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二维三角格子上高分子动态Monte Carlo模拟的协同运动算法
Dynamic Monte Carlo Simulation of Polymer Cooperative Motion Algorithm in 2-Dimensional Triangle Lattice
【摘要】 在动态MonteCarlo模拟的协同运动算法中 ,几个相邻的链节可以同时运动 ,这可以理解为高分子链中张力的作用引起的协同运动。将这一算法用于二维三角格子模型上RW链和SAW链的模拟。结果表明RW链的动力学行为符合Rouse理论 ,说明该算法可以用于高分子动力学研究 ,其优点是不需要使用键长涨落模型。
【Abstract】 In the cooperative motion Monte Carlo simulation algorithm of polymer, several neighboring segments can move collectively. This may be interpreted as the local molecular motion arising from the tensile force in the polymer chain. Using this algorithm we studied the dynamic behavior of the RW and SAW chains on 2 dimensional triangle lattice. It is shown that the RW chains’ dynamic behavior is agreement with the Rouse theory, so it can be used as a dynamic Monte Carlo simulation algorithm. It is better than the well known bond fluctuation algorithm.
【关键词】 Monte Carlo模拟;
高分子动力学;
格子模型;
协同运动算法;
【Key words】 Monte Carlo simulation; polymer dynamics; lattice model; cooperative motion algorithm;
【Key words】 Monte Carlo simulation; polymer dynamics; lattice model; cooperative motion algorithm;
【基金】 国家自然科学基金 ( 2 0 0 2 5 618;2 9736170 );教育部博士点基金 ( 19990 2 5 10 3);上海市教委曙光计划联合资助项目~~
- 【文献出处】 功能高分子学报 ,Journal of Functional Polymers , 编辑部邮箱 ,2001年04期
- 【分类号】O631
- 【被引频次】4
- 【下载频次】93