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note
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In the thermodynamical assessment of the phase diagram, the θ phase curve is modeled as a substitutional solution of (i) the θ phase with no vacancies and (ii) the θ phase with one of the two Ni sites always filled with a vacancy. The value of the free energy is therefore the sum of (1) the free energy of θ phase with vacancies and the θ phase without vacancies weighed proportionally according to the composition, (2) an entropy term accounting for the mixing of the two phases, and (3) a correction to this second term accounting for the ordering of the vacancies. All those terms were fitted to the curves at high temperatures considering the observed phase compositions and transition temperatures for various concentration (Ref.). Extrapolation to lower temperatures is, however, not possible for this system. For example, the entropy of mixing term (2) extrapolated at 300°C is smaller than the correction term (3). A temperature dependence should therefore be applied, but no thermodynamical data exist for the θ phase below 825°C as it is not stable.
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