Interaction potentials for soft and hard ellipsoids

被引:208
作者
Everaers, R [1 ]
Ejtehadi, MR [1 ]
机构
[1] Max Planck Inst Polymer Res, D-55021 Mainz, Germany
来源
PHYSICAL REVIEW E | 2003年 / 67卷 / 04期
关键词
D O I
10.1103/PhysRevE.67.041710
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
Using results from colloid science we derive interaction potentials for computer simulations of mixtures of soft or hard ellipsoids of arbitrary shape and size. Our results are in many respects reminicent of potentials of the Gay-Berne type but have a well-defined microscopic interpretation and no adjustable parameters. Since our potentials require the calculation of similar variables, the modification of existing simulation codes for Gay-Berne potentials is straightforward. The computational performance should remain unaffected.
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页数:8
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