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Dynamic density functional theory with inertia and background flow.
Mills-Williams, R D; Goddard, B D; Archer, A J.
Afiliação
  • Mills-Williams RD; Edinburgh Designs Ltd., 27 Ratcliffe Terrace, Edinburgh EH9 1SX, United Kingdom.
  • Goddard BD; School of Mathematics and Maxwell Institute for Mathematical Sciences, University of Edinburgh, Edinburgh EH9 3FD, United Kingdom.
  • Archer AJ; Department of Mathematical Sciences, Loughborough University, Loughborough, Leicestershire LE11 3TU, United Kingdom.
J Chem Phys ; 160(17)2024 May 07.
Article em En | MEDLINE | ID: mdl-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.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Reino Unido

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Reino Unido