摘要
对4000个铜原子组成的面心立方晶体进行了近似冲击波的模拟,发现对完整晶体在一定的范围内,冲击波的强弱、外界的温度对晶体结构的影响都不大;加入少许的点缺陷后,晶体内部的应力和能量相对完整晶体变化并不显著,从而说明在考虑系统的状态方程时将带有少量点缺陷的晶体近似为理想晶体的做法是可行的.
The system of 4000 atoms is simulated in shock waves. We find the intensity of shock wave,temperature affect faintly the structure of perfect crystal in a limited range. The pressure and energy of the crystal with some point defects vary little. That is to say the method which looks crystal with a few point defects as perfect one is viable when we study state function of the system, but point defects affect much radial distribution functions.
出处
《聊城大学学报（自然科学版）》
2005年第2期26-28,共3页
Journal of Liaocheng University:Natural Science Edition
关键词
分子动力学
冲击波
点缺陷
molecular dynamics, shock wave, point defects
