On the Site Preferences of Ternary Additions to Triple Defect B2 Intermetallic Compounds

"Knowledge of the site preference of ternary solute additions is essential to developing an understanding of how these solutes affect the properties of B2 intermetallic compounds. A quasichemical model will be presented which is able to predict the site preferences of dilute solute additions to tliple defect B2 compounds. The only parameters required are enthalpies of formation at the stoichiometric composition. General equations are developed which can be used to determine site occupations and defect concentrations for dilute as well as non-dilute solute additions. These equations use atom pair bond enthalpies as the parameters. It is found that the site preferences of dilute additions are not always in agreement with predictions based on the solubility lobes in ternary Gibbs isothelms. Predictions for dilute additions to NiAl and FeAl are compared to expel1mental results found in the literature. Satisfactory correlation is found between the model and the experimental results. In addition, the predictions from the model on vacancy concentrations in Fe doped NiAl are compared to recent experimental results by the authors.1.0 IntroductionIntennetallic compounds with the B2 crystal structure such as NiAl and FeAl have been investigated recently for possible use as structural materials in high temperature, oxidizing, and/or corrosive environments. The major limiting property of these materials has been a lack of sufficient room temperature ductility. Attempts to improve the ductility have often been made through ternary or higher order alloying. For B2 compounds, substitutional alloying additions can occupy either of the two sublattices and this site occupancy can be crucial in determining how the alloying addition affects the properties of the alloy. In this manuscript we will discuss the use of thelmodynamic modeling to predict the site occupancies of ternary alloying additions in B2 compounds with the triple defect structure."