Threading Dynamics of Ring Polymers in a Gel
Threading Dynamics of Ring Polymers in a Gel
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DOI：
10.1021/mz500060c
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发表时间：
2014-03-01
影响因子：
7.015
通讯作者：
Turner, Matthew S.
中科院分区：
文献类型：
--
作者：
Michieletto, Davide;Marenduzzo, Davide;Turner, Matthew S.
我们进行大规模的三维分子动力学模拟的未连接和unknotted环聚合物扩散通过一个背景凝胶，这里是一个三维立方晶格。利用这种架构，我们提出了一种新的方法来明确识别和量化环间螺纹（渗透），并将这些与环聚合物的动态。我们发现，无论是线程的数量和持续时间的增加与链的长度，最终导致一个扩展网络的环间渗透。我们讨论了这些研究结果的可能出现的拓扑堵塞状态的非常长的环的影响。
We perform large scale three-dimensional molecular dynamics simulations of unlinked and unknotted ring polymers diffusing through a background gel, here a three-dimensional cubic lattice. Taking advantage of this architecture, we propose a new method to unambiguously identify and quantify inter-ring threadings (penetrations) and to relate these to the dynamics of the ring polymers. We find that both the number and the persistence time of the threadings increase with the length of the chains, ultimately leading to a percolating network of inter-ring penetrations. We discuss the implications of these findings for the possible emergence of a topological jammed state of very long rings.