7 research outputs found
Kinetics in one-dimensional lattice gas and Ising models from time-dependent density functional theory
Time-dependent density functional theory, proposed recently in the context of
atomic diffusion and non-equilibrium processes in solids, is tested against
Monte Carlo simulation. In order to assess the basic approximation of that
theory, the representation of non-equilibrium states by a local equilibrium
distribution function, we focus on one-dimensional lattice models, where all
equilibrium properties can be worked exactly from the known free energy as a
functional of the density. This functional determines the thermodynamic driving
forces away from equilibrium. In our studies of the interfacial kinetics of
atomic hopping and spin relaxation, we find excellent agreement with
simulations, suggesting that the method is useful also for treating more
complex problems.Comment: 8 pages, 5 figures, submitted to Phys. Rev.