Grain Boundary Sliding of Σ5(001) Twist Grain Boundary in Aluminium Bicrystal from First-Principles Calculations

摘要

The grain boundary γ-surface surface (the variation of the grain boundary energy during sliding) is calculated at Σ = 5 [001] twist grain boundary in aluminum to study the effect of the sliding direction on sliding characteristics of twist grain boundary at atomic level. The sliding behavior is more isotropical than that in tilt grain boundary. The energy peak of the grain boundary γ-surface is smaller than that of the γ-surface without the grain boundary.