Linear-muffin-tin-orbital and full-potential linearly-augmented plane-wave calculations of cohesive energies were performed for observed and hypothetical ordered structures in the system NiAl-NiTi. Differences in cohesive energies were parametrized in both the Connolly and Williams and {ε}-G approximations, and the resulting effective-cluster interactions were used to calculate theoretical phase diagrams. Long-range ``elastic'' interactions and short-range e/Ieffective-cluster interactions are predicted to be causes of the observed immiscibility between B2 and L2₁ phases.
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Burton et al. (1992) studied this question.
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