摘要
本文引入Adams方法用于求解分子动力学模拟中的藕合动力学方程.模拟所得的液体氩的径向分布函数与实验值吻合很好.
Adams’ method was employed to solve the coupled dynamic equations in molecular dynamics simulation. The radial distribution function of liquid Argon simulated was in complete accord with which measured by the experiment.
作者
商志才
Shang Zhicai(Department of Chemistry and Biology)
关键词
分子动力学
Adams算法
液体
氩
molecular dynamics simulation
radial distribution function
Adams algorithm
