Molecular-dynamics study of self-diffusion in liquid transition metals

Journal Article · Wed Nov 14 23:00:00 EST 1990 · Physical Review, B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.42.9682· OSTI ID:6197099

Mei, J ^[1]; Davenport, J W ^[2]

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1. Department of Physics, State University of New York at Stony Brook, Stony Brook, New York 11794-3800 (USA)
2. Department of Physics, Brookhaven National Laboratory, Upton, NY (USA)

Molecular-dynamics simulations on liquid transition metals were performed with use of Johnson's analytic nearest-neighbor embedded-atom model. The coefficients of self-diffusion for Cu, Ag, Au, Ni, Pd, and Pt at their melting points were computed. The temperature dependence of the self-diffusivity for liquid copper has been studied with the value of the activation energy in good agreement with experiments.

• DOE Contract Number: AC02-76CH00016
• OSTI ID: 6197099
• Journal Information: Physical Review, B: Condensed Matter; (USA), Journal Name: Physical Review, B: Condensed Matter; (USA) Vol. 42:15; ISSN 0163-1829; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ANALYTICAL SOLUTION
COMPUTERIZED SIMULATION
COPPER
DIFFUSION
ELEMENTS
FLUIDS
GOLD
LIQUID METALS
LIQUIDS
METALS
NICKEL
PALLADIUM
PLATINUM
PLATINUM METALS
SELF-DIFFUSION
SILVER
SIMULATION
TEMPERATURE DEPENDENCE
TRANSITION ELEMENTS