Single-file diffusion of particles in a box: Transient behaviors

Abstract : We consider a finite number of particles with soft-core interactions, subjected to thermal fluctuations and confined in a box with excluded mutual passage. Using numerical simulations, we focus on the influence of the longitudinal confinement on the transient behavior of the longitudinal mean squared displacement. We exhibit several power laws for its time evolution according to the confinement range and to the rank of the particle in the file. We model the fluctuations of the particles as those of a chain of springs and point masses in a thermal bath. Our main conclusion is that actual system dynamics can be described in terms of the normal oscillation modes of this chain. Moreover, we obtain complete expressions for the physical observables, in excellent agreement with our simulations. The correct power laws for the time dependency of the mean squared displacement in the various regimes are recovered, and analytical expressions of the prefactors according to the relevant parameters are given.
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Jean-Baptiste Delfau, Christophe Coste, Michel Saint Jean. Single-file diffusion of particles in a box: Transient behaviors. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, American Physical Society, 2012, 85, pp.61111 - 61111. ⟨10.1103/PhysRevE.85.061111⟩. ⟨hal-01404836⟩

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