Journal
JOURNAL OF PHYSICS D-APPLIED PHYSICS
Volume 51, Issue 2, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/1361-6463/aa9bd0
Keywords
caloric materials; density functional theory; high-throughput search
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Funding
- Advanced Manufacturing Office of the Office of Energy Efficiency and Renewable Energy of the U.S. Department of Energy (U.S. DOE)
- Division of Materials Science and Engineering of the Office of Basic Energy Science of the Office of Science of the US DOE [DE-AC02-07CH11358]
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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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