Diffusion of finite-sized hard-core interacting particles in a one-dimensional box: Tagged particle dynamics

We solve a nonequilibrium statistical-mechanics problem exactly, namely, the single-file dynamics of N hard-core interacting particles (the particles cannot pass each other) of size Δ diffusing in a one-dimensional system of finite length L with reflecting boundaries at the ends. We obtain an exact...

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Bibliographic Details
Main Authors: Lizana, L. (Author), Ambjornsson, T. (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Chemistry (Contributor)
Format: Article
Language:English
Published: American Physical Society, 2011-08-04T21:15:42Z.
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Summary:We solve a nonequilibrium statistical-mechanics problem exactly, namely, the single-file dynamics of N hard-core interacting particles (the particles cannot pass each other) of size Δ diffusing in a one-dimensional system of finite length L with reflecting boundaries at the ends. We obtain an exact expression for the conditional probability density function ρT(yT,t∣yT,0) that a tagged particle T (T=1,...,N) is at position yT at time t given that it at time t=0 was at position yT,0. Using a Bethe ansatz we obtain the N-particle probability density function and, by integrating out the coordinates (and averaging over initial positions) of all particles but particle T, we arrive at an exact expression for ρT(yT,t∣yT,0) in terms of Jacobi polynomials or hypergeometric functions. Going beyond previous studies, we consider the asymptotic limit of large N, maintaining L finite, using a nonstandard asymptotic technique. We derive an exact expression for ρT(yT,t∣yT,0) for a tagged particle located roughly in the middle of the system, from which we find that there are three time regimes of interest for finite-sized systems: (A) for times much smaller than the collision time t«τcoll=1/(ϱ2D), where ϱ=N/L is the particle concentration and D is the diffusion constant for each particle, the tagged particle undergoes a normal diffusion; (B) for times much larger than the collision time t«τcoll but times smaller than the equilibrium time t«τeq=L2/D, we find a single-file regime where ρT(yT,t∣yT,0) is a Gaussian with a mean-square displacement scaling as t1/2; and (C) for times longer than the equilibrium time t«τeq, ρT(yT,t∣yT,0) approaches a polynomial-type equilibrium probability density function. Notably, only regimes (A) and (B) are found in the previously considered infinite systems.
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