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