Bulk diffusion in a kinetically constrained lattice gas
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Publication:4642707
variational methoddiffusion coefficientGreen-Kubo formulalattice gaskinetic processconstrained model
Kinetic theory of gases in time-dependent statistical mechanics (82C40) Particle methods and lattice-gas methods (76M28) Dynamic lattice systems (kinetic Ising, etc.) and systems on graphs in time-dependent statistical mechanics (82C20) Interface problems; diffusion-limited aggregation in time-dependent statistical mechanics (82C24)
Abstract: In the hydrodynamic regime, the evolution of a stochastic lattice gas with symmetric hopping rules is described by a diffusion equation with density-dependent diffusion coefficient encapsulating all microscopic details of the dynamics. This diffusion coefficient is, in principle, determined by a Green-Kubo formula. In practice, even when the equilibrium properties of a lattice gas are analytically known, the diffusion coefficient cannot be computed except when a lattice gas additionally satisfies the gradient condition. We develop a procedure to systematically obtain analytical approximations for the diffusion coefficient for non-gradient lattice gases with known equilibrium. The method relies on a variational formula found by Varadhan and Spohn which is a version of the Green-Kubo formula particularly suitable for diffusive lattice gases. Restricting the variational formula to finite-dimensional sub-spaces allows one to perform the minimization and gives upper bounds for the diffusion coefficient. We apply this approach to a kinetically constrained non-gradient lattice gas, viz. to the Kob-Andersen model on the square lattice.
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(25)- Diffusivity of lattice gases
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