Particle Conservation in Dynamical Density Functional Theory
Soft Condensed Matter
2016-05-25 v2 Classical Physics
Abstract
We present the exact adiabatic theory for the dynamics of the inhomogeneous density distribution of a classical fluid. Erroneous particle number fluctuations of dynamical density functional theory are absent, both for canonical and grand canonical initial conditions. We obtain the canonical free energy functional, which yields the adiabatic interparticle forces of overdamped Brownian motion. Using an exact and one of the most advanced approximate hard core free energy functionals, we obtain excellent agreement with simulations. The theory applies to finite systems in and out of equilibrium.
Cite
@article{arxiv.1511.08500,
title = {Particle Conservation in Dynamical Density Functional Theory},
author = {Daniel de las Heras and Joseph M. Brader and Andrea Fortini and Matthias Schmidt},
journal= {arXiv preprint arXiv:1511.08500},
year = {2016}
}
Comments
7 pages, 2 figures. Accepted in Journal of Physics: Condensed Matter