Structural stability and mechanical properties of Ni nanowires under different orientation and size

摘要

Molecular dynamics simulations based upon embedded-atom-method potential are employed to study the structural stability and mechanical properties of Ni nanowires as a function of radius size along <001> <110> and <111> crystallographic directions. We also construct <110> {111} wires whose cross section show diamond shape to make comparison with others. The finding reveals that <110> {111} wires exhibit the lowest per atomic energy after full time of relaxation. The mechanical properties of various nanowires are tested by tensile process to determine their elastic module and yield stress versus radius size. Slipping happens in <001> wires; Twinning deformation is observed in <110> wires; <111> wires are transformed to <110> wires with increasing of strain during loading process. The elastic module, yield strain as well as yield stress of all wires as a function of radius size are also studied to explore their deformation behaviors.