The application of the analytic embedded atom method to bcc metals and alloys

Journal Article · Sun Mar 01 04:00:00 EST 1992 · Journal of Materials Research; (United States)

DOI:https://doi.org/10.1557/JMR.1992.0639· OSTI ID:7043590

Guellil, A M; Adams, J B ^[1]

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1. Department of Materials Science and Engineering, University of Illinois, Urbana, Illinois 61801 (United States)

Johnson and Oh have recently developed Embedded Atom Method potentials for bcc metals (Na, Li, K, V, Nb, Ta, Mo, W, Fe). The predictive power of these potentials was first tested by calculating vacancy formation and migration energies. Due to the results of these calculations, some of the functions were slightly modified to improve their fit to vacancy properties. The modified potentials were then used to calculate phonon dispersion curves, surface relaxations, surface energies, and thermal expansion. In addition, Johnson's alloy model, which works well for fcc metals, was applied to the bcc metals to predict dilute heats of solution.

• OSTI ID: 7043590
• Journal Information: Journal of Materials Research; (United States), Journal Name: Journal of Materials Research; (United States) Vol. 7:3; ISSN JMREE; ISSN 0884-2914
• Country of Publication: United States
• Language: English

Related Subjects

665000* -- Physics of Condensed Matter-- (1992-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALLOYS
BCC LATTICES
COMPUTERIZED SIMULATION
CRYSTAL DEFECTS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
DISPERSION RELATIONS
ELEMENTS
ENERGY
EXPANSION
FREE ENERGY
MANY-BODY PROBLEM
METALS
PHONONS
PHYSICAL PROPERTIES
POINT DEFECTS
QUASI PARTICLES
SIMULATION
SURFACE ENERGY
SURFACE PROPERTIES
THERMAL EXPANSION
THERMODYNAMIC PROPERTIES
VACANCIES