Molecular dynamical investigation on plastic behavior of Cu(100) twist-grain boundary under shear load

Abstract

By using molecular dynamics with EAM potential, yield strength of copper column with (100) twist grain boundary and twist grain boundary effect are investigated under shear load. The results reveal that dislocations nucleate at the misfit dislocation network of low-angle twist grain boundary and dislocations stacking influence the yield strength of copper column. For high-angle twist grain boundary, twist grain boundary sliding decreases the yield stress of copper column. Meanwhile it is found that, with increasing twist angle, copper column yielding strength increases firstly. When twist angle reaches the critical value, the yielding strength decreases with increasing twist angle. It is concluded that different mechanisms mediate the yielding of copper column. Dislocation nucleation controls the yield stress of copper column for low-angle twist grain boundary and yielding of copper column is dominated by grain boundary sliding for high-angle twist grain boundary.