Towards Pareto optimal high entropy hydrides <i>via</i> data-driven materials discovery
Matthew Witman, Sanliang Ling, Matthew D. Wadge, Anis Bouzidi, Nayely Pineda-Romero, Rebecca Clulow, Gustav Ek, Jeffery M. Chames, Emily J. Allendorf, Sapan Agarwal, Mark D. Allendorf, Gavin S. Walker, David M. Grant, Martin Sahlberg, Claudia Zlotea, Vitalie Stavila
Abstract
Data-driven predictions of metal hydride thermodynamic properties elucidate the Pareto optimal front of high entropy alloy candidates for hydrogen storage.
Topics & Concepts
Hydrogen storageHydrideEntropy (arrow of time)Pareto principleAlloyThermodynamicsPareto optimalMulti-objective optimizationMaterials scienceMetalMetallurgyMathematicsPhysicsMathematical optimizationHydrogen Storage and MaterialsMachine Learning in Materials ScienceNuclear Materials and Properties