Optimizing the electrocaloric effect by ab initio based simulations
Anna Grünebohm, University Duisburg-Essen, Duisburg, Germany
The electrocaloric effect (ECE) is the adiabatic temperature change induced by an electrical field .
Field application may increase (conventional ECE) or reduce (inverse ECE) the temperature  and large responses are often irreversible and restricted to a narrow temperature interval. We report on the optimization of the overall cooling by means of molecular dynamics simulations  focusing on the benefits of substitution and and internal bias fields.
 X. Moya et al., Nature Mater. 13, 439, 2014
 A. Grünebohm et al., Energy Technol. 10.1002/ente.201800166, 2018
 M. Marathe et el. PRB 93, 054110, 2016
Session W2: Wednesday, 27 June 2018
End: 12:30 p.m.