Solid State Ionics, Vol.157, No.1-4, 221-226, 2003
Thermal diffusion of interacting lattice gases
The dynamics of interacting lattice gases in nonuniform temperature field is considered. The expression for the thermal diffusion coefficient is derived in the framework of nonequilibrium statistical mechanics. The algorithm of Monte Carlo simulation of lattice gas stationary states in a nonuniform temperature field is proposed. The simulation results are used to evaluate the thermal diffusion coefficient. Statistical-mechanical and simulation results are compared and discussed.
Keywords:lattice gases;solid electrolytes;transport properties;nonuniform temperature field;thermal diffusion;Monte Carlo simulation