Time-dependent density functional theory for driven lattice gas systems with interactions
Institut für Physik, Technische Universität Ilmenau - 98684 Ilmenau, Germany, EU
2 Fachbereich Physik, Universität Osnabrück - Barbarastraß e 7, 49076 Osnabrück, Germany, EU
Accepted: 9 February 2011
We present a new method to describe the kinetics of driven lattice gases with particle-particle interactions beyond hard-core exclusions. The method is based on the time-dependent density functional theory for lattice systems and allows one to set up closed evolution equations for mean site occupation numbers in a systematic manner. Application of the method to a totally asymmetric site exclusion process with nearest-neighbor interactions yields predictions for the current-density relation in the bulk, the phase diagram of non-equilibrium steady states and the time evolution of density profiles that are in good agreement with results from kinetic Monte Carlo simulations.
PACS: 05.50.+q – Lattice theory and statistics (Ising, Potts, etc.) / 05.60.Cd – Classical transport / 05.70.Ln – Nonequilibrium and irreversible thermodynamics
© EPLA, 2011