Phase equilibria and thermodynamic functions for Ag–Hg and Cu–Hg binary systems

In order to facilitate the computational design of new amalgams for novel dental alloys, the phase equilibria, phase diagrams and thermodynamic functions for Ag–Hg and Cu–Hg binary systems are explored in this work, based on the CALPHAD framework and experimental characterizations. The Gibbs free energies of the solution phases as well as the stoichiometric phases are calculated, with the aid of enthalpies of mixing, activities, enthalpies of formation, and phase equilibrium data. The thermodynamic descriptions provided in this work enable the stabilities of each phase at various temperatures and compositions to be well described, which contribute to the establishment of a general database to design novel metallic dental materials.

► The thermodynamic properties of Ag–Hg and Cu–Hg are explored in order to facilitate dental materials design.
► A self-consistent set of thermodynamic parameters is obtained.
► The experimental information can be well reproduced by the optimized thermodynamic data.