Kinetic density functional theory of freezing.
A theory of freezing of a dense hard sphere gas is presented. Starting from a revised Enskog theory, hydrodynamic equations that account for non-local variations in the density but local variations in the flow field are derived using a modified Chapman Enskog procedure. These hydrodynamic equations, which retain structural correlations, are shown to be effectively a time dependent density functional theory. The ability of this theory to capture the solid liquid phase transition is established through analysis and numerical simulations.
Department of Mathematics, University of California Irvine, Irvine, California 92697-3875, USA.
Arvind
A
Baskaran
Martin Fisher School of Physics, Brandeis University, Waltham, Massachusetts 02454, USA.
Aparna
A
Baskaran
Department of Mathematics, University of California Irvine, Irvine, California 92697-3875, USA.
John
J
Lowengrub