Assessment of the thermodynamic properties and phase diagram of the Bi–Pd system

New experimental DTA, XRD, SEM, solution calorimetry and ab initio calculated results are used together with data from the literature to assess the thermodynamic parameters of the Bi–Pd system, necessary for calculation of the phase diagram by the CALPHAD method. Samples were prepared with compositions of 51 and 82 at.% Pd, and their homogeneity checked by SEM/EDX before being employed in DTA studies. High temperature solution calorimetry was used for the determination of the enthalpies of mixing of liquid Pd and Bi, in the range from 0 up to 50 at.% Pd at 1028 K. XRD determination of the structures of equilibrated samples after quenching to room temperature provided important information for the evaluation of structure. Ab initio electronic structure calculations provided information on the energetics of the intermetallic phases of the system. The calculated phase diagram was compared with new phase equilibrium data and with the data presented in the literature.