Thermodynamic properties of fcc transition metals as calculated with the embedded-atom method

S. M. Foiles, J. B. Adams

Research output: Contribution to journalArticle

196 Scopus citations

Abstract

Solid and liquid Gibbs free energies of Cu, Ag, Au, Ni, Pd, and Pt have been calculated through the use of the embedded-atom method, and the results are in good agreement with experiment. The melting points of the materials are calculated from the intersection of the solid and liquid free-energy curves. The values of the melting point are in excellent agreement for the noble metals and in reasonable agreement for Ni, Pd, and Pt. The thermal expansions of the solids are computed and the results are in excellent agreement with experiment over the entire temperature range.

Original languageEnglish (US)
Pages (from-to)5909-5915
Number of pages7
JournalPhysical Review B
Volume40
Issue number9
DOIs
StatePublished - Jan 1 1989
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics

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