Dynamic Density Functional Theory with Inertia and Background Flow

R. D. Mills-Williams, Benjamin Goddard, A. J. Archer

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

We present dynamic density functional theory (DDFT) incorporating general inhomogeneous, incompressible, time-dependent background flows and inertia, describing externally driven passive colloidal systems out of equilibrium. We start by considering the underlying nonequilibrium Langevin dynamics, including the effect of the local velocity of the surrounding liquid bath, to obtain the nonlinear, nonlocal partial differential equations governing the evolution of the (coarse-grained) density and velocity fields describing the dynamics of colloids. In addition, we show both with heuristic arguments, and by numerical solution, that our equations and solutions agree with existing DDFTs in the overdamped (high friction) limit. We provide numerical solutions that model the flow of hard spheres, in both unbounded and confined domains, and compare with previously derived DDFTs with and without the background flow.

Original languageEnglish
Article number174901
JournalThe Journal of Chemical Physics
Volume160
Issue number17
DOIs
Publication statusPublished - 7 May 2024

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