Rejection-free geometric cluster algorithm for complex fluids

被引:118
作者
Liu, JW [1 ]
Luijten, E [1 ]
机构
[1] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA
基金
美国国家科学基金会;
关键词
D O I
10.1103/PhysRevLett.92.035504
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present a novel, generally applicable Monte Carlo algorithm for the simulation of fluid systems. Geometric transformations are used to identify clusters of particles in such a manner that every cluster move is accepted, irrespective of the nature of the pair interactions. The rejection-free and nonlocal nature of the algorithm make it particularly suitable for the efficient simulation of complex fluids with components of widely varying size, such as colloidal mixtures. Compared to conventional simulation algorithms, typical efficiency improvements amount to several orders of magnitude.
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页数:4
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