The tube axis and entanglements in polymer melts
The tube axis and entanglements in polymer melts
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DOI：
10.1039/c3sm52575a
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发表时间：
2014-01-01
期刊：
影响因子：
3.4
通讯作者：
Likhtman, Alexei E.
中科院分区：
文献类型：
--
作者：
Likhtman, Alexei E.
尽管管理论非常流行和成功，管的概念仍然是模糊和不明确的。本文提出了一种简单的计算机算法，将管轴构造为不同时刻链构型云的中心线。我们在连接良好纠缠的环状聚合物模拟生成的轨迹上测试了该算法，从而避免了所有的解纠缠过程。我们发现纠缠可以通过管轴的曲率清晰地表现出来，并且我们可以在分子动力学模拟中成功地识别二元和三元纠缠。本文报道并讨论了缠结的几个定量特征。
Although the tube theory is very popular and successful, the tube concept remains evasive and ill defined. This paper proposes a simple computer algorithm to construct the tube axis as a center line of the cloud of chain configurations at different moments of time. We test this algorithm on trajectories generated from simulations of concatenated well entangled ring polymers, thus avoiding all disentanglement processes. We find that entanglements are clearly manifested through the curvature of the tube axis, and we can successfully identify binary and ternary entanglements in molecular dynamics simulations. Several quantitative characteristics of entanglements are reported and discussed.