Bhattacharya A, Morrison W H, Luo K, Ala-Nissila T, Ying S-C, Milchev A, Binder K
Department of Physics, University of Central Florida, Orlando, FL 32816-2385, USA.
Eur Phys J E Soft Matter. 2009 Aug;29(4):423-9. doi: 10.1140/epje/i2009-10495-5. Epub 2009 Aug 8.
We investigate several properties of a translocating homopolymer through a thin pore driven by an external field present inside the pore only using Langevin Dynamics (LD) simulations in three dimensions (3D). Motivated by several recent theoretical and numerical studies that are apparently at odds with each other, we estimate the exponents describing the scaling with chain length (N) of the average translocation time
我们仅使用三维(3D)的朗之万动力学(LD)模拟,研究了在仅存在于孔内部的外场驱动下,穿过细孔的易位均聚物的几个性质。受近期一些明显相互矛盾的理论和数值研究的启发,我们估计了描述易位过程中平均易位时间〈τ〉、质心平均速度〈vCM〉和有效回转半径〈Rg〉随链长(N)缩放的指数,分别定义为〈τ〉≈Nα、〈vCM〉≈N-δ和〈Rg〉≈Nν,以及作为易位时间函数的易位坐标(s坐标)的指数〈s2(t)〉≈tβ。我们发现,对于〈s2(t)〉≈tβ,α = 1.36±0.01,β = 1.60±0.01;对于〈Δs2(t)〉≈tβ,β = 1.44±0.02,δ = 0.81±0.04,且ν≈0.59±0.01,其中ν是3D中的平衡弗洛里指数。因此,我们发现〈τ〉≈N1.36与〈τ〉≈〈Rg〉/〈vCM〉的估计一致。然而,正如之前在Kantor和Kardar的蒙特卡罗(MC)计算中所观察到的(Y. Kantor, M. Kardar, Phys. Rev. E 69, 021806 (2004)),我们还发现指数α = 1.36±0.01 < 1 + ν。此外,我们发现回转半径的平行和垂直分量,其中分别考虑链的“顺式”和“反式”部分,表现出明显的非平衡效应。我们还讨论了在此研究的N范围内有效指数对孔几何形状的依赖性。