Journal
MOLECULAR SIMULATION
Volume 29, Issue 10-11, Pages 649-654Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/0892702031000103185
Keywords
Monte Carlo simulation; polymer; dynamics
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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.
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