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Hauptverfasser: Wang, Hanyang, Slater, Gary W.
Format: Preprint
Veröffentlicht: 2025
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Online-Zugang:https://arxiv.org/abs/2505.12164
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author Wang, Hanyang
Slater, Gary W.
author_facet Wang, Hanyang
Slater, Gary W.
contents We use Langevin dynamics (LD) simulations to investigate single-file diffusion (SFD) in a dilute solution of flexible linear polymers inside a narrow tube with periodic boundary conditions (a torus). The transition from SFD, where the time (t) dependence of the mean-square displacement scales like $\langle x^2\rangle \sim t^{1/2}$, to normal diffusion with $\langle x^2 \rangle \sim t$, is studied as a function of the system parameters, such as the size and concentration of the polymer chains and the width of the tube. We propose a phase diagram describing different diffusion regimes. In particular, we highlight the fact that there are two different pathways to normal long-time diffusion. We also map this problem onto a one-dimensional Lattice Monte Carlo model where the diffusing object represents the polymer center of mass. Possible extensions of this work to polydisperse polymer solutions, one-dimensional electrophoresis and DNA mapping are discussed.
format Preprint
id arxiv_https___arxiv_org_abs_2505_12164
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Polymer (imperfect) single-file diffusion: A phase diagram
Wang, Hanyang
Slater, Gary W.
Soft Condensed Matter
Biological Physics
We use Langevin dynamics (LD) simulations to investigate single-file diffusion (SFD) in a dilute solution of flexible linear polymers inside a narrow tube with periodic boundary conditions (a torus). The transition from SFD, where the time (t) dependence of the mean-square displacement scales like $\langle x^2\rangle \sim t^{1/2}$, to normal diffusion with $\langle x^2 \rangle \sim t$, is studied as a function of the system parameters, such as the size and concentration of the polymer chains and the width of the tube. We propose a phase diagram describing different diffusion regimes. In particular, we highlight the fact that there are two different pathways to normal long-time diffusion. We also map this problem onto a one-dimensional Lattice Monte Carlo model where the diffusing object represents the polymer center of mass. Possible extensions of this work to polydisperse polymer solutions, one-dimensional electrophoresis and DNA mapping are discussed.
title Polymer (imperfect) single-file diffusion: A phase diagram
topic Soft Condensed Matter
Biological Physics
url https://arxiv.org/abs/2505.12164