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Iso-flux tension propagation theory of driven polymer translocation: The role of initial configurations

机译:驱动聚合物易位的等通量张力传播理论:初始构型的作用

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We investigate the dynamics of pore-driven polymer translocation by theoretical analysis and molecular dynamics (MD) simulations. Using the tension propagation theory within the constant flux approximation we derive an explicit equation of motion for the tension front. From this we derive a scaling relation for the average translocation time tau, which captures the asymptotic result tau alpha N-0(1+nu), where N-0 is the chain length and nu is the Flory exponent. In addition, we derive the leading correction-to-scaling term to tau and show that all terms of order N-0(2 nu) exactly cancel out, leaving only a finite-chain length correction term due to the effective pore friction, which is linearly proportional to N-0. We use the model to numerically include fluctuations in the initial configuration of the polymer chain in addition to thermal noise. We show that when the cis side fluctuations are properly accounted for, the model not only reproduces previously known results but also considerably improves the estimates of the monomer waiting time distribution and the time evolution of the translocation coordinate s(t), showing excellent agreement with MD simulations. (C) 2014 AIP Publishing LLC.
机译:我们通过理论分析和分子动力学(MD)模拟研究孔驱动聚合物易位的动力学。使用恒定通量近似值内的张力传播理论,我们得出了张力前沿的显式运动方程。从中我们得出平均移位时间tau的比例关系,它捕获渐近结果tau alpha N-0(1 + nu),其中N-0是链长,nu是弗洛里指数。此外,我们将领先的按比例缩放校正项推导出到tau并显示N-0(2 nu)阶的所有项均被完全抵消,由于有效的孔摩擦,仅留下了有限链长校正项,与N-0成线性比例关系我们使用该模型在数值上包括除热噪声外聚合物链初始构型的波动。我们表明,当正确解决了顺侧波动时,该模型不仅可以再现先前已知的结果,而且可以大大改善单体等待时间分布的估计值和易位坐标s(t)的时间演化,与MD模拟。 (C)2014 AIP Publishing LLC。

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