Dynamical density functional theory for dense atomic liquids

Details Dynamical density functional theory for dense atomic liquids Dynamical density functional theory for dense atomic liquids

2006-04-25

arxiv.org/abs/cond-mat/0604568v1

J. Phys.: Condens. Matter 18 5617 (2006)

Physics

Condensed Matter

Soft Condensed Matter

14 pages, accepted for publication in J. Phys.: Condens. Matter

Scientific paper

10.1088/0953-8984/18/24/004

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.

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