P. 9108-9116.

14. M.N. Krivosheina, S.V. Kobenko, M.A. Kozlova, E.V. Tuch Features of fracture of metals and alloys characterized by a high degree of anisotropy of limiting strains during fracture // Phys. mesomech. - 2016. - T. 19. - No. 4. - P. 74-81

15. Fa-Ping Ping, Qing-Miao Hu, Alexander V. Bakulin, Svetlana E. Kulkova, R. Yang. Alloying effects on properties of Al2O3 and TiO2 in connection with oxidation resistance of TiAl// Intermetallics - 2016. - V. 68. - P. 57-62.

16. LJ Zhang, TI Spiridonova, SE Kulkova, R. Yang, QM Hu. Atomic self-diffusion anisotropy of HCP metals from first-principles calculations // Comp. Mater. Sci. - 2017. - V. 128. - P. 236-242

17. A.V. Bakulin, A.M. Latyshev, S.E. Kulkova. Absorption and diffusion of oxygen in the Ti3Al alloy // JETP - 2017. - T. 152, no. 1(7). - pp. 164-176.

18. A.M. Latyshev, A.V. Bakulin, S.E. Kulkova. Oxygen adsorption on low-index surfaces of the Ti3Al alloy // Solid State Physics - 2017. - T. 59, no. 9. - S. 1828-1842.

19. NA Valisheva, AV Bakulin, MS Aksenov, SE Khandarkhaeva, SE Kulkova. Passivation mechanism of the native oxide/InAs interface by fluorine // J. Chem. Phys. C - 2017. - V. 121, N 38. - P. 20744-20750

20. N. Melnikova, A. Murzashev, T. Nazarova, E. Shadrin, A. Ponomarev. The "rule of multiplicity of three": Does it work in carbon nanotubes? // Fullerenes Nanotubes and Carbon Nanostructures - 2017. - V. 25, N. 6. - P. 379-385.

21. VE Panin, VE, Egorushkin, NS Surikova, YI Pochivalov. Shear bands as translation-rotation modes of plastic deformation in solids under alternate bending // Materials Science and Engineering A - 2017. - 703. - P. 451-460.

22. VE Egorushkin, VE Panin. Scale invariance of plastic deformation of the planar and crystal subsystems of solids under superplastic conditions//Physical Mesomechanics - 2017. - 20, N.1 - P. 1-9. .

23. MN Krivosheina, SV Kobenko, EV Tuch, OA Kashin, AI Lotkov & Yu. A Khon, Fracture features of anisotropic materials at different impact velocities, European Journal of Computational Mechanics, 2017, 26:5-6, 609-621

24. AV Bakulin, TI Spiridonova, SE Kulkova, Atomic self-diffusion in TiNi, Computational Materials Science 148 (2018) 1-9.

25. Ye. Ye. Slyadnikov, Yu.A. Khon, P. P. Kaminskii, I. Yu. Turchanovskii. Formation and propagation of the temperature front during crystallization of the amorfous alloy Ti50Cu50 initiated by a volume thermal source/ Technical Physics 3 (2018) 374-379.

26. Yu.A. Khon, H. Zapolsky, P. P. Kaminskii, A. N. Ponomarev, Dynamical instability of Surface of Stressed Solids, Physics of the solid state 37 (2018).

27. SS Kulkov, AV Bakulin, SE Kulkova. Effect of boron on the hydrogen-induced grain boundary embrittlement in О±-Fe // Int. J. Hydrogen Energy - 2018. - V. 43. - P. 1909-1925.

Communication with universities

5 laboratory employees (S.E. Kulkova, A.V. Bakulin, A.N. Ponomarev, E.E. Slyadnikov, N.G. Bobenko) teach at universities in Tomsk

Public acceptance

Hong Yu.A. - Honored Scientist of the Russian Federation.

Kulkova S.E. - Veteran of the SB RAS, Silver Sigma badge, diploma of the Russian Academy of Sciences, certificates of honor from the Institute of Physics and Mathematics and the SB RAS, laureate of the SB RAS prize (1984)