Molecular dynamics simulation of copper bicrystal response to shear loading

The behavior of a large-angle grain boundary of the Σ = 5 (210)[001] special type in a copper bicrystal under shear loading conditions has been computer simulated. It is established that, simultaneously with the relative slippage of grains in the direction of applied load, the grain boundary shifts in the direction perpendicular to that of shear straining. This motion of the grain boundary exhibits a discrete character and leads to a growth of one grain at the expense of another. The mechanism of this displacement is analyzed and the influence of the loading rate and direction on the character of grain boundary motion is studied. The obtained results provide better understanding of the atomic mechanisms of plastic strain development in polycrystalline materials.