The directional contact distance of two ellipsoids: Coarse-grained potentials for anisotropic interactions
The directional contact distance of two ellipsoids: Coarse-grained potentials for anisotropic interactions
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DOI：
10.1063/1.2102897
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发表时间：
2005-11-15
影响因子：
4.4
通讯作者：
Yaliraki, SN
中科院分区：
文献类型：
--
作者：
Paramonov, L;Yaliraki, SN
我们得到了任意两个椭球体的曲面在任意方向上的最近逼近距离，以及沿它们的中心间向量测量的间隔。这个方向距离是从椭圆接触函数推导出来的。阐明了这种方法背后的几何意义。基于这个距离，提出了一种椭圆对势，用于模拟任意椭圆形粒子的混合物，无论是硬的还是软的。讨论了与Gay-Berne势的比较。给出了作用在椭圆质点上的力和力矩的解析表达式。
We obtain the distance of closest approach of the surfaces of two arbitrary ellipsoids valid at any orientation and separation measured along their intercenter vector. This directional distance is derived from the elliptic contact function. The geometric meaning behind this approach is clarified. An elliptic pair potential for modeling arbitrary mixtures of elliptic particles, whether hard or soft, is proposed based on this distance. Comparisons with Gay-Berne potentials are discussed. Analytic expressions for the forces and torques acting on the elliptic particles are given.