Molecular dynamic study of peculiarities of plastic deformation of anisotropic crystals.

In this work, the study of the regularities of shear deformation in the bulk of fcc single crystals was carried out on the basis of molecular dynamics modeling. The deformation (010) of single crystals in the form of a tetragonal prism with lateral faces {101} and {100} with different ratios of the sample width to its height has been studied. Modeling has shown that the sample vertices are the preferred sites for shear initiation. It was found that the formation of deformation domains and the interaction of shear planes are due to the geometry of shear planes in the bulk of the single crystal: their location relative to the base stress concentrators and their orientation relative to the lateral faces. [ABSTRACT FROM AUTHOR]