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A dynamic DFT approach to generalized diffusion equations in a system with long-ranged and hydrodynamic interactions.

作者信息

Bleibel Johannes, Domínguez Alvaro, Oettel Martin

机构信息

Institut für Angewandte Physik, Auf der Morgenstelle 10, Eberhard Karls Universität, 72076 Tübingen, Germany. Max-Planck-Institut für Intelligente Systeme, Heisenbergstr. 3, 70569 Stuttgart, Germany.

出版信息

J Phys Condens Matter. 2016 Jun 22;28(24):244021. doi: 10.1088/0953-8984/28/24/244021. Epub 2016 Apr 26.

DOI:10.1088/0953-8984/28/24/244021
PMID:27115236
Abstract

We build on an existing approximation scheme to the Smoluchowski equation in order to derive a dynamic density functional theory (DDFT) including two-body hydrodynamic interactions. A generalized diffusion equation and a wavenumber-dependent diffusion coefficient D(k) are derived by linearization in the density fluctuations. The result is applied to a colloidal monolayer at a fluid interface, having bulk-like hydrodynamic interactions and/or interacting via long-ranged capillary forces. In these cases, D(k) shows characteristic singularities as [Formula: see text]. The consequences of these singularities are studied by means of analytical perturbation theory, numerical solution of DDFT and simulations for an explicit example: the capillary collapse of a finite, disk-like distribution of particles. There is in general a good agreement between DDFT and simulations if the initial density distributions for the theoretical prediction correspond to the actual initial configurations of simulations, rather than to an average over them. Otherwise, discrepancies arise that are discussed in detail.

摘要

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