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

• Published in: Metal science and heat treatment Vol. 64; no. 5-6; pp. 258 - 263
• Main Authors: Markidonov, A. V., Starostenkov, M. D., Gostevskaya, A. N., Lubyanoy, D. A., Zakharov, P. V.
• Format: Journal Article
• Language: English
• Published: New York Springer US 01.09.2022; Springer; Springer Nature B.V
• Subjects: Analysis; BCC metals; Characterization and Evaluation of Materials; Chemical Heat Treatment and Coatings; Chemistry and Materials Science; Classical Mechanics; Conduction heating; Conductive heat transfer; Crystallography; Engineering Thermodynamics; Heat and Mass Transfer; Materials Science; Metal surfaces; Metallic Materials; Methods; Modelling; Molecular dynamics; Surface layers; surface; crystal; pore; interphase boundary; temperature; model; melting
• ISSN: 0026-0673; 1573-8973
• DOI: 10.1007/s11041-022-00796-9

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.