【摘要】 选用合适势函数来描述系统内原子间的相互作用是进行分子动力学模拟的基础.本文概要回顾了历史上出现的各种原子间互作用势函数.对各种势模型的理论背景、具体形式、应用范围、特点进行了分析评述.更多还原

【Abstract】 Selecting appropriate interatomic potential to describe the interatomic interaction is the base of molecular dynamics (MD) computer simulation. In this paper, many representative interatomic potentials have been reviewed. We give a review of them about theoretic background, modality,specialty and application area.更多还原