Optimization of Phase Diagrams

The principles of phase equilibria are central to understand many scientific and technological disciplines and to address the materials design. Thermodynamically they are expressed in terms of the phase diagrams, the geometrical representation of equilibrium relationships in a system over wide ranges of composition and temperatures. The optimal accuracy can be obtained, if all experimental data are taken into account and if thermodynamic consistency exists between all thermodynamic functions of the different phases and the phase diagram. For this purpose a least square optimization technique is widely used.