Anton Boev

Current projects:

• Search for new materials of gas electrodes for lithium and sodium-oxygen batteries: predictive computer simulation and experimental verification
• Computational study of Li-rich cathode materials
• Computational study of ionic conductivity in solid electrolytes for solid-state batteries.
• Calculation of Li diffusion barriers and diffusion coefficients in the bulk, at grain boundaries, and at interfaces of solid electrolytes with density functional theory and molecular dynamics.

Past projects:

• Search for low swelling vanadium alloys using computer simulation
• Construction of  binary interatomic potentials  for molecular dynamics simulation
• Cu/Nb nanolaminates study

Development: 

• Python-based manager for first-principles calculations SIMAN

Personal online-courses for students:

Atomistic modeling in materials science (Webinar)

Nanocoatings and layered metallic nanostructures

My profile in Google Scholar

List of planned publications in 2021

• Boev A.O., Aksyonov D.A. et. al. Computational study of surface segregation in layered(Li,Na)CoO2 oxides. (preparing for submission)

List of published articles

2021

1. Boev A.O., Fedotov S.S., Stevenson K.J., Aksyonov D.A.  High-throughput computational screening of cathode materials for Li-O2 battery / Computational Materials Science. – 2021.
2. Boev A.O., Fedotov S.S., Abakumov A.M., Stevenson K.J., Henkelman G., and Aksyonov D.A. The role of antisite defect pairs in surface reconstruction of layered AMO2 oxides: ADFT+U study / Applied Surface Science. – 2021. – C. 147750.  IF = 6.182
3. Boev, A. O., Nelasov, I. V., Lipnitskii, A. G., Kartamyshev, A. I., & Aksyonov, D. A. Self-point defect trapping responsible for radiation swelling reduction in V–Ti alloys //Solid State Communications. – 2021. – Т. 329. – С. 114252.
4. Gazizov M. R., Boev A. O., Marioara, C. D., Andersen, S. J., Holmestad, R., Kaibyshev, R. O., Aksyonov D.A., Krasnikov, V. S. The unique hybrid precipitate in a peak-aged Al-Cu-Mg-Ag alloy //Scripta Materialia. – 2021. – Т. 194. – С. 113669. IF = 5.079
5. Vershinina T. N., Bobrikov, I. A., Sumnikov, S. V., Boev, A. O., Balagurov, A. M., Mohamed, A. K., & Golovin, I. S. Crystal structure and phase composition evolution during heat treatment of Fe-45Ga alloy //Intermetallics. – 2021. – Т. 131. – С. 107110. IF = 3.398
6. Leineweber A., Becker, H., Boev, A., Bobrikov, I. A., Balagurov, A. M., & Golovin, I. S. Fe13Ga9 intermetallic in bcc-base Fe–Ga alloy //Intermetallics. – 2021. – Т. 131. – С. 107059. IF = 3.398

2020

1.  Boev A.O., Poletaev D.O., Kartamyshev A.I., Boeva M.V., Vershinina T.N. Influence of Mo10Ni3C3B phase on hardness and fracture toughness of Mo-Ni-C-B cermet: an experimental and theoretical study / Letters on materials, 2020, 10(4) 387-391
2.  Kartamyshev A. I., Lipnitskii A. G., Boev A.O., Nelasov I., Maksimenko V. N., Aksyonov D. A., Nguyen T. K. Angular dependent interatomic potential for Ti–V system for molecular dynamics simulations //Model. and Simul. in Mat. Sci. and Eng. – 2020. – T. 28. – 5.
3.  Vershinina T. N., Boev A. O., Ivanov M. B. Crystal structure of a new Mo10Ni3C3B phase//Vacuum. – 2020. – C. 109034.

2019

1. Boev A.O., Zolnlkov K.P., Nelasov I.V., Lipnitskii A.G. Molecular dynamics simulation of primary radiation damage in vanadium and alloy V-4Ti //Journal of Physics: Conference Series.– IOP Publishing, 2019. – T. 1147. – No. 1. – C. 012087.

2018

1. Boev A.O., Zolnikov K.P., Nelasov I.V., Lipnitskii A.G. Molecular dynamics simulation of primary radiation damage in vanadium and alloy V-4Ti /Journal of Physics: Conference Series.– AIP Publishing, 2018. – T. 8. – No.3. – C. 263-267.

2017

1. Boev A.O., Aksyonov D.A., Kartamyshev A.I., Maksimenko V.N., Nelasov I.V., LipnitskiiA.G. Interaction of Ti and Cr atoms with point defects in bcc vanadium: A DFT study /Journal of Nuclear Materials, 2017, Vol. 492, P. 14-21
2. Boev, A.O., Nelasov, I.V., Maksimenko, V.N., Lipnitskii, A.G., Saveliev, V.N., Kartamyshev, A.I. Molecular Dynamics Simulations of the Excess Vacancy Evolution in V and V-4Ti / Defect and Diffusion Forum. – Trans Tech Publications, 2017. – T. 375. – C. 153-166.
3. Boev, A. O., Lipnitskii, A. G., Nelasov, I. V., Saveliev, V. N., Kartamyshev, A. I., Maksimenko, V. N., Zolnikov, K. P. Molecular dynamic simulations of the interaction of interstitial atoms with vacancy complexes in V and V-4Ti /AIP Conference Proceedings, 2017. – T. 1909. – 1.

08.2019

Candidate of Sciences in Physics and Mathematics (PhD), Laboratory of Theoretical investigations and Computer simulation, Belgorod State University, Belgorod, Russia

Topic: Effect of alloying on the radiation swelling of vanadium alloys

06.2015

Specialist in the field of nanomaterials, Diploma with distinction(GPA 5.00), Belgorod State University, Belgorod, Russia

Topic: Description of the interaction between atoms in Ti-V binary system

Scholarships

• 9.2018 – 9.2019 Scholarship of the Russian Federation Government for young scientists
• 9.2018 – 9.2019 Scholarship of the Belgorod governor for young scientists
• 9.2017 – 9.2018 Scholarship of the Belgorod governor for young scientists
• 9.2016 – 9.2017 Scholarship of the Belgorod governor for young scientists
• 9.2014 – 9.2015 Scholarship of the Russian Federation President for young scientists
• 9.2012 – 9.2013 Scholarship of the Russian Federation President for young scientists
• 9.2011 – 9.2012 Scholarship of the Russian Federation Government for young scientists

Honours and Awards

2018 The second-degree winner of All-Russian Olympiad “Nanotechnology – a breakthrough into the future”

2015 The winner of the “3K Olympiad” in the area of Metallurgy

2015 The second-degree winner of innovative projects within the framework of the international exhibition-congress “High technologies. Innovation. Investments “for the project” Portable aromatherapy device with microcontroller”

2015 The winner of «Student-Researcher» contest, Belgorod State University