Branched Semiflexible Polymers: Theoretical and Simulation Aspects
Branched Semiflexible Polymers: Theoretical and Simulation Aspects
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DOI：
10.1002/mats.201100049
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发表时间：
2011-09-23
影响因子：
1.4
通讯作者：
Blumen, Alexander
中科院分区：
文献类型：
--
作者：
Dolgushev, Maxim;Berezovska, Ganna;Blumen, Alexander
最近的方法考虑到刚度的影响时，建模多功能聚合物结构的报告。理论部分是集中在任意的树状聚合物，通过扩展的GGS计划，允许列入当地的限制建模。的理论研究结果进行了比较，其中刚度被纳入债券波动模型的帮助下，额外的弯曲电位的数值模拟的结果。该程序是说明通过评估的静态性质的半柔性线性链，星，共谱聚合物和环。动力学性质的例子是半柔性聚合物的机械松弛，包括在不同地点的局部条件相同或不同的情况。
Recent approaches for taking stiffness effects into account when modeling multifunctional polymer structures are reported. The theoretical part is focused on arbitrary tree-like polymers, modeled through extensions of the GGS scheme that allows the inclusion of local constraints. The theoretical findings are compared to the results of numerical simulations in which stiffness is included into the bond fluctuation model with the help of additional bending potentials. The procedure is illustrated by evaluating the static properties of semiflexible linear chains, stars, cospectral polymers and rings. The dynamical properties are exemplified by the mechanical relaxation of semiflexible polymers, including situations in which the local conditions at different sites are the same or different.