Study of Polycrystalline Metal Surface Treatment. Molecular Dynamics Simulation

AY Nikonov and AM Nikonova, PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON PHYSICAL MESOMECHANICS. MATERIALS WITH MULTILEVEL HIERARCHICAL STRUCTURE AND INTELLIGENT MANUFACTURING TECHNOLOGY, 2310, 020226 (2020).

DOI: 10.1063/5.0034151

The paper reports the molecular dynamics simulation results on the behavior of an iron crystallite in local frictional contact. The crystallite has perfect defect-free grains and contains a high-angle grain boundary of type Sigma 9. The influence of the initial structure on the specimen behavior under loading was analyzed. It was found that, depending on the orientation of the grain boundary with respect to the direction of loading, various processes of plastic deformation of the sample are possible, for example, recrystallization, grain-boundary slipping and moving of grain boundaries or the formation of structural defects, such as dislocations and vacancies.

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