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Density-functional theory of a lattice-gas model with vapour, liquid, and solid phases

✍ Scribed by Prestipino, Santi; Giaquinta, Paolo V

Book ID
111688476
Publisher
Institute of Physics
Year
2003
Tongue
English
Weight
395 KB
Volume
15
Category
Article
ISSN
0953-8984

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πŸ“œ SIMILAR VOLUMES

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Towards a Molecular Theory of the Solid–Liquid Phase Boundary. Structural Theory and Effective Lattice Models
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## Abstract From the molecular, structural theory, an unrestricted quadratic Ising model is derived the subcritical region of which enables a semi‐quantitative description of the f.c.c. crystalline phase in coexistence with its melt including the interface between them for simple one‐component syst

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The lattice-gas model predicts that a certain chemical potential is constant along the liquid-vapour coexistence tine. It is shown that this is true to a few percent for two simulated atomic liquids and for several real liquids (argon, nitrogen and hydrogen chloride). More complex liquids (water) sh