Vacancy cluster effects on the behaviors of mechanical stretching of Au nanowires

Extensive atomistic simulations of the mechanical deformation of defective nanowires (NWs) were performed using the embedded-atom molecular dynamics modeling approach. The investigation focuses on the coupled effects of various vacancy cluster (VC) defects, operation temperature, and wire cross-sectional area on the mechanical properties and plastic deformations of defective NWs. The stress-strain behaviors show that the elastic modulus is independent of the vacancy cluster defects. Quasi-linear decreasing Young's moduli were observed with increasing operation temperature. For a given operation temperature, NW Young's modulus increased with increasing NW size.