Analysis of γ′/γ equilibrium in Ni−Al−X alloys by the Cluster Variation Method with the Lennard-Jones Potential

Abstract

Various characteristics of γ′/γ phase equilibrium in ternary Ni−Al-X alloys are analyzed by the cluster variation method (CVM) with the phenomenological Lennard-Jones pair potential. Among the eleven alloy elements studied, three types of substitution behavior in γ′,i.e., the preferential substitution for Ni sites (Co and Cu), the almost entire substitution for Al sites (Ti, Nb, Mo, Hf, Ta, and W), and the substitution for both (Cr, Mn, and Fe), are recognized depending upon the relative magnitude of the Ni−X and Al−X interactions. In the last type, the substitution site appears to depend remarkably upon the Al and/or X concentrations in γ′: while X atoms enter preferentially, the Al sublattice in the case that the sum of the two concentations is less than the stoichiometry composition (0.25), they begin to enter the Ni sublattice as the sum exceeds it. The predicted substitution behavior is in good agreement with direct and indirect experimental evidences thus far reported. The direction of γ′/γ equilibrium phase boundaries, the equilibrium partition coefficient of X, and the effects of alloying upon the order-disorder transformation temperature from metastable γ′ to γ all appear to be closely related to substitution behavior. Also, the variation of lattice constants of γ′ and γ with the alloy element concentration may be better understood by collation with the substitution sites or the short range order in each phase.