Dynamic Monte Carlo simulation of polymers: Cooperative move algorithm

被引:2
|
作者
Qin, Y [1 ]
Liu, HL [1 ]
Hu, Y [1 ]
机构
[1] E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China
关键词
Monte Carlo simulation; polymer; dynamics;
D O I
10.1080/0892702031000103185
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
If the elementary move is carefully chosen, the Monte Carlo process can be used to simulate the dynamics of the polymers in a coarse-grained sense. It is generally believed that only local move algorithms, for example, generalized Verdier-Stockmayer algorithm and bond fluctuation method, are suitable for dynamic Monte Carlo simulation of polymer. In this work, we use a cooperative move algorithm, in which several connected segments of the polymer can move collectively, to simulate the self-avoiding walk (SAW) and random walk (RW) chains on the 2-dimensional triangle lattice. We find this cooperative move algorithm can reproduce the result of Rouse theory well, so it can be used as a dynamic Monte Carlo simulation algorithm. The cooperative move algorithm is more realistic than the conventional local move ones in that it can mimic the tensile forces in the polymer chains.
引用
收藏
页码:649 / 654
页数:6
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