Laboratory of Physics of Surface Phenomena

Brief historical background about the unit

The Laboratory of Physics of Surface Phenomena was created on April 18, 1990. The first head of the laboratory was Doctor of Physical and Mathematical Sciences. Chulkov E.V. (since 1997, E.V. Chulkov has been working at the Institute "The Donostia International Physics Center", San Sebastian, Spain). From 1997 to 2001 The laboratory was headed by Doctor of Physical and Mathematical Sciences. Naumov I.I. (since 2001, Naumov I.I. has been working in the USA at the Geophysical Laboratory, Carnegie Institution of Washington, Washington DC. Since 2005, the head of the laboratory has been Dr. Panin A.V.

Areas of research, directions of fundamental research

• Computer modeling of atomic, electronic, magnetic and dynamic properties of ordered surface nanostructures and nanoclusters
• Development of a multi-level model of deformation and fracture of surface-hardened materials.
• Study of the multi-level nature of degradation of thin films and nanostructured coatings under various external influences
• 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
• Development of additive technologies for the production of metal products, as well as their thermal and mechanical post-processing.

Problems solved within these areas

Theoretical study of the atomic and electronic properties of internal and external interfaces (crystal structure, nature of chemical bonding, vibrational and electronic spectra, elastic stress fields, energy of formation and migration of point defects). Study of the structural and dynamic characteristics of metal surfaces when applying submonolayer coatings. Study of the influence of surface condition and external influences on the properties of low-temperature structures.

Theoretical and experimental study of the patterns of localization of plastic deformation and fracture mechanisms at different scale levels of structural materials (titanium and its alloys, zirconium and its alloys, low-activation steel EK-181, etc.) with modified surface layers.

Study of the mechanisms of deformation and destruction of thin films and multilayer multicomponent coatings when passing electric current, thermal and mechanical loading. Development of diagnostic criteria for pre-fracture of nanostructured coatings and recommendations for increasing their reliability.

Development of scientific foundations for the design of multilayer multicomponent coatings according to the “bottom-up” scheme, consisting in the interconnected and coordinated use of three different-scale scientific research methods, namely, carrying out first-principles calculations of the electronic structure of multicomponent systems; building on their basis a computer model of the mechanical behavior of a material with a multilayer multicomponent coating and experimental validation of the results of theoretical studies. The use of this approach makes it possible to substantiate the optimal elemental and phase compositions, thickness and number of individual layers that provide enhanced physical, mechanical and tribological characteristics of multicomponent coatings.

Development of technologies for 3D printing of metal products using electron beam alloying, and substantiation of the possibility of increasing the mechanical and tribological characteristics of products formed by additive technologies through nanostructuring of their surface layers.

Unit composition

Total number of 12 people, including:

- 6 Doctor of Sciences,

- 4 candidates of sciences,

- 1 young researcher (up to 33 years old)

List of staff members

Panin Alexey Viktorovich , head. Laboratory, Doctor of Physical and Mathematical Sciences, pav@ispms.ru

Eremeev Sergey Vladimirovich, senior researcher, doctor of physical and mathematical sciences, eremeev@ispms.ru

Koroteev Yuri Mikhailovich, senior researcher, doctor of physical and mathematical sciences, koroteev@ispms.ru

Perevalova Olga Borisovna, senior researcher Doctor of Physical and Mathematical Sciences, perevalova52@mail.ru

Rusina Galina Gennadievna, senior researcher, doctor of physical and mathematical sciences, rusina@ispms.ru

Shugurov Artur Rubinovich, senior researcher, doctor of physical and mathematical sciences, shugurov@ispms.ru

Borisova Svetlana Davydovna, research scientist, candidate of physical and mathematical sciences, svbor@ispms.ru

Kazachenok Marina Sergeevna, research scientist, candidate of technical sciences, kms@ispms.ru

Sinyakova Elena Aleksandrovna, junior researcher, candidate of technical sciences, mea@ispms.ru

Martynov Sergey Andreevich, junior researcher, candidate of physical and mathematical sciences, martynov@ispms.ru

Kazantseva Lyudmila Alekseevna, engineer, kazantseva-la@ispms.tsc.ru

The most important scientific results

A systematic study of materials with strong spin-orbit interaction was carried out, several new classes of three-dimensional topological insulators were predicted, principles for the design of two-dimensional topological insulators based on materials with large Rashbian splitting and heterostructures based on topological insulators in combination with normal and magnetic insulators were proposed.

Using theoretical methods (model and ab initio) and computer simulation, a study of the electronic, structural and vibrational properties of low-dimensional solid-state systems: surfaces, adsorbates and their clusters, thin films, multilayer heterostructures was carried out. Spin-split electronic states, which make it possible to manipulate the spin of current carriers through an applied electric field, have been studied in detail. The results obtained are successfully used in leading foreign scientific centers in the design of new promising materials for nanoelectronics and spintronics.

Physical principles for the design of wear-resistant multilayer coatings based on transition metal nitrides using the “bottom-up” scheme have been developed. This approach includes theoretical calculation of the fundamental parameters of the microstructure of multicomponent coatings depending on their chemical and phase compositions based on first principles, multi-level modeling of their mechanical response under contact interaction conditions, explicitly taking into account the characteristics obtained from first-principles calculations, and experimental validation of the results theoretical research. Computer models have been developed to substantiate the optimal elemental and phase compositions of multicomponent coatings, as well as the thickness, composition and number of individual layers in their multilayer compositions, which will ensure increased thermal stability, physical-mechanical and tribological characteristics of multilayer multicomponent coatings.

A theoretical and experimental substantiation of the concept of a multi-level description of a deformable solid body as a nonlinear hierarchically organized system was carried out. A multi-level nature of plastic deformation of modified surface layers of structural materials subjected to treatment with continuous or pulsed electron beams and subsequent uniaxial tension has been revealed. It is shown that the main mechanism of plastic deformation of modified surface layers is shear under the influence of maximum tangential stresses. Dislocation deformation mechanisms are an effective way to accommodate the material rotation caused by the displacement of one part of the crystal relative to another. The propagation of non-crystallographic shifts in modified surface layers having a nonequilibrium martensitic structure is associated with plastic distortion of the crystal lattice and the development of reversible structural-phase transformations. The destruction of the material must be qualified as a structural-phase decomposition of the crystal lattice, associated with the development of plastic distortion mechanisms in zones of high local curvature of the crystal lattice.

A multi-level model of deformation and destruction of surface-hardened materials has been developed. The determining role of local curvature of the surface and the interface “hardened surface layer - volume of material” in the initiation of crystalline shears in loaded polycrystalline structural materials has been substantiated experimentally and theoretically. It is concluded that localized plastic flow of all types can originate and propagate only in zones of tensile normal stresses, where highly nonequilibrium states arise. It is shown that the movement of nonequilibrium point defects in zones of high local curvature of the crystal lattice causes viscous non-crystallographic plastic flow, dissolution (or dispersion) of the initial phases and the appearance of nonequilibrium phases in the deformed material. The possibility of reversible structural-phase transformations under conditions of strong curvature of the crystal lattice makes it possible to obtain the effect of a significant increase in the fatigue life of polycrystalline materials by nanostructuring their surface layers.

Technological methods have been developed for producing products from titanium and its alloys by electron beam melting of wire and/or powder of the appropriate composition. Based on calculations of non-stationary temperature fields formed during the process of additive growth of products, the physical principles of 3D printing of products from titanium alloy Ti-6Al-4V, as well as their post-processing by irradiating them with pulsed/continuous electron beams, have been developed. The determining role of the structural-phase state of the surface of loaded solids, in particular, products produced by additive technologies, in the processes of their plastic deformation and, accordingly, in the formation of their mechanical properties under dynamic, cyclic and static loading, as well as wear in friction pairs, has been demonstrated .

Projects, grants, contracts

Program of fundamental research of the SB RAS for 2017-2020. project No. 23.1.1 “Mesomechanics of self-organization of processes in multiscaling of nonlinear hierarchical structures and the scientific foundations of additive technologies for creating multilayer materials” (supervisor - Academician of the Russian Academy of Sciences V.E. Panin).

Program of fundamental research of the SB RAS for 2017-2020. project No. 23.1.3 “Scientific foundations of a multi-level approach to monitoring, assessing the mechanical condition and diagnosing pre-fracture of condensed matter and soft matter” (supervisor - Doctor of Technical Sciences Panin S.V.)

Comprehensive program of fundamental research of the SB RAS “Interdisciplinary integration research” for 2018-2020. “Development of fundamentally new additive technologies for processing structural materials and their welded joints for extreme loading conditions” (supervisor - Academician of the Russian Academy of Sciences. V.E. Panin).

Joint research project of the Siberian Branch of the Russian Academy of Sciences and the Ministry of Science and Technology (MOST) of Taiwan “Development of scientific foundations for the creation of promising heat-protective and wear-resistant multicomponent coatings” (2017-2019, leader - Doctor of Physical and Mathematical Sciences A.V. Panin. )

Federal Targeted Program project “Development of the scientific foundations of a new method of post-processing of products formed by additive technologies, based on a combined pulsed high-frequency multi-level mechanical-electrophysical influence” (2018-2020, head, Doctor of Technical Sciences S.V. Panin)

Grant of the Russian Science Foundation No. 17-79-10362 “Study of the mechanisms of deformation and fracture of titanium alloy Ti-6Al-4V with a nanostructured surface layer” (2017-2019, head - Candidate of Technical Sciences Sinyakova E.A.)

Grant of the Russian Science Foundation No. 18-19-00559 “Development of scientific foundations for post-processing of 3D-printed products made of titanium alloy VT6, ensuring their high mechanical and tribological properties” (2018-2020, head - Dr. Panin A.V.)

Grant of the Russian Science Foundation 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 - Doctor of Physical and Mathematical Sciences . Dmitriev A.I.)

Grant of the Russian Science Foundation No. 18-12-00169 “Control of electronic properties of topologically non-trivial phases” (2018-2020, head - Doctor of Physical and Mathematical Sciences Eremeev S.V.)

RFBR project 18-38-00569-mol_a “The influence of the curvature of the surface of samples of titanium alloy Ti-6Al-4V obtained by 3D printing on the nature of destruction of ceramic coatings” (2018-2019, leader - Ph.D. Martynov S.A.)

RFBR project 18-48-700009 r_a “Study of the influence of the microstructure formed in titanium alloys VT1-0 and Ti-6Al-4V during the 3D printing process on the patterns of local mass transfer during scratch testing” (2018-2020, head - D Shugurov A.R.)

Major publications

Monographs

1. Perevalova O.B., Konovalova E.V., Koneva N.A., Kozlov E.V. Influence of atomic ordering on grain boundary ensembles of fcc solid solutions. - Tomsk: NTL Publishing House, 2014. - 248 p.

2. Ultrasonic processing of structural materials / ed. A.V. Panina. - Tomsk: Publishing House of Tomsk State University, 2016. - 170 p.

Articles in magazines

1. Papagno M., Eremeev SV, Fujii J., Aliev ZS, Babanly MB, Mahatha S. Kr., Vobornik I., Mamedov NT, PacilГ© D., and Chulkov EV Multiple Coexisting Dirac Surface States in Three-Dimensional Topological Insulator PbBi6Te10 // ACS Nano. - 2016. - 10. - P. 3518-3524.

2. Maass H., Bentmann H., Seibel C., Tusche C., Eremeev SV, Peixoto Thiago RF, Tereshchenko OE, Kokh KA, Chulkov EV, Kirschner J., and Reinert F. Spin-texture inversion in the giant Rashba semiconductor BiTeI // Nature Communications. - 2016. - 7. - 11621.

3. Eremeev SV, Rusinov IP, Echenique PM, and Chulkov EV Temperature-driven topological quantum phase transitions in a phase-change material Ge2Sb2Te5 // Scientific Reports. - 2016. - 6. - 38799.

4. Gruznev DV, Bondarenko LV, Matetskiy AV, Mihalyuk AN, Tupchaya AY, Utas OA, Eremeev SV, Hsing Ch.-R., Chou J.-P., Wei Ch.-M., Zotov AV, Saranin AA Synthesis of two-dimensional Tl _x Bi _1-x compounds and Archimedean encoding of their atomic structure // Scientific Reports. - 2016. - 6. - 19446.

5. Rusinov IP, Menshchikova TV, Isaeva A., Eremeev SV, Koroteev Yu.M., Vergniory MG, Echenique PM, Chulkov EV Mirror-symmetry protected non-TRIM surface state in the weak topological insulator Bi2TeI // Scientific Reports. - 2016. - 6. - 20734.

6. Kozelskaya AI, Panin AV, Khlusov IA, Mokrushnikov PV, Zaitsev BN, Kuzmenko DI, Vasyukov G.Yu. Atomic force microscopy and fluorescence analysis of red blood cells treated by metal oxide nanoparticles // Toxicology in Vitro - 2016. - 37. - 34-40.

7. Hirahara T., Eremeev S.V., Shirasawa T., Okuyama Yu., Kubo T., Nakanishi R., Akiyama R., Takayama A., Hajiri T., Ideta Sh., Matsunami M., Sumida K., Miyamoto K., Takagi Ya., Tanaka K., Okuda T., Yokoyama T., Kimura Sh., Hasegawa Sh., Chulkov EV Large-Gap Magnetic Topological Heterostructure Formed by Subsurface Incorporation of a Ferromagnetic Layer // Nano Lett. - 2017. - 17. - P. 3493-3500.

8. Eremeev SV, Nechaev IA, Chulkov EV Two- and three-dimensional topological phases in BiTeX compounds. // Phys.Rev. - 2017. - B. 96. - 155309.

9. Panin AV, Kazachenok MS, Kozelskaya AI, Balokhonov RR, Romanova VA, Perevalova OB, Pochivalov Yu.I. The effect of ultrasonic impact treatment on the deformation behavior of commercially pure titanium under uniaxial tension // Materials and Design. - 2017. - V. 117. - P. 371-381.

10. Romanova V., Balokhonov R., Panin A., Kazachenok M., Kozelskaya A. Micro- and mesomechanical aspects of deformation-induced surface roughening in polycrystalline titanium // Materials Science and Engineering: A. - 2017. - V. 697. - P. 248-258.

11. Panin VE, Egorushkin VE, Elsukova TF, Surikova NS, Pochivalov YI, Panin AV (2018) Multiscale Translation-Rotation Plastic Flow in Polycrystals. In: Schmauder S., Chen C.S., Chawla K., Chawla N., Chen W., Kagawa Y. (eds) Handbook of Mechanics of Materials. Springer, Singapore (https://doi.org/10.1007/978-981-10-6855-3_77-1).

12. Pushilina N., Panin A., Syrtanov M., Kashkarov E., Kudiiarov V., Perevalova O., Laptev R., Lider A. and Koptyug A. Hydrogen-Induced Phase Transformation and Microstructure Evolution for Ti-6Al- 4V Parts Produced by Electron Beam Melting // Metals. - 2018. - 8. - P. 301.

13. Shugurov AR, Panin AV, Dmitriev AI, Nikonov A.Yu. The effect of crystallographic grain orientation of polycrystalline Ti on plowing under scratch testing // Wear. - 2018. - V. 408-409. - P. 214-221.

14. Annese E., Okuda T., Schwier E.F., Iwasawa H., Shimada K., Natamane M., Taniguchi M., Rusinov IP, Eremeev SV, Kokh KA, Tereschchenko OE, Chulkov EV, and Kimura A. Electronic and spin structure of wide bandgap topological insulator: Nearly stoichiometric Bi ₂ Te ₂ S // Phys.Rev. - 2018. - B. 97. - 205113.

15. Eremeev SV, Otrokov MM, and Chulkov EV New Universal Type of Interface in the Magnetic Insulator/Topological Insulator Heterostructures // Nano Lett. - 2018. - 18. - P. 6521-6529.

16. Potekaev AI, Naumov II Kulagina VV, Udodov VN, Velikokhatnyii OI, Eremeev SV, and Popov AA Low-stability metallic-based nanostructures / executive editor AI Potekaev. - Tomsk: Scientific Technology Publishing House, 2018. - 236 p.

17. Otrokov M.M., Klimovskikh II, Bentmann H., Estyunin D., Zeugner A., ​​Aliev ZS, Gaß S., Wolter AUB, Koroleva A.V., Shikin A.M., Blanco-Rey M., Hoffmann M., Rusinov IP, Vyazovskaya A.Yu., Eremeev SV, Koroteev Yu.M., Kuznetsov VM, Freyse F., Sánchez-Barriga J., Amiraslanov IR, Babanly MB, Mamedov NT, Abdullayev NA, Zverev VN, Alfonsov A., Kataev V., Büchner B., Schwier E.F., Kumar S., Kimura A., Petaccia L., Di Santo G., Vidal RC, Schatz S., Kißner K., Ünzelmann M., Min CH, Moser S., Peixoto TRF, Reinert F., Ernst A., Echenique PM, Isaeva A., Chulkov EV Prediction and observation of an antiferromagnetic topological insulator // Nature. - 2019. - 576. - 416.

18. Borisova SD, Rusina GG, Eremeev SV and Chulkov EV Phonons on Cu(001) surface covered by submonolayer alkali metals // J. Phys.: Condens. Matter. - 2019. - 31. - 125001.

19. Otrokov MM, Rusinov IP, Blanco-Rey M., Hoffmann M., Vyazovskaya A.Yu., Eremeev SV, Ernst A., Echenique PM, Arnau A., Chulkov EV Unique Thickness-Dependent Properties of the van der Waals Interlayer Antiferromagnet MnBi2Te4 Films // Phys. Rev. Lett. - 2019. - 122. - 107202.

20. Dmitriev AI, Nikonov A.Yu., Shugurov AR, Panin AV Numerical study of atomic scale deformation mechanisms of polycrystalline titanium subjected to scratch testing // Applied Surface Science. - 2019. - V. 471. - P. 318-327.

21. Sinyakova E.A., Panin A.V., Perevalova O.B., Shugurov A.R., Kalashnikov M.P., Teresov A.D. The effect of phase transformations on the elastic recovery of pulsed electron beam irradiated Ti-6Al-4V titanium alloy during scratching // Journal of Alloys and Compounds. - 2019. - V. 795. - P. 275-283.

22. Panin AV, Kazachenok MS, Perevalova OB, Martynov SA, Panina AA, Sklyarova EA Continuous electron beam post-treatment of EBF ³ -fabricated Ti-6Al-4V pats // Metals. - 2019. - 9(6). - 699.

23. Panin AV, Shugurov AR, Kazachenok MS, Sergeev VP Improvement of Thermal Cycling Resistance of Al _x Si _1-x N Coatings on Cu Substrates by Optimizing Al/Si Ratio // Materials. - 2019. - 12(14). - 2249.

24. Shugurov A., Kuzminov E., Kasterov A., Panin A., Dmitriev A. Tuning of mechanical properties of Ti _1-x Al _x N coatings through Ta alloying // Surface & Coatings Technology. - 2020. - V.382. - 125219.

25. Eremeev SV, Shugurov AR Chemical bonding analysis in Ti _1-xy Al _x Ta _y N solid solutions // Surf. Coat. Technol. - 2020. - V. 395. - 125803.

26. Shugurov A.R., Panin A.V. Mechanical stresses in thin films and coatings // Technical Physics. - 2020. - T. 90. - 12. - S. 1971-1994.

27. Panin AV, Kazachenok MS, Sinyakova EA, Builuk AO, Martynov SA, Panin SV, Berto F. Improving mechanical properties of wire-based EBAM Ti-6Al-4V parts by adding TiC powders // Mat.Design Process Comm. - 2020. - 1-6.

28. Korchagin MA, Dudina DN, GavrilovA.I., Bokhonov BB, Bulina NV, Panin AV, Lyakhov NZ Combustion oftitanium-carbon black high-energy ball-milled mixtures in nitrogen: formation of titanium carbonitrides at atmospheric pressure // Materials 2020, 13, 1810;

29. Klimovskikh II, Otrokov MM, Estyunin D., Eremeev SV, Filnov SO, Koroleva A., Shevchenko E., Voroshnin V., Rybkin AG, Rusinov IP, Blanco-Rey M., Hoffmann M., Aliev ZS, Babanly MB, Amiraslanov IR, Abdullayev NA, Zverev VN, Kimura A., Tereshchenko OE, Kokh KA, Petaccia L., Santo G.Di, Ernst A., Echenique PM, Mamedov NT, Shikin AM, Chulkov EV Tunable 3D/2D magnetism in the (MnBi2Te4)(Bi2Te3)m topological insulators family // npj Quantum Materials. - 2020. - 5. - 54.

Resources

- atomic force microscope SMM 2000, Russia

- vibration magnetometer VM-23K, Russia

- stress meter in thin films FLX-2320-S Film Stress Measurement System, Japan

- installation for applying coatings and thin films using magnetron sputtering, Russia

- equipment for the additive production of metal products from wire and powder based on a modernized installation for electron beam welding 6E400, Russia

- equipment for the additive production of metal products from wire based on a modernized installation for electron beam welding ELU-5, Russia

- installation for pulsed high-frequency mechanical-electrophysical post-processing of metal products, Russia

Communication with universities

Doctor of Physical and Mathematical Sciences Panin A.V. and Doctor of Physical and Mathematical Sciences Koroteev Yu.V. give lectures and conduct practical classes for students of the Department of Experimental Physics of the Engineering School of Nuclear Technologies of the Federal State Autonomous Educational Institution of Higher Education "National Research Tomsk Polytechnic University".

Under the guidance of laboratory staff, students, undergraduates and graduate students of TSU and TPU carry out research work.

Public acceptance

Panin A.V. awarded certificates of honor from the Russian Academy of Sciences, the Presidium of the SB RAS, the Administration of the Tomsk Region, the mayor of Tomsk, etc. He is a laureate of the Academician. V.D. Kuznetsov of the Presidium of the SB RAS, the Charitable Foundation for the Promotion of Domestic Science, the State Duma of the Tomsk Region, the Administration of the Tomsk Region, etc.

A team of Belarusian and Siberian scientists, which includes A.V. Panin, won the Academician Valentin Koptyug Prize in 2020 for the series of works “Managing the inheritance of properties and ensuring the quality of materials and surfaces of products in resource-saving technologies.”

Eremeev S.V. awarded with gratitude from the Federal Agency of Scientific Organizations, certificates of honor from the Presidium of the SB RAS and the Administration of the Tomsk Region, the Tomsk Region Prize in the field of education, science, health and culture

Eremeev S.V., Koroteev Yu.M., Silkin V.M. are laureates of the International Academic Publishing Company "Science/Interperiodica" award for 2011 in the "Physics and Mathematics" section for a series of articles on the physics of topological insulators.

List of patents

Patent for invention No. 2716926 “Method of complex hardening treatment of a product made of titanium alloy Ti-6Al-4V, obtained by additive manufacturing” (authors: Panin A.V., Panin S.V., Martynov S.A., Buslovich D.G. ., Kazachenok M.S., Sinyakova E.A.), RF Patent, Application No. 2019134357/02(067758), Application filing date 10/28/2019. Registration date: 03/17/2020.