Extension and generalization of the Gay-Berne potential

被引:192
作者
Cleaver, DJ
Care, CM
Allen, MP
Neal, MP
机构
[1] SHEFFIELD HALLAM UNIV, INST MAT RES, SHEFFIELD S1 1WB, S YORKSHIRE, ENGLAND
[2] HH WILLS PHYS LAB, BRISTOL BS8 1TL, AVON, ENGLAND
[3] UNIV DERBY, DEPT MATH, DERBY DE22 1GB, ENGLAND
关键词
D O I
10.1103/PhysRevE.54.559
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
In this paper, we report a generalized form for the range parameter governing the pair interaction between soft ellipsoidal particles. For nonequivalent uniaxial particles, we extend the Berne-Pechukas Gaussian overlap formalism to obtain an explicit expression for this range parameter. We confirm that this result is identical to that given by an approach that is not widely recognized, based on an approximation to the Perram-Wertheim hard-ellipsoid contact function. We further illustrate the power of the latter route by using it to write down the range parameter for the interaction between two nonequivalent biaxial particles. An explicit interaction potential for nonequivalent uniaxial particles is obtained by importing the uniaxial range parameter result into the standard Gay-Berne form. A parametrization of this potential is investigated for a rod-disk interaction.
引用
收藏
页码:559 / 567
页数:9
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