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Modeling by a Molecular Dynamics Method of Structural Changes of a BCC Metal Surface Layer with Short-Term High-Energy External Action

  • CHEMICAL HEAT TREATMENT AND COATINGS
  • Published:
Metal Science and Heat Treatment Aims and scope

Results of molecular-dynamic simulation of structural changes in the surface layer of a design cell of a BCC-crystal under short-term high-energy action are presented. A spatial model where the temperature of the design cell is distributed in accordance with the solution of a linear problem of heat conduction makes it possible to detect disruption of surface layer continuity, including localization of excess free volumes in the form of spherical pores. Dimensions of these imperfections and the time of their existence differ during modeling of laser radiation with different energy density. Conditions are revealed for pore stability during the whole simulation period and a relationship between crystallographic orientation of the “solid – liquid” interphase boundary and sizes of pores formed is determined.

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Authors and Affiliations

  1. Kuzbass Humanitarian Pedagogical Institute of the Kuzbass State University, Novokuznetsk, Russia

    A. V. Markidonov

  2. I. I. Polzunov Altai State Technical University, Barnaul, Russia

    M. D. Starostenkov

  3. Siberian State Industrial University, Novokuznetsk, Russia

    A. N. Gostevskaya

  4. T. F. Gorbachev branch of the Kuzbass State Technical University, Prokop’evsk, Russia

    D. A. Lubyanoy

  5. Peter the Great St. Petersburg Polytechnic University, St. Petersburg, Russia

    P. V. Zakharov

Authors
  1. A. V. Markidonov
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  2. M. D. Starostenkov
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  3. A. N. Gostevskaya
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  4. D. A. Lubyanoy
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  5. P. V. Zakharov
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Corresponding author

Correspondence to A. N. Gostevskaya.

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Translated from Metallovedenie i Termicheskaya Obrabotka Metallov, No. 5, pp. 16 – 21, May, 2022.

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Markidonov, A.V., Starostenkov, M.D., Gostevskaya, A.N. et al. Modeling by a Molecular Dynamics Method of Structural Changes of a BCC Metal Surface Layer with Short-Term High-Energy External Action. Met Sci Heat Treat 64, 258–263 (2022). https://doi.org/10.1007/s11041-022-00796-9

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  • DOI: https://doi.org/10.1007/s11041-022-00796-9

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