The molecular dynamic (MD) model for the single crystal aluminum at the temperature of 300 K is established based on user-defined FORTRAN functionin LAMMPS,where the atomic interactionis described through embedded atom method (EAM). From the stress-strain curve, atomic configurations and phase transformation, corresponding to the critical points at which are also figured. Common Neighbor Analysis (CNA) is used to express the evolution of phase transformation, the mechanical properties are illustrated. It proves that the dislocation is the main cause of plastic deformation of the single crystal aluminum, and that interaction dislocation contributes most to the plastic hardening and the crystal failure, which agrees well with the conclusions predicated by the theory of FCC slips along the [111] crystal face.
参考文献
相似文献
引证文献
引用本文
王路生,丁军,陈松,黄霞,宋鹍.拉伸载荷作用下单晶铝柱动态断裂过程的分子动力学模拟研究[J].机床与液压,2017,45(24):90-95. . Molecular dynamics simulation for dynamic failure process of single crystal aluminum column under tension[J]. Machine Tool & Hydraulics,2017,45(24):90-95