A Molecular Dynamics Model for Studying the Influence of High Temperatures under Laser Irradiation on Changes in a BCC Crystal Structure

УДК 53.072: 544.171.44

  • A.N. Gostevskaya Siberian State Industrial University (Novokuznetsk, Russia) Email: gostevskaya_an@mail.ru
  • A.V. Markidonov Siberian State Industrial University (Novokuznetsk, Russia); Kuzbass Humanitarian Pedagogical Institute of Kemerovo State University (Novokuznetsk, Russia) Email: markidonov_artem@mail.ru
  • M.D. Starostenkov Polzunov Altai State Technical University (Barnaul, Russia) Email: genphys@mail.ru
  • V.K. Drobyshev Siberian State Industrial University (Novokuznetsk, Russia) Email: drobyshev_v.k@mail.ru
DOI_disc_logo https://doi.org/10.14258/izvasu(2023)4-03
Keywords: bcc crystal, molecular dynamics model, interface boundary, porosity

Abstract

The paper discusses the changes in the structures of BCC crystals subjected to high-temperature exposure. The interest in the study is explained by the processes occurring in the liquid surface layer and their subsequent impact on layer crystallization. They will further affect various physical and geometric characteristics of the material surface as a whole. The presented model helps observe the imperfections of the structure caused by the appearance of pores on the surface layers of the metal. The computational cell temperature in the designed model is distributed according to the solution of the linear problem of heat conduction. The model allows for revealing a surface layer continuity violation when the excess free volume localizes in the form of a group of spherical pores. The dimensions of such imperfections, as well as the duration of their existence, differ when modeling different laser radiation energy densities. Further research reveals the conditions for the pores to remain stable throughout the entire simulation time, as well as the relationship between the crystallographic orientation of the “solid-liquid” interphase boundary and the sizes of the formed pores” interphase boundary and the sizes of the pores formed. Keywords: bcc crystal, molecular dynamics model, interface boundary, porosity.

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Author Biographies

A.N. Gostevskaya, Siberian State Industrial University (Novokuznetsk, Russia)

аспирант кафедры естественно-научных дисциплин им. проф. В.М. Финкеля

A.V. Markidonov, Siberian State Industrial University (Novokuznetsk, Russia); Kuzbass Humanitarian Pedagogical Institute of Kemerovo State University (Novokuznetsk, Russia)

доктор физико-математических наук, доцент, заведующий кафедрой информатики и вычислительной техники им. В.К. Буторина

M.D. Starostenkov, Polzunov Altai State Technical University (Barnaul, Russia)

доктор физико-математических наук, профессор, заведующий кафедрой физики

V.K. Drobyshev, Siberian State Industrial University (Novokuznetsk, Russia)

младший научный сотрудник лаборатории электронной микроскопии и обработки изображений

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Published
2023-09-14
How to Cite
Gostevskaya A., Markidonov A., Starostenkov M., Drobyshev V. A Molecular Dynamics Model for Studying the Influence of High Temperatures under Laser Irradiation on Changes in a BCC Crystal Structure // Izvestiya of Altai State University, 2023, № 4(132). P. 27-32 DOI: 10.14258/izvasu(2023)4-03. URL: http://izvestiya.asu.ru/article/view/%282023%294-03.
Issue
No 4(132) (2023): Известия Алтайского государственного университета
Section
Физика

Copyright (c) 2023 Анастасия Николаевна Гостевская , Артем Владимирович Маркидонов , Михаил Дмитриевич Старостенков , Владислав Константинович Дробышев

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