First-principles study of phase stability in Cu-Zn substitutional alloysPhysical Review Letters (1991)
AbstractA parameter-free approach to phase stability in Cu-Zn substitutional alloys is shown to describe order-disorder phenomena and structural transformations with remarkable accuracy. The method is based on a multiple-scattering description of the electronic structure properties of the random alloy. Configurational order is treated within the generalized perturbation method and the concentration-functional theory. Thermodynamical properties of α and β brasses are derived from the cluster variation method. This advanced scheme is of general validity and is expected to yield similarly accurate results for other Hume-Rothery alloys.
Publication DateSeptember 23, 1991
Citation InformationP. E. A. Turchi, M. Sluiter, F. J. Pinski, Duane D. Johnson, et al.. "First-principles study of phase stability in Cu-Zn substitutional alloys" Physical Review Letters Vol. 67 Iss. 13 (1991)
Available at: http://works.bepress.com/duane_johnson/73/