Department of Applied Physics and COMP Center of Excellence, Aalto University School of Science, P.O. Box 11000, FI-00076 Aalto, Espoo, Finland.
J Chem Phys. 2012 Aug 28;137(8):085101. doi: 10.1063/1.4742188.
We study the dynamics of driven polymer translocation using both molecular dynamics (MD) simulations and a theoretical model based on the non-equilibrium tension propagation on the cis side subchain. We present theoretical and numerical evidence that the non-universal behavior observed in experiments and simulations are due to finite chain length effects that persist well beyond the relevant experimental and simulation regimes. In particular, we consider the influence of the pore-polymer interactions and show that they give a major contribution to the non-universal effects. In addition, we present comparisons between the theory and MD simulations for several quantities, showing extremely good agreement in the relevant parameter regimes. Finally, we discuss the potential limitations of the present theories.
我们使用分子动力学 (MD) 模拟和基于顺式侧亚链上非平衡张力传播的理论模型来研究驱动聚合物易位的动力学。我们提出了理论和数值证据，表明实验和模拟中观察到的非普适行为是由于有限链长效应所致，这些效应在相关的实验和模拟范围内仍然存在。特别是，我们考虑了孔-聚合物相互作用的影响，并表明它们对非普适效应有很大的贡献。此外，我们还比较了几种数量的理论和 MD 模拟，在相关参数范围内显示出非常好的一致性。最后，我们讨论了现有理论的潜在局限性。
