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Dynamic density functional theory with inertia and background flow.

作者信息

Mills-Williams R D, Goddard B D, Archer A J

机构信息

Edinburgh Designs Ltd., 27 Ratcliffe Terrace, Edinburgh EH9 1SX, United Kingdom.

School of Mathematics and Maxwell Institute for Mathematical Sciences, University of Edinburgh, Edinburgh EH9 3FD, United Kingdom.

出版信息

J Chem Phys. 2024 May 7;160(17). doi: 10.1063/5.0208943.

DOI:10.1063/5.0208943
PMID:38748028
Abstract

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.

摘要

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