Calphad Modelling of Ceramic Systems

Abstract

Thermodynamic modeling based on the CALPHAD approach is a powerful tool for understanding the behavior and designing materials with optimized properties. This method relies on the availability of relevant Gibbs energy functions. The present work is concerned with developing the Gibbs energy functions for Si-Zr-N and Ti-Zr-N systems. The outcome of implementing such an approach is a set of internally consistent Gibbs energy functions for various phases. These functions are used to build Gibbs energy databases for multicomponent systems that are accessed by Gibbs energy minimization software to compute phase diagrams and thermochemical properties. They can be used to compute the thermochemical and constitutional information that would help in understanding the behavior of these materials and optimizing their compositions for different applications.