TY - JOUR
T1 - Tunable thermal conductivity via domain structure engineering in ferroelectric thin films
T2 - A phase-field simulation
AU - Wang, Jian Jun
AU - Wang, Yi
AU - Ihlefeld, Jon F.
AU - Hopkins, Patrick E.
AU - Chen, Long Qing
N1 - Funding Information:
This work was funded, in-part, by the Laboratory Directed Research and Development Program at Sandia National Laboratories , a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000, and partially supported by Air Force Office of Scientific Research (AFOSR) under grant number FA9550-14-1-0264 . PEH appreciates support from the Air Force Office of Scientific Research ( FA9550-15-1-0079 ). The computations were performed using the Cyberstar cluster at the Pennsylvania State University, funded by the National Science Foundation through Grant OCI-0821527 , and the National Energy Research Scientific Computing Center, funded by the Office of Science of the U.S. Department of Energy through Grant DE-AC02-05CH11231 .
Publisher Copyright:
© 2016 Acta Materialia Inc.
PY - 2016/6/1
Y1 - 2016/6/1
N2 - Effective thermal conductivity as a function of domain structure is studied by solving the heat conduction equation using a spectral iterative perturbation algorithm in materials with inhomogeneous thermal conductivity distribution. Using this proposed algorithm, the experimentally measured effective thermal conductivities of domain-engineered {001}p-BiFeO3 thin films are quantitatively reproduced. In conjunction with two other testing examples, this proposed algorithm is proven to be an efficient tool for interpreting the relationship between the effective thermal conductivity and micro-/domain-structures. By combining this algorithm with the phase-field model of ferroelectric thin films, the effective thermal conductivity for PbZr1-xTixO3 films under different composition, thickness, strain, and working conditions is predicted. It is shown that the chemical composition, misfit strain, film thickness, film orientation, and a Piezoresponse Force Microscopy tip can be used to engineer the domain structures and tune the effective thermal conductivity. Therefore, we expect our findings will stimulate future theoretical, experimental and engineering efforts on developing devices based on the tunable effective thermal conductivity in ferroelectric nanostructures.
AB - Effective thermal conductivity as a function of domain structure is studied by solving the heat conduction equation using a spectral iterative perturbation algorithm in materials with inhomogeneous thermal conductivity distribution. Using this proposed algorithm, the experimentally measured effective thermal conductivities of domain-engineered {001}p-BiFeO3 thin films are quantitatively reproduced. In conjunction with two other testing examples, this proposed algorithm is proven to be an efficient tool for interpreting the relationship between the effective thermal conductivity and micro-/domain-structures. By combining this algorithm with the phase-field model of ferroelectric thin films, the effective thermal conductivity for PbZr1-xTixO3 films under different composition, thickness, strain, and working conditions is predicted. It is shown that the chemical composition, misfit strain, film thickness, film orientation, and a Piezoresponse Force Microscopy tip can be used to engineer the domain structures and tune the effective thermal conductivity. Therefore, we expect our findings will stimulate future theoretical, experimental and engineering efforts on developing devices based on the tunable effective thermal conductivity in ferroelectric nanostructures.
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U2 - 10.1016/j.actamat.2016.03.069
DO - 10.1016/j.actamat.2016.03.069
M3 - Article
AN - SCOPUS:84962788134
SN - 1359-6454
VL - 111
SP - 220
EP - 231
JO - Acta Materialia
JF - Acta Materialia
ER -