Niナノクリスタル一軸変形挙動に及ぼす分子動力学ポテンシャルの相違の影響
2002 年 51 巻 2 号 p. 177-181
詳細
2002 年 51 巻 2 号 p. 177-181
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.
