Molecular dynamics and statics simulations were used to study grain boundary sliding and energy in bicrystals of Al and Mg-doped Al with symmetrical tilt grain boundaries. There was an increase in grain boundary energy in Al bicrystals, with the addition of Mg, depending on the position of the Mg atom. Simulations of sliding revealed a clear dependence of the magnitude of sliding upon the grain boundary energy.

Atomistic Simulation of Grain Boundary Sliding in Pure and Magnesium-Doped Aluminium Bicrystals. S.Namilae, N.Chandra, T.G.Nieh: Scripta Materialia, 2002, 46[1], 49-54