Shock-induced breaking in the gold nanowire with the influence of defects and strain rates

Abstract

Defects in metallic nanowires have raised concerns about the applied reliability of the nanowires in nanoelectromechanical systems. In this paper, molecular dynamics simulations are used to study the deformation and breaking failure of the [100] single-crystal gold nanowires containing defects at different strain rates. The statistical breaking position distributions of the nanowires show mechanical shocks play a critical role in the deformation of nanowires at different strain rates, and deformation mechanism of the nanowire containing defects is based on a competition between shocks and defects in the deformation process of the nanowire. At low strain rate of 1.0% ps⁻¹, defect ratio of 2% has changed the deformation mechanism because micro-atomic fluctuation is in an equilibrium state. However, owing to strong symmetric shocks, the sensitivity of defects is not obvious before a defect ratio of 25% at high strain rate of 5.0% ps⁻¹.