Time-Dependent Density Functional Theory for Driven Lattice Gas Systems with Interactions

TL;DR

This paper introduces a novel time-dependent density functional theory approach to model the kinetics of driven lattice gases with interactions, providing accurate predictions for steady states and density evolution.

Contribution

The paper develops a systematic DFT-based method for driven lattice gases with interactions beyond simple exclusion, extending previous models.

Findings

Accurately predicts current-density relations in driven lattice gases.

Reproduces phase diagrams of non-equilibrium steady states.

Matches kinetic Monte Carlo simulation results for density profiles.

Abstract

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.