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A generalized bead-rod model for Brownian dynamics simulations of wormlike chains under strong confinement

机译:强约束下蠕虫链布朗动力学的广义珠-杆模型

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This paper is aimed to develop a Brownian dynamics simulation method for strongly confined semiflexible polymers where numerical simulation plays an indispensable role in complementing theory and experiments.A wormlike chain under strong confinement is modeled as a string of virtual spherical beads connected by inextensible rods with length varying according to the confinement intensity of the chain measured by the Odijk deflection length.The model takes hydrodynamic interactions into account.The geometrical constraints associated with the inextensible rods are realized by the so-called linear constraint solver.The model parameters are studied by quantitatively comparing the simulated properties of a double-stranded DNA chain with available experimental data and theoretical predictions.
机译:本文旨在开发一种用于强约束半柔性聚合物的布朗动力学模拟方法,其中数值模拟在补充理论和实验中起着不可或缺的作用。在强约束下的蠕虫状链被建模为一串虚拟的球形珠子,这些球体由长度不可调的杆连接该模型根据由Odijk挠曲长度测量的链的约束强度而变化。该模型考虑了流体动力相互作用。通过所谓的线性约束求解器来实现与不可伸长杆相关的几何约束。通过定量研究模型参数将双链DNA链的模拟特性与可用的实验数据和理论预测进行比较。

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