Molecular dynamics study of dislocation formation in a [001] face-centered-cubic epitaxial island under tensile stress

The study of nucleation mechanism of dislocations in the (001) homoepitaxial Cu islands under biaxial strain by molecular dynamics (MD) was discussed. Different island sizes and aspect ratios (AR) were used to study the nucleation mechanisms of dislocations in the island strain relaxation. It was found that relaxation of the island is dominated by 90° Shockley partial dislocations, and the sites and critical strains for dislocation nucleation are dependent on the island size and AR. It was also found that dislocations can be introduced into the island sequentially and co-operatively.