Wang Landau for Real Alloys

ORAL

Abstract

Cluster Expansions are effective in providing fast Hamiltonians for modeling alloys.This enables us to find transition temperatures via Monte Carlo modeling. These Monte Carlo simulations require many tunable parameters that affect the results in non-intuitive ways. A new method proposed by Wang and Landau gives us a much simpler recipe for computing thermodynamic quantities. We demonstrate the power of this approach using the realistic example of the AgPd alloy.

Authors

  • Derek Ostrom

    Brigham Young University - Provo

  • Lance Nelson

    Brigham Young University - Idaho

  • Gus L. W. Hart

    Brigham Young University, Brigham Young Univ - Provo, Brigham Young University - Provo