High-throughput search for caloric materials: the CaloriCool approach

Zarkevich, Nikolai A.; Johnson, Duane D.; Pecharsky, V. K.

doi:10.1088/1361-6463/aa9bd0

High-throughput search for caloric materials: the CaloriCool approach

Journal Article · Tue Dec 12 23:00:00 EST 2017 · Journal of Physics. D, Applied Physics

DOI:https://doi.org/10.1088/1361-6463/aa9bd0· OSTI ID:1415791

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Ames Lab. and Iowa State Univ., Ames, IA (United States)
Ames Lab. and Iowa State Univ., Ames, IA (United States); Iowa State Univ., Ames, IA (United States). Dept. of Materials Science and Engineering

The high-throughput search paradigm adopted by the newly established caloric materials consortium—CaloriCool^®—with the goal to substantially accelerate discovery and design of novel caloric materials is briefly discussed. Here, 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.

View Accepted Manuscript (DOE)

Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1415791

Report Number(s):: IS-J--9491

Journal Information:: Journal of Physics. D, Applied Physics, Journal Name: Journal of Physics. D, Applied Physics Journal Issue: 2 Vol. 51; ISSN 0022-3727

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Energy Applications of Magnetocaloric Materials Kitanovski, Andrej Advanced Energy Materials, Vol. 10, Issue 10 https://doi.org/10.1002/aenm.201903741	journal	March 2020
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Features of the Behavior of the Barocaloric Effect near Ferroelectric Phase Transition Close to the Tricritical Point Mikhaleva, E. A.; Flerov, I. N.; Gorev, M. V. Crystals, Vol. 10, Issue 1 https://doi.org/10.3390/cryst10010051	journal	January 2020
Novel Mechanocaloric Materials for Solid-State Cooling Applications Cazorla, Claudio arXiv https://doi.org/10.48550/arxiv.1906.02363	preprint	January 2019

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