Materials Modeling Tool for Alloy Design to Streamline the Development of High Temperature, High-Entropy Alloys for Advanced Propulsion Systems

The recent alloy developments involving high entropy alloys (HEAs) are paving the way for the development of high temperature refractory metal alloys with stable single phase microstructures at ambient conditions. Development of HEAs is an emerging field and our understanding of these new materials is still very limited and preliminary. During past decades, much attention has been given to MoSiB alloy systems as they are recognized as the potential of next generations alloys with superior thermal resistance, oxidation resistance, and creep resistance. We, therefore, propose a materials modeling tool which aims at developing an integrated experimental-computational material design framework to streamline the development of such alloys. The proposed research will result in the construction and validation of a thermodynamic database specifically designed for MoSiBXY HEAs. Such database will offer quantitative predictions of phase stability. We will further focus on optimizing creep, strength, and oxidation performance of the newly designed HEA system.