Loughborough University
Browse

Dynamic density functional theory with inertia and background flow

Download (8.63 MB)
Version 2 2024-10-18, 15:50
Version 1 2024-04-19, 09:52
journal contribution
posted on 2024-10-18, 15:50 authored by Rory D Mills-Williams, Benjamin D Goddard, Andrew ArcherAndrew Archer

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. Additionally, 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 to previously–derived DDFTs with and without the background flow.

Funding

Statistical mechanics of soft matter: Derivation, analysis and implementation of dynamic density functional theories

Engineering and Physical Sciences Research Council

Find out more...

History

School

  • Science

Department

  • Mathematical Sciences

Published in

The Journal of Chemical Physics

Volume

160

Issue

17

Publisher

AIP Publishing

Version

  • VoR (Version of Record)

Rights holder

© Author(s)

Publisher statement

All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

Acceptance date

2024-04-18

Publication date

2024-05-06

Copyright date

2024

ISSN

0021-9606

eISSN

1089-7690

Language

  • en

Depositor

Prof Andrew Archer. Deposit date: 18 April 2024

Article number

174901

Usage metrics

    Loughborough Publications

    Licence

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC