Theoretical prediction of atomic volume for liquid metals based on the hard sphere model combined with NFE theory

A. Mizuno; T. Masaki; T. Itami

doi:10.1016/S0009-2614(02)01210-1

Theoretical prediction of atomic volume for liquid metals based on the hard sphere model combined with NFE theory

A. Mizuno, T. Masaki, T. Itami

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

The volume of liquid metals was theoretically calculated based on the hard sphere model immersed in the uniform background potential of electron gas. The electron-ion interaction was approximated by a simple empty core model pseudopotential. The effect of entropy was taken into account for the evaluation of the volume of liquids. The calculated atomic volume is in good agreement with the experimental volume for liquid metals investigated even for liquid group 14 elements.

Original language	English
Pages (from-to)	337-342
Number of pages	6
Journal	Chemical Physics Letters
Volume	363
Issue number	3-4
DOIs	https://doi.org/10.1016/S0009-2614(02)01210-1
Publication status	Published - 2002 Sep 9
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/S0009-2614(02)01210-1

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abstract = "The volume of liquid metals was theoretically calculated based on the hard sphere model immersed in the uniform background potential of electron gas. The electron-ion interaction was approximated by a simple empty core model pseudopotential. The effect of entropy was taken into account for the evaluation of the volume of liquids. The calculated atomic volume is in good agreement with the experimental volume for liquid metals investigated even for liquid group 14 elements.",

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