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首页> 外文期刊>The Journal of Chemical Physics >Semiflexible polymers under external fields confined to two dimensions
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Semiflexible polymers under external fields confined to two dimensions

机译:外部电场作用下的半柔性聚合物仅限于二维

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摘要

The non-equilibrium structural and dynamical properties of semiflexible polymers confined to two dimensions are investigated by molecular dynamics simulations. Three different scenarios are considered: the force-extension relation of tethered polymers, the relaxation of an initially stretched semiflexible polymer, and semiflexible polymers under shear flow. We find quantitative agreement with theoretical predictions for the force-extension relation and the time dependence of the entropically contracting polymer. The semiflexible polymers under shear flow exhibit significant conformational changes at large shear rates, where less stiff polymers are extended by the flow, whereas rather stiff polymers are contracted. In addition, the polymers are aligned by the flow, thereby the two-dimensional semiflexible polymers behave similarly to flexible polymers in three dimensions. The tumbling times display a power-law dependence at high shear rate rates with an exponent comparable to the one of flexible polymers in three-dimensional systems.
机译:通过分子动力学模拟研究了局限于二维的半柔性聚合物的非平衡结构和动力学性质。考虑了三种不同的情况:系留聚合物的力-伸长关系,初始拉伸的半柔性聚合物的松弛和剪切流下的半柔性聚合物。我们发现与理论预测有关的熵-收缩聚合物的力-延伸关系和时间依赖性的定量一致性。在剪切流作用下,半柔性聚合物在大剪切速率下显示出显着的构象变化,其中刚性较低的聚合物通过流动而延伸,而刚性聚合物则收缩。另外,聚合物通过流动而排列,由此二维半柔性聚合物在三个维度上的行为类似于柔性聚合物。翻滚时间在高剪切速率下显示出幂律相关性,其指数可与三维系统中的柔性聚合物相媲美。

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