Multigrain phase-field simulation in ferroelectrics with phase coexistences: An improved phase-field model

被引：8
|
作者：
Fan, Ling [1 ]
Werner, Walter [1 ]
Subotic, Swen [1 ]
Schneider, Daniel [1 ,2 ]
Hinterstein, Manuel [1 ]
Nestler, Britta [1 ,2 ]
机构：
[1] Karlsruhe Inst Technol, Inst Appl Mat, D-76131 Karlsruhe, Germany
[2] Karlsruhe Univ Appl Sci, Inst Digital Mat Sci, D-76133 Karlsruhe, Germany
来源：
COMPUTATIONAL MATERIALS SCIENCE | 2022年 / 203卷
关键词：
Ferroelectric material; Phase-field method; Phase coexistence; SOLID-SOLUTION SYSTEM; CONTROLLED SHAPE-INSTABILITIES; THERMODYNAMIC THEORY; DOMAIN-STRUCTURES; GRAIN-ORIENTATION; MICROSTRUCTURE; STRAIN; TRANSFORMATIONS; EVOLUTION; MECHANISMS;
D O I：
10.1016/j.commatsci.2021.111056
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A new 3D phase-field model is developed to investigate the evolution of the domain structure and phase transformation in a ferroelectric material near the morphotropic phase boundary (MPB) under the influence of external stimuli. The model combines the Landau-Ginzburg-Devonshire (LGD) theory with a general multiphase approach and enables to analytically compute the microstructure inside the grain structures with coexisting phases. Together with experimental analysis, a numerical energy overlap was employed to find the phase-dependent phenomenological coefficients. Domain structures and phase transformations in single crystals, as well as in the polycrystalline systems with or without an external electric field have been investigated in a MPB ferroelectric material, by employing phase-field simulation. The simulated results reveal the relation between the polarization switching and the phase transformation under an applied electric field, and the role of the external electric field orientation and amplitude in the domain structure and the phase transformation fraction.
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收藏
页数：17
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