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High-throughput search for caloric materials: the CaloriCool approach

TitleHigh-throughput search for caloric materials: the CaloriCool approach
Publication TypeJournal Article
Year of Publication2018
AuthorsZarkevich, NA, Johnson, DD, Pecharsky, VK
JournalJournal of Physics D-Applied Physics
Date Published01
Type of ArticleArticle
ISBN Number0022-3727
Accession NumberWOS:000417973900001
Keywordsalloys, caloric materials, chemical-elements, continental-crust, density functional theory, high-throughput search, magnetization, Magnetocaloric, materials, neutron-diffraction measurements, performance, phase-transitions, physics, refrigeration, room-temperature

The high-throughput search paradigm adopted by the newly established caloric materials consortium-CaloriCool (R)-with the goal to substantially accelerate discovery and design of novel caloric materials is briefly discussed. We begin with describing material selection criteria based on known properties, which are then followed by heuristic fast estimates, ab initio calculations, all of which has been implemented in a set of automated computational tools and measurements. We also demonstrate how theoretical and computational methods serve as a guide for experimental efforts by considering a representative example from the field of magnetocaloric materials.

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