Investigate mechanical behavior of gold nanowire with defect

This study aims to investigate the mechanical properties of gold nanowires using molecular dynamics (MD) simulation. The effects of the cross section size and the defects on the stress strain curves of the nanowires are examined. Moreover, the inception as well as the processing of dislocationin the nanowire is accounted by means of the centro-symmetry parameter and meanwhile, the energy variation during the dislocation is calculated. Results indicated for the pristine gold nanowire, as the cross section size increases, Young's modulus increases, but the yielding stress decreases accordingly. Once the ultimate linear point is attained, the dislocation takes place abruptly from the nanowire surfaceand extended along the {111} planes. On the other hand, for the nanowire with defect, it was found that the dislocation is initiated from the defect which can significantlyreduce the yielding stress of the nanowires.