The nonstoichiometric ζ-Ni2In phase with B82-structure: thermodynamic modeling

The Gibbs energy of the intermetallic ζ-Ni2In phase with B82-structure in the system indium–nickel was modeled as a function of temperature and composition between 298 K and the liquidus temperatures and at a total pressure of 1 bar. A three-sublattice approach was chosen to account for the B82-structure. All available experimental thermodynamic information as well as data about phase equilibria with neighboring phases were applied to optimize the adjustable quantities of the model. Simultaneously the Gibbs energy functions of five adjacent phases were optimized, and analytical expressions for the nickel-rich solid solution, the liquid phase and three intermetallic compounds are presented as well. The gas phase was treated as thermodynamically ideal. All calculations were performed using ChemSage.