Effect of Interface on the Deformation of Aluminium Bicrystal: Atomistic Simulation Study

Molecular dynamic (MD) simulation has been conducted to study the effect of interface structure on the mechanical response of eight symmetric tilt grain boundaries in high stacking-fault Al. It is found that the grain boundaries with E structure unit (SU) have higher energy, but the grain boundary energy alone cannot be used as a parameter to determine the mechanical properties of grain boundary. The SUs, especially E units, do have an influence on the mechanical response of grain boundaries. Our results show that the dislocation imitates from E units preferably, but this depends on the dissociation at grain boundary.