Density functional theory for freezing of a binary hard sphere liquid
Zeng, X. C. ; Oxtoby, David W.
College Park, Md. : American Institute of Physics (AIP)
Published 1990
College Park, Md. : American Institute of Physics (AIP)
Published 1990
| ISSN: |
1089-7690
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|---|---|
| Source: |
AIP Digital Archive
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| Topics: |
Physics
Chemistry and Pharmacology
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| Notes: |
Our recently proposed effective liquid free energy model (ELFEM) density functional theory is extended to nonuniform binary systems. The theory is based on mapping the excess free energy of a nonuniform binary system onto that of an effective binary liquid. In the uniform density limit, the theory is required to reproduce the known properties of the liquid. The present theory is applied to the freezing of a binary hard sphere liquid into a substitutionally disordered fcc solid. Comparisons with previous density functional investigations and recent computer simulations are made.
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| Type of Medium: |
Electronic Resource
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| URL: |