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Title: Tunable thermal conductivity via domain structure engineering in ferroelectric thin films: A phase-field simulation

Abstract

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. Furthermore, 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.

Authors:
 [1];  [1];  [2];  [3];  [1]
  1. The Pennsylvania State Univ., University Park, PA (United States)
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  3. Univ. of Virginia, Charlottesville, VA (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1332949
Alternate Identifier(s):
OSTI ID: 1357666
Report Number(s):
SAND-2016-11287J
Journal ID: ISSN 1359-6454; PII: S1359645416302361
Grant/Contract Number:  
AC04-94AL85000; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Acta Materialia
Additional Journal Information:
Journal Volume: 111; Journal Issue: C; Journal ID: ISSN 1359-6454
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; thermal conductivity; phase-field method; ferroelectric thin film; BiFeO3; PZT

Citation Formats

Wang, Jian -Jun, Wang, Yi, Ihlefeld, Jon F., Hopkins, Patrick E., and Chen, Long -Qing. Tunable thermal conductivity via domain structure engineering in ferroelectric thin films: A phase-field simulation. United States: N. p., 2016. Web. doi:10.1016/j.actamat.2016.03.069.
Wang, Jian -Jun, Wang, Yi, Ihlefeld, Jon F., Hopkins, Patrick E., & Chen, Long -Qing. Tunable thermal conductivity via domain structure engineering in ferroelectric thin films: A phase-field simulation. United States. doi:10.1016/j.actamat.2016.03.069.
Wang, Jian -Jun, Wang, Yi, Ihlefeld, Jon F., Hopkins, Patrick E., and Chen, Long -Qing. Wed . "Tunable thermal conductivity via domain structure engineering in ferroelectric thin films: A phase-field simulation". United States. doi:10.1016/j.actamat.2016.03.069. https://www.osti.gov/servlets/purl/1332949.
@article{osti_1332949,
title = {Tunable thermal conductivity via domain structure engineering in ferroelectric thin films: A phase-field simulation},
author = {Wang, Jian -Jun and Wang, Yi and Ihlefeld, Jon F. and Hopkins, Patrick E. and Chen, Long -Qing},
abstractNote = {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. Furthermore, 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.},
doi = {10.1016/j.actamat.2016.03.069},
journal = {Acta Materialia},
number = C,
volume = 111,
place = {United States},
year = {2016},
month = {4}
}

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