High throughput exploration of the oxidation landscape in high entropy alloys

The High-Entropy Alloys (HEAs) are seen as future structural materials, critical for high-temperature applications, for example, turbines, compressors, and nuclear reactors. Notably, oxidation in harsh operating conditions, such as high-temperature, becomes a key component to improve the service lifetime of an alloy for any practical application. In this work, we present a high-throughput finite temperature phase-prediction framework (HTPF) and unique Area-Under-the-Curve-2 (AUC2) metric to characterize oxidation resistance in multi-component alloys such as HEAs. HTPF combined with the AUC2 metric allows an in-depth understanding of oxidation reactions, phase fraction, and chemical potential with respect to arbitrary temperature and oxygen concentration (static). Therefore, we believe that this work is of significant importance for the accelerated characterization of oxidation behavior that is critical for designing new structural alloys for applications in an extreme environment. This framework will prove equally important to the materials science community working on the experimental and computational design front.