Recoil growth: An efficient simulation method for multi-polymer systems

被引:47
作者
Consta, S
Wilding, NB
Frenkel, D
Alexandrowicz, Z
机构
[1] FOM, Inst Atom & Mol Phys, NL-1098 SJ Amsterdam, Netherlands
[2] Univ Edinburgh, Dept Phys & Astron, Edinburgh EH9 3JZ, Midlothian, Scotland
[3] Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel
关键词
D O I
10.1063/1.477844
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We present a new Monte Carlo scheme for the efficient simulation of multi-polymer systems. The method permits chains to be inserted into the system using a biased growth technique. The growth proceeds via the use of a retractable feeler, which probes possible pathways ahead of the growing chain. By recoiling from traps and excessively dense regions, the growth process yields high success rates for both chain construction and acceptance. Extensive tests of the method using self-avoiding walks on a cubic lattice show that for long chains and at high densities it is considerably more efficient than configurational bias Monte Carlo, of which it may be considered a generalization. (C) 1999 American Institute of Physics. [S0021-9606(99)51406-2].
引用
收藏
页码:3220 / 3228
页数:9
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