Abstract
Abstract The electrocaloric response of KNbO3 is calculated using a first-principles based effective-Hamiltonian. Both indirect and direct molecular dynamics simulations are used to determine the adiabatic temperature change as a function of temperature and applied electric field. Both the magnitude of the electrocaloric response, ΔTmax, and the temperature where the maximum is observed, T*, are comparable for both molecular dynamics approaches. The results are well represented by a simple second-order regression.
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