The Use of Computational Thermodynamics to Predict Properties of Multicomponent Materials for Nuclear Applications

Computational Thermodynamics is based on physically realistic models to describe metallic and oxide crystalline phases as well as the liquid and the gas in a consistent manner [1]. The models are used to assess experimental and theoretical data for many different materials and several thermodynamic databases has been developed for steels, ceramics, semiconductor materials as well as materials for nuclear applications.