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定向聚合物熔体中的拓扑约束

Topological Constraints in Directed Polymer Melts.

作者信息

Serna Pablo, Bunin Guy, Nahum Adam

机构信息

Theoretical Physics, Oxford University, 1 Keble Road, Oxford OX1 3NP, United Kingdom.

Departamento de Física-CIOyN, Universidad de Murcia, Murcia 30.071, Spain.

出版信息

Phys Rev Lett. 2015 Nov 27;115(22):228303. doi: 10.1103/PhysRevLett.115.228303. Epub 2015 Nov 25.

DOI:10.1103/PhysRevLett.115.228303
PMID:26650320
Abstract

Polymers in a melt may be subject to topological constraints, as in the example of unlinked polymer rings. How to do statistical mechanics in the presence of such constraints remains a fundamental open problem. We study the effect of topological constraints on a melt of directed polymers, using simulations of a simple quasi-2D model. We find that fixing the global topology of the melt to be trivial changes the polymer conformations drastically. Polymers of length L wander in the transverse direction only by a distance of order (lnL)^{ζ} with ζ≃1.5. This is strongly suppressed in comparison with the Brownian L^{1/2} scaling which holds in the absence of the topological constraint. It is also much smaller than the predictions of standard heuristic approaches-in particular the L^{1/4} of a mean-field-like "array of obstacles" model-so our results present a sharp challenge to theory. Dynamics are also strongly affected by the constraints, and a tagged monomer in an infinite system performs logarithmically slow subdiffusion in the transverse direction. To cast light on the suppression of the strands' wandering, we analyze the topological complexity of subregions of the melt: the complexity is also logarithmically small, and is related to the wandering by a power law. We comment on insights the results give for 3D melts, directed and nondirected.

摘要

处于熔体状态的聚合物可能会受到拓扑约束,就像未连接的聚合物环的例子那样。在存在此类约束的情况下如何进行统计力学研究仍然是一个基本的开放性问题。我们使用一个简单的准二维模型进行模拟,研究拓扑约束对定向聚合物熔体的影响。我们发现,将熔体的全局拓扑固定为平凡拓扑会极大地改变聚合物的构象。长度为L的聚合物在横向方向上的波动距离仅为(lnL)^ζ量级,其中ζ≃1.5。与在没有拓扑约束时成立的布朗运动L^(1/2)标度相比,这受到了强烈抑制。它也比标准启发式方法的预测值小得多,特别是类似于平均场的“障碍物阵列”模型的L^(1/4),所以我们的结果对理论提出了严峻挑战。动力学也受到约束的强烈影响,在无限系统中,一个被标记的单体在横向方向上进行对数缓慢的亚扩散。为了阐明链波动的抑制情况,我们分析了熔体子区域的拓扑复杂性:复杂性也是对数级小的,并且通过幂律与波动相关。我们评论了这些结果对三维熔体(定向和非定向)的启示。

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