Sg. Fries et al., THE BRAGG-WILLIAMS-GORSKY (BWG) ORDERING TREATMENT IN THE COMPOUND ENERGY FORMALISM (CEF), Berichte der Bunsengesellschaft fur Physikalische Chemie, 102(9), 1998, pp. 1102-1110
Citations number
15
Categorie Soggetti
Chemistry Physical
Journal title
Berichte der Bunsengesellschaft fur Physikalische Chemie
The BWG type of approximation describing chemical ordering has been av
ailable in thermodynamic calculation-optimisation software. Developmen
ts were done for special cases of symmetry, e.g, the gamma-gamma' orde
ring, based on the fee lattice, in Ni-based superalloys or the beta-be
ta' ordering in the Cu-Zn system, based on the bce lattice. The techno
logical importance of materials presenting order-disorder transformati
ons, demands a versatile Gibbs energy modelling, able to describe the
changes taking place during ordering as functions of composition and t
emperature. Recently practical use of Gibbs energy descriptions of ord
ered phases are becoming a daily procedure. In this communication we p
resent a general method for deriving the constraints in the compound e
nergy formalism (CEF) for the model parameters describing an order-dis
order transformation. The cases discussed include, for example, the ox
ygen ordering in its interstitial solution in alpha-Zr (hcp).