Calphad modeling

Since industrial material processes often involve complex chemical reactions not yet studied, thermodynamic software that can predict phase equilibria in complex multicomponent systems is a very practical tool in the optimization of material processes. At ICMATE, the thermodynamic optimization (modeling) based on the CALPHAD method is widely used in order to obtain one self-consistent set of model equations for the Gibbs energies which best reproduce the data for all phases as functions of temperature and composition providing good estimates for unexplored phase diagram and thermodynamic properties in low-order or high-order systems.

ACTIVITIES:

• Prediction and comparison therodynamic properties of metal systems (alloys).
• Assessment of thermodynamic databases including metallic and ceramic elements, oxides, etc.
• Thermodynamic prediction and interpretation of liquid-solid interactions at high temperatures: phase diagrams, cooling plots, phase equilibria, Scheil-Gulliver plots.
• Thermodynamic prediction and interpretation of liquid-solid interactions at high temperatures between similar and dissimilar materials: phase diagrams, cooling plots, phase equilibria.