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对强制聚合物易位中使用的计算方法的批判性评估。

Critical evaluation of the computational methods used in the forced polymer translocation.

作者信息

Lehtola V V, Linna R P, Kaski K

机构信息

Department of Biomedical Engineering and Computational Science, Helsinki University of Technology, P. O. Box 9203, FIN-02150 TKK, Finland.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Dec;78(6 Pt 1):061803. doi: 10.1103/PhysRevE.78.061803. Epub 2008 Dec 29.

Abstract

In forced polymer translocation, the average translocation time tau scales with respect to pore force f and polymer length N as tau approximately f;{-1}N;{beta} . We demonstrate that an artifact in the Metropolis Monte Carlo method resulting in breakage of the force scaling with large f may be responsible for some of the controversies between different computationally obtained results and also between computational and experimental results. Using Langevin dynamics simulations we show that the scaling exponent beta<or=1+nu is not universal, but depends on f . Moreover, we show that forced translocation can be described by a relatively simple force balance argument and beta to arise solely from the initial polymer configuration.

摘要

在强制聚合物转位过程中,平均转位时间τ与孔力f和聚合物长度N的关系为τ近似于f^(-1)N^β 。我们证明, metropolis蒙特卡罗方法中导致在大f时力标度关系破坏的一个假象,可能是不同计算结果之间以及计算结果与实验结果之间某些争议的原因。使用朗之万动力学模拟,我们表明标度指数β≤1+ν并非普适的,而是依赖于f 。此外,我们表明强制转位可以用一个相对简单的力平衡论点来描述,并且β仅由聚合物的初始构型产生。

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