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

A. Mizuno, Tadahiko Masaki, T. Itami

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)337-342
Number of pages6
JournalChemical Physics Letters
Volume363
Issue number3-4
DOIs
Publication statusPublished - 2002 Sep 9
Externally publishedYes

Fingerprint

liquid metals
Liquid metals
Electron gas
Liquids
predictions
Entropy
Ions
Electrons
liquids
pseudopotentials
electron gas
entropy
evaluation
ions
electrons
interactions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Theoretical prediction of atomic volume for liquid metals based on the hard sphere model combined with NFE theory. / Mizuno, A.; Masaki, Tadahiko; Itami, T.

In: Chemical Physics Letters, Vol. 363, No. 3-4, 09.09.2002, p. 337-342.

Research output: Contribution to journalArticle

@article{b9a1f435d0b04529b3a9651e8c0df056,
title = "Theoretical prediction of atomic volume for liquid metals based on the hard sphere model combined with NFE theory",
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.",
author = "A. Mizuno and Tadahiko Masaki and T. Itami",
year = "2002",
month = "9",
day = "9",
doi = "10.1016/S0009-2614(02)01210-1",
language = "English",
volume = "363",
pages = "337--342",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",
number = "3-4",

}

TY - JOUR

T1 - Theoretical prediction of atomic volume for liquid metals based on the hard sphere model combined with NFE theory

AU - Mizuno, A.

AU - Masaki, Tadahiko

AU - Itami, T.

PY - 2002/9/9

Y1 - 2002/9/9

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0037048340&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0037048340&partnerID=8YFLogxK

U2 - 10.1016/S0009-2614(02)01210-1

DO - 10.1016/S0009-2614(02)01210-1

M3 - Article

AN - SCOPUS:0037048340

VL - 363

SP - 337

EP - 342

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 3-4

ER -