Unexpected relaxation dynamics of a self-avoiding polymer in cylindrical confinement
Unexpected relaxation dynamics of a self-avoiding polymer in cylindrical confinement
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DOI：
10.1063/1.2799513
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发表时间：
2007-10-28
影响因子：
4.4
通讯作者：
Jun, Suckjon
中科院分区：
文献类型：
--
作者：
Arnold, Axel;Bozorgui, Behnaz;Jun, Suckjon
我们报告了限制在圆柱孔内的自我避开聚合物的松弛动力学的广泛模拟。特别是，我们专注于研究限制如何影响链长n和孔直径的链的全局放松时间的缩放行为D。 （ND1/3）-D-2。但是，我们结合了分子动力学和蒙特卡洛模拟的数值努力，但是，直到2000年，n始终产生不同的tau结果。我们认为，先前的缩放预测仅在限制n >> d-5/3 >> 1中渐近有效这对于计算机模拟目前无法访问，更有趣的是，在实验中也很难达到。因此，我们的结果与纳米和微通道中DNA最近实验的解释有关。 （c）2007年美国物理研究所。
We report extensive simulations of the relaxation dynamics of a self-avoiding polymer confined inside a cylindrical pore. In particular, we concentrate on examining how confinement influences the scaling behavior of the global relaxation time of the chain, tau, with the chain length N and pore diameter D. An earlier scaling analysis based on the de Gennes blob picture led to tau similar to (ND1/3)-D-2. Our numerical effort that combines molecular dynamics and Monte Carlo simulations, however, consistently produces different tau results for N up to 2000. We argue that the previous scaling prediction is only asymptotically valid in the limit N >> D-5/3 >> 1, which is currently inaccessible to computer simulations and, more interestingly, is also difficult to reach in experiments. Our results are thus relevant for the interpretation of recent experiments with DNA in nano- and microchannels. (C) 2007 American Institute of Physics.