31 March 2009 Computational phase-field modeling of defect interactions in ferroelectrics
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A continuum thermodynamics framework is presented to model the evolution of domain structures in active/smart materials. To investigate the consequences of the theories, fundamental defect interactions are studied. A principle of virtual work is specified for the theory and is implemented to devise a finite element formulation. For ferroelectrics, the theory and numerical methods are used to investigate the interactions of 180° and 90° domain walls with arrays of charged defects and dislocations to determine how strongly domain walls are electromechanically pinned by the arrays of defects. Additionally, the problems of nucleation and growth of domains from crack tips, and the propagation of domain needles are studied. The importance of adaptive mesh refinement and coarsening is discussed in the context of this modeling approach.
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Antonios Kontsos, Wenyuan Li, and Chad M. Landis "Computational phase-field modeling of defect interactions in ferroelectrics", Proc. SPIE 7289, Behavior and Mechanics of Multifunctional Materials and Composites 2009, 72890D (31 March 2009); doi: 10.1117/12.816127; https://doi.org/10.1117/12.816127

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