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首页> 外文期刊>Polymer science, Series C >Translocation Dynamics of a Semiflexible Chain Under a Bias: Comparison with Tension Propagation Theory
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Translocation Dynamics of a Semiflexible Chain Under a Bias: Comparison with Tension Propagation Theory

机译:偏压下半柔性链的移位动力学:与张力传播理论的比较

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We study translocation dynamics of a semi-flexible polymer through a nanoscopic pore in two dimensions (2D) using Langevin dynamics simulation in presence of an external force inside the pore. We observe that for a given chain length N the mean first passage time (MFPT) (τ) increases for a stiffer chain. By repeating the calculation for various chain lengths N and bending rigidity parameter K_b we calculate the translocation exponent α ((τ) ~ N~α). For chain lengths N and bending rigidity K_b considered in this paper we find that the translocation exponent a satisfies the inequality α < 1 + v, where v is the equilibrium Flory exponent for a given chain stiffness, as previously observed in various simulation studies for fully flexible chains. We observe that the peak position of the residence time W(s) as a function of the monomer index s shifts at a lower s-value with increasing chain stiffness K_b. We also monitor segmental gyration (R_g(s)) both at the cis and trans side during the translocation process and find that for K_b ± 0 the late time cis conformations are nearly identical to the early time trans conformations, and this overlap continues to increase for stiffer chains. Finally, we try to rationalize dependence of various quantities on chain stiffness K_b using Sakaue's tension propagation (TP) theory [Phys. Rev. E 76, 021803 (2007)] and Brownian Dynamics Tension Propagation (BDTP) theory due to Ikonen et al. [Phys. Rev. E 85 051803 (2012); J. Chem. Phys. 137 085101 (2012)] originally developed for a fully flexible chain to a semi-flexible chain.
机译:我们在孔内存在外力的情况下,使用Langevin动力学模拟研究了二维(2D)纳米孔中半柔性聚合物的移位动力学。我们观察到,对于给定的链长N,较硬的链平均首次通过时间(MFPT)(τ)会增加。通过重复各种链长N和抗弯刚度参数K_b的计算,我们计算出易位指数α((τ)〜N〜α)。对于本文中考虑的链长N和弯曲刚度K_b,我们发现易位指数a满足不等式α<1 + v,其中v是给定链刚度的平衡弗洛里指数,如先前在各种模拟研究中观察到的柔性链。我们观察到,停留时间W(s)的峰值位置随单体指数s的变化,随着链刚度K_b的增加,在较低的s值处移动。我们还监测了易位过程中顺式和反式的分段旋转(R_g(s)),发现对于K_b±0,晚期顺式构象与早期反式构象几乎相同,并且这种重叠继续增加用于较硬的链条。最后,我们尝试使用Sakaue的张力传播(TP)理论合理化各种量对链刚度K_b的依赖性[Phys。 Rev. E 76,021803(2007)]和归因于Ikonen等人的Brownian Dynamics张力传播(BDTP)理论。 [物理E 85 051803(2012); J.化学物理137 085101(2012)]最初是为将完全柔性链转变为半柔性链而开发的。

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