The deformation behaviors of silver nanowires including 3D defects under tension

Using molecular-dynamic (MD) simulation, we investigated the mechanical responses of 〈1 0 0〉 and 〈1 1 0〉 silver nanowires (NWs) with closed cracks for tensile deformations. The investigation designs different radius of closed cracks inside of the NWs and studies the influence of the cracks on the yield stress, deformation mechanism, and dislocation emission. The embedded-atom-method (EAM) potential is employed to describe the atomic interactions. To identify the defects evolution and deformation mechanism, a centrosymmetry parameter is defined and implemented in the self-developed program. A detailed discussion of deformation behaviors on the dependence of the Poisson's ratios has been presented. The simulations show that the 〈1 1 0〉 Ag NW is more sensitive to the crack under tensile loading. The study on the incipient plastic deformation will be helpful to further understanding of the mechanical properties of nanomaterials.