采用分子动力学方法模拟压缩变形条件下单晶钛内部球形纳米空洞的演化过程。结果显示:在压缩变形条件下,达到临界压应力12GPa时空洞周围发射位错,并且位错沿密排面移动。位错伴随着层错带产生,通过位错的产生和运动,球形空洞逐渐变小,最后消失。空洞消失后,晶体中分布着位错网和分散型空穴。正是由于位错的产生、运动和湮灭,使得空洞由于原子迁移扩散而被填充,这是纯钛内部纳米空洞压实愈合的根本原因。 Molecular dynamics simulation was used to simulate the evolution of spherical hollow nanospheres in single crystal titanium under compressive deformation. The results show that when compressive deformation is reached, a critical compressive stress of 12GPa is reached to launch dislocations around the cavity and the dislocations move along the dense surface. Dislocations are accompanied by the formation of fault zones. By the generation and movement of dislocations, spherical voids gradually become smaller and finally disappear. After voids disappear, dislocation nets and scattered holes are distributed in the crystal. It is because of dislocation generation, movement and annihilation, making the cavity is filled due to atom migration and diffusion, which is the pure titanium nanocavity compaction healing fundamental reason.