期刊
JOURNAL OF CHEMICAL PHYSICS
卷 141, 期 17, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4900499
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资金
- Direct For Mathematical & Physical Scien [1105409, 1217273] Funding Source: National Science Foundation
- Division Of Materials Research [1105409] Funding Source: National Science Foundation
- Division Of Mathematical Sciences [1217273] Funding Source: National Science Foundation
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. (C) 2014 AIP Publishing LLC.
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