Molecular dynamic simulation of stress evolution analysis in Cu nanowire under ultra-high strain-rate simple tension

Abstract

This study analyses the behaviour of atoms associated with the propagation of stress waves in Cu nanowires (NWs) during uniaxial tensile deformation using molecular dynamic simulation. Maximum local stress (MLS) and virial stress (VS) methods are adopted to express dynamic stress in ⟨100⟩ Cu NWs under tension. Simulation results indicated that the VS method enhances the averaging effect at ultra-high strain rates (above 1010 s−1), leading to serious undervaluation of yield stress. However, the MLS method provides superior prediction results for the dynamic mechanical responses of NWs under tension at the ultra-high strain rate than does the VS. At a strain rate of 7 × 1010 s−1, the double-peak stress phenomenon was observed in the stress–strain curve using the MLS method. The response time (Trs) to wave propagation, observed at an ultra-high strain rate, is responsible for the accumulation of the elastic stress that is applied at the beginning of tensile loading in a short period, producing the first stress peak. Following plastic deformation, the encounter of the wavefronts with the reduced tensile stress causes the fully constructive interference effect in the middle of the tensile NWs, producing the second stress peak. The results explain the dynamic mechanical behaviour of NWs, contributing to future applications of subsonic manufacturing.