摘要: The molecular dynamics method has been used to simulate mode I cracking in Ni3Al. Close attention paid the process of atomic configuration evolution cracks. simulation results show that at low temperature, Shockley partial dislocations are emitted before initiation crack propagation, subsequently forming pseudo-twins on (11 (1) over bar) planes crack-tip zone, and then cleavage occurs. emitting accompanies during process. At higher blunting tip is caused by [110] superdislocations (100) plane. present work also shows dipole 1/2[110] dislocation core can be formed.