Simulation on tensile mechanical properties of single crystal copper nanostructures with different hole configurations

In this paper, the tension process of the single crystal copper nanostructures with holes was simulated by the large-scale parallel molecular dynamics simulation technique. Based on centrosymmetry parameter method and combined with the dislocation nucleation theory, the effects of holes configuration and holes number on the tensile deformation mechanisms of nanostructures were investigated, and thus their influences on tensile mechanical properties of nanostructures were revealed. Obtained results show that hole defects configuration affect the anisotropy of nanostructures. With the same total volume of holes, holes configuration and holes number alter the atoms arrangement near holes which lead to different patterns of holes defect evolution, and thus affect the mechanical properties of nanostructures in terms of dislocations activity.