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

A. M. Guellil, J. B. Adams

Research output: Contribution to journalArticlepeer-review

137 Scopus citations

Abstract

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.

Original languageEnglish (US)
Pages (from-to)639-652
Number of pages14
JournalJournal of Materials Research
Volume7
Issue number3
DOIs
StatePublished - Mar 1992
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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