| Abstract Scope |
The discovery and synthesis of a high entropy oxide comprised of MgO, CoO, NiO, CuO and ZnO has paved the way for innovative multicomponent oxides. Such entropy-driven stabilization can impart a host of unique properties, such as high melting temperatures, radiation resistance and other functional properties. In this presentation, we discuss a computational design strategy for the prediction of synthesizable disordered oxides. Our approach employs first principles calculations of binary oxides to develop design rules based on the relationship between pairwise enthalpies of formation (ΔH) and the configurational entropy of the resulting disordered compounds. This talk will emphasize the exploration of synthesizable entropy-stabilized oxides that exhibit a range of intriguing functional properties. This research was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences (BES), Materials Sciences and Engineering Division (MSED), utilizing resources from NERSC and OLCF. |