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  1. 2024

  2. A first principles investigation of defect energetics and diffusion in actinide dioxides

    Singh, S., Sonvane, Y., Nekrasov, K. A., Kupryazhkin, A. Y., Gajjar, P. N. & Gupta, S. K., 2024, In: Journal of Nuclear Materials. 591, 154901.

    Research output: Contribution to journal › Article › peer-review

  3. 2023

  4. Effect of pressure on mechanical and optical properties of ThO2 and PuO2

    Singh, S., Sonvane, Y., Nekrasov, K. A., Kupryazhkin, A. Y., Gajjar, P. N. & Gupta, S. K., Feb 2023, In: Journal of the American Ceramic Society. 106, 2, p. 1062-1073 12 p.

    Research output: Contribution to journal › Article › peer-review

  5. 2022

  6. Systematic investigation of electronic, mechanical and optical properties of UO2 at higher pressure: A DFT+U+SOC study

    Singh, S., Sonvane, Y., Nekrasov, K. A., Boyarchenkov, A. S., Kupryazhkin, A. Y., Gajjar, P. N. & Gupta, S. K., Oct 2022, In: Solid State Sciences. 132, 106968.

    Research output: Contribution to journal › Article › peer-review

  7. A mechanism of cation diffusion in ThO2nanocrystal bulk. A molecular dynamic simulation

    Seitov, D. D., Pitskhelaury, S. S., Nekrasov, K. A., Boyarchenkov, A. S. & Kupryazhkin, A. Y., 10 Jun 2022, VIII International Young Researchers'' Conference - Physics, Technology, Innovations, PTI 2021. Volkovich, V. A., Kashin, I. V., Smirnov, A. A. & Narkhov, E. D. (eds.). American Institute of Physics Inc., 030040. (AIP Conference Proceedings; vol. 2466).

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

  8. A mechanism of intrinsic ion diffusion in un and UC nanocrystals bulk. A molecular dynamic simulation

    Pitskhelaury, S. S., Seitov, D. D. & Nekrasov, K. A., 10 Jun 2022, VIII International Young Researchers'' Conference - Physics, Technology, Innovations, PTI 2021. Volkovich, V. A., Kashin, I. V., Smirnov, A. A. & Narkhov, E. D. (eds.). American Institute of Physics Inc., 030004. (AIP Conference Proceedings; vol. 2466).

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

  9. 2021

  10. Ab-initio investigation of crystal structure and pressure induced phase transition in ThO2 and PuO2

    Singh, S., Sonvane, Y., Nekrasov, K. A., Boyarchenkov, A. S., Kupryazhkin, A. Y., Gajjar, P. N. & Gupta, S. K., Sept 2021, In: Materials Today Communications. 28, 8 p., 102579.

    Research output: Contribution to journal › Article › peer-review

  11. Atomistic investigations of melting characterization in metallic nanostructures

    Shah, N., Nekrasov, K. A., Gupta, S. K., Gajjar, P. N. & Boyarchenkov, A. S., May 2021, In: Surface Science. 707, 9 p., 121803.

    Research output: Contribution to journal › Article › peer-review

  12. Diffusion of oxygen in hypostoichiometric uranium dioxide nanocrystals. A molecular dynamics simulation

    Nekrasov, K. A., Galashev, A. E., Seitov, D. D. & Gupta, S. K., 2021, In: Chimica Techno Acta. 8, 1, 20218107.

    Research output: Contribution to journal › Article › peer-review

  13. 2020

  14. A comparison of inter-particle potentials for molecular dynamic simulation of the impact of collision cascades on xenon bubbles in plutonium dioxide

    Seitov, D. D., Pitskhelaury, S. S., Nekrasov, K. A. & Kupryazhkin, A. Y., 9 Dec 2020, VII International Young Researchers'' Conference - Physics, Technology, Innovations, PTI 2020. Volkovich, V. A., Kashin, I. V., Smirnov, A. A. & Narkhov, E. D. (eds.). American Institute of Physics Inc., 5 p. 070003. (AIP Conference Proceedings; vol. 2313).

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

  15. A novel empirical potential for high-temperature molecular dynamics simulation of ThO2 and Mox nuclear fuel crystals

    Boyarchenkov, A. S., Nekrasov, K. A., Kupryazhkin, A. Y. & Gupta, S. K., 9 Dec 2020, VII International Young Researchers'' Conference - Physics, Technology, Innovations, PTI 2020. Volkovich, V. A., Kashin, I. V., Smirnov, A. A. & Narkhov, E. D. (eds.). American Institute of Physics Inc., 6 p. 030064. (AIP Conference Proceedings; vol. 2313).

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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