Calphad-type assessment of the Pd-Yb binary system supported by first-principles calculations – Part II: Results

In the present paper, the thermodynamic properties of the Palladium-Ytterbium binary system were optimized using the CALPHAD approach. The liquid phase and the terminal solid solutions: body-centered cubic for γYb and face-centered cubic for βYb, and (Pd) are described by the substitutional solution model with the exponential (Kaptay model) and linear (Redlich-Kister polynomials) models for the temperature dependence of the excess Gibbs energy. The other intermetallic compounds, PdYb3, α-Pd2Yb5, β-Pd2Yb5, Pd4Yb3, Pd2Yb, α-Pd21Yb10, β-Pd21Yb10, and Pd7Yb are treated as stoichiometric compounds. The thermodynamic properties of the intermetallic compounds at 0 K are predicted using the first-principles approach. Two sets of self consistent thermodynamic parameters for the Palladium-Ytterbium binary system are obtained. With the present thermodynamic descriptions, the thermochemical properties and the phase equilibria are well reproduced.