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半柔性聚合物:对系综和边界取向的依赖

Semiflexible polymers: dependence on ensemble and boundary orientations.

作者信息

Chaudhuri Debasish

机构信息

Department of Biological Physics, Max Planck Institute for the Physics of Complex Systems, Nöthnitzer Strasse 38, 01187 Dresden, Germany.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2007 Feb;75(2 Pt 1):021803. doi: 10.1103/PhysRevE.75.021803. Epub 2007 Feb 28.

Abstract

We show that the mechanical properties of a worm-like-chain (WLC) polymer, of contour length L and persistence length lambda such that t=L/lambda approximately O(1), depend both on the ensemble and the constraint on end orientations. In the Helmholtz ensemble, multiple minima in the free energy near t=4 persists for all kinds of orientational boundary conditions. The qualitative features of projected probability distribution of end-to-end vector depend crucially on the embedding dimensions. A mapping of the WLC model, to a quantum particle moving on the surface of a unit sphere, is used to obtain the statistical and mechanical properties of the polymer under various boundary conditions and ensembles. The results show excellent agreement with Monte Carlo simulations.

摘要

我们表明,对于轮廓长度为(L)、持久长度为(\lambda)且(t = L / \lambda)近似为(O(1))的蠕虫状链(WLC)聚合物,其力学性能既取决于系综,也取决于末端取向的约束。在亥姆霍兹系综中,对于各种取向边界条件,(t = 4)附近自由能的多个极小值持续存在。端到端矢量投影概率分布的定性特征关键取决于嵌入维度。通过将WLC模型映射到在单位球面上运动的量子粒子,来获得聚合物在各种边界条件和系综下的统计和力学性能。结果与蒙特卡罗模拟显示出极佳的一致性。

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