六次指数势的正则系综分子动力学模拟  

The Molecular Dynamics Method of Computer Simulation with the Exponential-Six Form of Intermolecular Potential in a Canonical Ensemble

作　　者：王志刚[1] 刘文森[1] 

机构地区：[1]山西大学物理系,山西太原030006

出　　处：《山西大学学报（自然科学版）》2000年第4期322-326,共5页Journal of Shanxi University(Natural Science Edition)

摘　　要：用分子动力学方法模拟正则系综中高密度氢在六次指数势作用下的动力学行为 ,考察了系统动能、势能和总能量随模拟时间步的变化关系。In the present paper the molecular dynamics method of computer simulation is performed in a canonical ensemble by using an effective pair potential of the exponential six form for hydrogen at very high density.The interrelations between the reduced kinetic energy,potetial energy,total energy of the system and the time steps of simulation are studied respectively.

关 键 词：分子动力学 六次指数势 计算机模拟 统计物理 

分 类 号：O414.2[理学—理论物理]