波纹管中单个polymer的意外交叉动力学
Unexpected crossover dynamics of single polymer in a corrugated tube
摘要：
我们提出了分子动力学研究的一般（粗粒）模型的单一聚合物扩散限制在一个波纹圆柱。对于窄管，即，对于圆柱体直径$δ< 2.3$，轴向扩散系数$D_{||}$按$D_{||} \propto N^{-3/2}$标度，链长为$N$，直至$N \approx 100$，然后交叉到Rouse标度以获得较大的$N$值。的$N^{-3/2}$缩放是由于沿其完全拉伸的平衡构象的聚合物链的大的波动。对于原子光滑管和/或具有较大直径的圆柱体，没有观察到更强的缩放，即$N^{-3/2}$。
英文摘要：
We present molecular dynamics study of a generic (coarse-grained) model for single-polymer diffusion confined in a corrugated cylinder. For a narrow tube, i.e., diameter of the cylinder $δ< 2.3$, the axial diffusion coefficient $D_{||}$ scales as $D_{||} \propto N^{-3/2}$, with chain length $N$, up to $N \approx 100$ then crosses over to Rouse scaling for the larger $N$ values. The $N^{-3/2}$ scaling is due to the large fluctuation of the polymer chain along its fully stretched equilibrium conformation. The stronger scaling, namely $N^{-3/2}$, is not observed for an atomistically smooth tube and/or for a cylinder with larger diameter.
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