| Abstract Scope |
High-entropy or compositionally complex ultra-high temperature ceramics, including rocksalt structured MC1-x (where M is an equiatomic or non-equiatomic mixture of metallic elements including Ti, Zr, Hf, Nb, Ta), have recently generated significant interest in their potential tuneable properties. Phase diagrams can provide a useful roadmap for designing mixed carbide systems; however, the complexity of this composition space makes it cumbersome or even impossible to experimentally explore the whole phase diagram. Despite recent strides in the development of theoretical methods for phase diagram calculations, experimental investigation remains essential to validate the predictions for a high-accuracy description. To accelerate the experimental exploration of a mixed carbide system, a preliminary phase diagram is built using first-principles calculations, and its uncertainty is quantified across the composition and temperature space. Guided by this, experimental thermodynamic data is introduced systematically to efficiently reduce the uncertainty, accelerating the determination of a high-accuracy thermodynamic description and phase diagram. |