CRSS of Mg-X(X=Zn, Y) Binary Solid Solution via First-Principles Study

Abstract

To investigate the deformation behavior of Mg-X(X=Zn, Y) binary solid solution, the strain-stress curve of crystal cell along [0001] for Mg-1.85at.%X(X=Zn, Y) alloy were simulated using first-principles calculations in this study. The simulation presents directly the critical resolved shear stress for pyramidal plane slip systems for Mg-1.85at.%X(X=Zn, Y) alloy. The results show that the minimum critical resolved shear stress (CRSS) of Mg, Mg-1.85at. %Zn and Mg-1.85at. %Y for pyramidal plane slip systems is 2.24, 2.72, 2.96 GPa respectively.