An Atomistic Study on the Slip Deformation Mechanism of Crystalline Materials Using a Weak-Plane Model

摘要

Molecular dynamics simulations were carried out to investigate the plastic deformation mechanism of fcc crystalline materials using the conventional Lennard-Jones potential. An fcc structure with square cross-section was prepared, and a tensile load was applied in the longitudinal direction. A weak potential was assigned to a specific (111) plane to induce a slip on the specified plane. Accordingly, a slip was initiated in the weak plane following an elastic deformation. The step-by-step motion of the atoms on the slip plane was studied, and a detailed trajectory is presented. The slip then expanded to other planes, and plastic deformation progressed in the whole model. The weak plane was also set as (110) or (100) plane, where different deformation modes were observed: not only slip but also gradual distortion or brittle fracture occurred.