Atomistic simulation of grain boundary sliding in pure and magnesium doped aluminum bicrystals

Abstract

Molecular dynamics and statics simulations are used to study grain boundary sliding and energy in bicrystals with symmetric tilt grain boundaries of Al and Mg doped Al. There is an increase in grain boundary energy in Al bicrystals with the presence of Mg depending on the position of Mg atom. Simulations of sliding show a clear dependence of magnitude of sliding on grain boundary energy.