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Please use this identifier to cite or link to this item: https://dspace.lboro.ac.uk/2134/15984

Title: Dynamical density functional theory for dense atomic liquids
Authors: Archer, Andrew J.
Issue Date: 2006
Publisher: © IOP Publishing Ltd
Citation: ARCHER, A.J., 2006. Dynamical density functional theory for dense atomic liquids. Journal of Physics Condensed Matter, 18 (24), pp. 5617 - 5628.
Abstract: Starting from Newton's equations of motion, we derive a dynamical density functional theory (DDFT) applicable to atomic liquids. The theory has the feature that it requires as input the Helmholtz free energy functional from equilibrium density functional theory. This means that, given a reliable equilibrium free energy functional, the correct equilibrium fluid density profile is guaranteed. We show that when the isothermal compressibility is small, the DDFT generates the correct value for the speed of sound in a dense liquid. We also interpret the theory as a dynamical equation for a coarse grained fluid density and show that the theory can be used (making further approximations) to derive the standard mode coupling theory that is used to describe the glass transition. The present theory should provide a useful starting point for describing the dynamics of inhomogeneous atomic fluids.
Description: This article was published in the Journal of Physics: Condensed Matter [© IOP Publishing Ltd] and the definitive version is available at: http://dx.doi.org/10.1088/0953-8984/18/24/004
Sponsor: EPSRC grant number GR/S28631/01
Version: Submitted for publication
DOI: 10.1088/0953-8984/18/24/004
URI: https://dspace.lboro.ac.uk/2134/15984
Publisher Link: http://dx.doi.org/10.1088/0953-8984/18/24/004
ISSN: 0953-8984
Appears in Collections:Published Articles (Maths)

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