First principles calculation of thermodynamic properties of noble-metal alloys

T. Mohri, K. Terakura, T. Oguchi, K. Watanabe

研究成果: Article査読

40 被引用数 (Scopus)

抄録

The electronic structure calculation is incorporated in the cluster-variation method, and thermodynamic properties of disorder phase of noble-metal alloys are studied. For Cu-Au and Ag-Au systems, the heats of formation are estimated as functions of concentration, and the influence of short range order on the lattice constant is quantitatively discussed at Cu3Au stoichiometry. For Ag-Cu system, phase diagram is obtained based on the same model.

本文言語English
ページ(範囲)547-553
ページ数7
ジャーナルActa Metallurgica
36
3
DOI
出版ステータスPublished - 1988 3月

ASJC Scopus subject areas

  • 工学(全般)

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