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Predicting the effective response of bulk polycrystalline ferroelectric ceramics via improved spectral phase field methods

Vidyasagar, A. and Tan, W. L. and Kochmann, D. M. (2017) Predicting the effective response of bulk polycrystalline ferroelectric ceramics via improved spectral phase field methods. Journal of the Mechanics and Physics of Solids, 106 . pp. 133-151. ISSN 0022-5096. http://resolver.caltech.edu/CaltechAUTHORS:20170627-093545569

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Abstract

Understanding the electromechanical response of bulk polycrystalline ferroelectric ceramics requires scale-bridging approaches. Recent advances in fast numerical methods to compute the homogenized mechanical response of materials with heterogeneous microstructure have enabled the solution of hitherto intractable systems. In particular, the use of a Fourier-based spectral method as opposed to the traditional finite element method has gained significant interest in the homogenization of periodic microstructures. Here, we solve the periodic, electro-mechanically-coupled boundary value problem at the mesoscale of polycrystalline ferroelectrics in order to extract the effective response of barium titanate (BaTiO3) and lead zirconate titanate (PZT) under applied electric fields. Results include the effective electric hysteresis and the associated butterfly curve of strain vs. electric field for mean stress-free electric loading. Computational predictions of the 3D polycrystalline response show convincing agreement with our experimental electric cycling and strain hysteresis data for PZT-5A. In addition to microstructure-dependent effective physics, we also show how finite-difference-based approximations in the spectral solution scheme significantly reduce instability and ringing phenomena associated with spectral techniques and lead to spatial convergence with h-refinement, which have been major challenges when modeling high-contrast systems such as polycrystals.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://doi.org/10.1016/j.jmps.2017.05.017DOIArticle
http://www.sciencedirect.com/science/article/pii/S0022509617300595PublisherArticle
ORCID:
AuthorORCID
Kochmann, D. M.0000-0002-9112-6615
Additional Information:© 2017 Elsevier Ltd. Received 20 January 2017, Revised 25 April 2017, Accepted 29 May 2017, Available online 30 May 2017.
Subject Keywords:Ferroelectric; Polycrystal; Homogenization; Spectral method
Record Number:CaltechAUTHORS:20170627-093545569
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20170627-093545569
Official Citation:A. Vidyasagar, W.L. Tan, D.M. Kochmann, Predicting the effective response of bulk polycrystalline ferroelectric ceramics via improved spectral phase field methods, Journal of the Mechanics and Physics of Solids, Volume 106, September 2017, Pages 133-151, ISSN 0022-5096, https://doi.org/10.1016/j.jmps.2017.05.017. (http://www.sciencedirect.com/science/article/pii/S0022509617300595)
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:78600
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:27 Jun 2017 16:43
Last Modified:27 Jun 2017 16:43

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