期刊
ACTA MATERIALIA
卷 186, 期 -, 页码 609-615出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2020.01.019
关键词
BaZrxTi1-xO3 solid solutions; Thermodynamic potential; Phase-field simulation; Phase transition; Domain structure
资金
- National Natural Science Foundation of China [51572237, 51802280]
- NSFC-Zhejiang Joint Fund for the Integration of Industrialization and Informatization [U1909212]
- National Key R&DProgram of China [2018YFC0114902]
- Natural Science Foundation of Zhejiang Province [LZ17E020003]
- Army Research Office [W911NF-17-1-0462]
- China Scholarship Council
While extensive experimental activities have been carried out to study the phase transitions and ferroelectric properties of BaZrxTi1-xO3 solid solutions, the corresponding theoretical understanding is largely lacking due to the unavailability of thermodynamic potentials for this system. In this work, an eighth-order polynomial of thermodynamic potential for BaZrxTi1-xO3 (x <= 0.3) solid solutions is established based on the existing potential coefficients of BaTiO3 and theexperimentally measured phase diagram of BaZrxTi1-xO3 solid solutions. It is then employed to predict and understand the domain structures and switching for BaZrxTi1-xO3 (x <= 0.3) single crystals using phase-field simulations. The simulated domain structures and switching are consistent with thermodynamic analysis and available experimental measurements, validating the established thermodynamic potential. It is expected that this thermodynamic potential will find wide applications to studying the phase transitions and ferroelectric properties of BaZrxTi1-xO3 (x <= 0.3) bulk and nanoscale materials. (C) 2020 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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