Thermally activated processes in polymer dynamics.
Thermally activated processes in polymer dynamics.
复制标题
聚合物动力学中的热激活过程。
DOI：
10.1103/physreve.68.061111
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发表时间：
2003
期刊：
影响因子：
--
通讯作者：
A. Torcini
中科院分区：
文献类型：
--
作者：
L. Bongini;R. Livi;A. Politi;A. Torcini
通过确定从不同谷的平均逃逸时间，数值研究了均聚物和杂聚物链的能量景观中相邻极小值之间的跳跃。数值结果与Langer [J.S. Langer，Ann. Phys.（纽约）54，258（1969）]。我们的模拟表明，在原生谷内的动态很好地描述了一系列的热激活过程的温度远高于折叠温度。在更高的温度下，系统偏离兰格的估计，而不是观察。这种差异的几个来源进行了彻底的讨论。
Jumps between neighboring minima in the energy landscape of both homopolymeric and heteropolymeric chains are numerically investigated by determining the average escape time from different valleys. The numerical results are compared to the theoretical expression derived by Langer [J.S. Langer, Ann. Phys. (N.Y.) 54, 258 (1969)] with reference to a 2N-dimensional space. Our simulations indicate that the dynamics within the native valley is well described by a sequence of thermally activated process up to temperatures well above the folding temperature. At larger temperatures, systematic deviations from the Langer's estimate are instead observed. Several sources for such discrepancies are thoroughly discussed.