Abstract
Molecular dynamics simulation of nickel single nanocrystal composed of 1550 atoms in the uniaxial tensile and compressive deformation was performed using three kinds of potentials (Morse, Finnis-Sinclair and EAM potential) to investigate the effect of potential on the deformation mode. The effect of potential was observed under tensile loading; phase transformation (fcc→hcp) occurred above the elastic limit of elongation in the case of Morse and Finnis-Sinclair potential, and (111) [101] slip was observed in the case of EAM potential. Similar development of twin deformation, (111) [112], was observed in all the cases under compressive loading.
