Single file dynamics of tethered random walkers

We consider the single file dynamics of N identical random walkers moving with diffusivity D in one dimension (walkers bounce off each other when attempting to overtake). In addition, we require that the separation between neighboring walkers does not exceed a threshold value Δ and therefore call them "tethered walkers" (they behave as if bounded by strings that fully tighten when reaching the maximum length Δ). For a finite Δ, we study the diffusional relaxation to the equilibrium state and characterize the latter [the long-time relaxation is exponential with a characteristic time that scales as (NΔ)2/D]. In particular, our approximate approach for the N-particle probability distribution yields the one-particle distribution function of the central and edge particles (the first two positional moments are given as power expansions in Δ/4Dt). For N = 2, we find an exact solution (both in the continuum and on-lattice case) and use it to test our approximations for one-particle distributions, positional moments, and correlations. For finite Δ and arbitrary N, edge particles move with an effective long-time diffusivity D/N, in sharp contrast with the 1/ln(N)-behavior observed when Δ = ∞. Finally, we compute the probability distribution of the equilibrium system length and associated entropy. We find that the force required to change this length by a given amount is linear in this quantity; the (entropic) spring constant is 6kBT/(NΔ2). In this respect, the system behaves as an ideal polymer. The main analytical results are confirmed using Monte Carlo simulations.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2025-06-13
DOI
https://doi.org/10.1063/5.0271037
Primary Topic
Theoretical and Computational Physics
Type
article
Field-Weighted Citation Impact
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article

Single file dynamics of tethered random walkers

E. Abad, S. B. Yuste, A. Baumgærtner
The Journal of Chemical Physics
Theoretical and Computational Physics
article

Single file dynamics of tethered random walkers

E. Abad, S. B. Yuste, A. Baumgærtner
article en

Abstract

We consider the single file dynamics of N identical random walkers moving with diffusivity D in one dimension (walkers bounce off each other when attempting to overtake). In addition, we require that the separation between neighboring walkers does not exceed a threshold value Δ and therefore call them "tethered walkers" (they behave as if bounded by strings that fully tighten when reaching the maximum length Δ). For a finite Δ, we study the diffusional relaxation to the equilibrium state and characterize the latter [the long-time relaxation is exponential with a characteristic time that scales as (NΔ)2/D]. In particular, our approximate approach for the N-particle probability distribution yields the one-particle distribution function of the central and edge particles (the first two positional moments are given as power expansions in Δ/4Dt). For N = 2, we find an exact solution (both in the continuum and on-lattice case) and use it to test our approximations for one-particle distributions, positional moments, and correlations. For finite Δ and arbitrary N, edge particles move with an effective long-time diffusivity D/N, in sharp contrast with the 1/ln(N)-behavior observed when Δ = ∞. Finally, we compute the probability distribution of the equilibrium system length and associated entropy. We find that the force required to change this length by a given amount is linear in this quantity; the (entropic) spring constant is 6kBT/(NΔ2). In this respect, the system behaves as an ideal polymer. The main analytical results are confirmed using Monte Carlo simulations.

The Journal of Chemical PhysicsVol. 162(22)
University of Duisburg-Essen (DE), Universidad de Extremadura (ES)
Ministerio de Ciencia e Innovación
Openalex Percentile: Top 91%
Theoretical and Computational Physics
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Single file dynamics of tethered random walkers — E. Abad, S. B. Yuste, et al. · The Journal of Chemical Physics (2025) | TGRS Research Map | TGRS