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

Journal Article · Fri Sep 15 04:00:00 EDT 1989 · Physical Review (Section) B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.40.5909· OSTI ID:5424227

Foiles, S M; Adams, J B ^[1]

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1. Theoretical Division, Sandia National Laboratories, Livermore, California 94551 (US)

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.

• OSTI ID: 5424227
• Journal Information: Physical Review (Section) B: Condensed Matter; (USA), Journal Name: Physical Review (Section) B: Condensed Matter; (USA) Vol. 39:9; ISSN PRBMD; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
COPPER
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
ELEMENTS
ENERGY
EXPANSION
FCC LATTICES
FREE ENTHALPY
GOLD
MELTING POINTS
METALS
NICKEL
PALLADIUM
PHYSICAL PROPERTIES
PLATINUM
PLATINUM METALS
SILVER
THERMAL EXPANSION
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENTS
TRANSITION TEMPERATURE