화학공학소재연구정보센터
Journal of Chemical Physics, Vol.104, No.13, 5234-5239, 1996
Time-Dependent Density-Functional Theory in Lattice-Gas Problems
Aiming at a description of the ordering kinetics in stochastic lattice-gases, we propose a time-dependent generalization of classical density functional theory, which is based on a local equilibrium assumption. Our final evolution equations for the single-particle densities are formally similar to time-dependent Ginzburg-Landau theories, but in principle are consistent with the exact thermodynamics of the system. As a first illustration of this theory we briefly discuss some aspects of the interfacial dynamics near an ordering transition in a specific lattice gas model.