MOLECULAR DYNAMIC MODELING STRUCTURAL CHANGES IN THE BCC CRYSTAL AT THE NANOSCALE DURING LASER ABLATION
Abstract
When exposed to high temperature, the structure of metals and their alloys changes. The study of the effect of high temperatures on changes in the structure of the structure of a solid has a number of disadvantages (changes in the properties and structure of materials). The study of the structure of metals at the nanoscale using real experiments is difficult because of the particle sizes. The use of computer modeling methods to study and study the effects of high temperatures on the atomic mechanisms of BCC crystal changes allows us to investigate problems that are difficult to solve experimentally. Conducting research by computer modeling is the most rational. Atomistic modeling of structure ablations occurring during irradiation of materials by femto- and picosecond laser pulses has been carried out. The method of molecular dynamics was chosen as the research method. Using a computer model, the influence of the laser ablation process on the change in the internal structure of materials was studied using computer modeling (molecular dynamics method). A model of molecular dynamics is constructed, which allows to study the process of ablation. The proportion of ejected particles as a result of heating is estimated. It is determined that during the heating and cooling of the system, the distribution of such particles is close to normal.
About the Authors
Anastasia N. Gostevskaya
Siberian State Industrial University
Russian Federation
Russian Federation
Postgraduate student of the Department of Natural Sciences named after
Professor V.M. Finkel
Artem V. Markidonov
Kuzbass Humanitarian and Pedagogical Institute of
Kemerovo State University
Ph.D., Associate Professor, Head of the Department of IVT im. Butorina
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Review
For citations:
Gostevskaya A., Markidonov A. MOLECULAR DYNAMIC MODELING STRUCTURAL CHANGES IN THE BCC CRYSTAL AT THE NANOSCALE DURING LASER ABLATION. Bulletin of the Siberian State Industrial University. 2022;(2):3-9. (In Russ.)
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