Effect of grain orientation and grain size on ferroelectric domain switching and evolution: Phase field simulations

• Published in: Acta materialia Vol. 55; no. 4; pp. 1415 - 1426
• Main Authors: Choudhury, S., Li, Y.L., Krill, C., Chen, L.Q.
• Format: Journal Article
• Language: English
• Published: Oxford Elsevier Ltd 01.02.2007; Elsevier Science
• Subjects: Applied sciences; Ceramics; Coercive force; Electric fields; Evolution; Exact sciences and technology; Ferroelectric domains; Ferroelectricity; Grain boundaries; Grain orientation; Metals. Metallurgy; Phase field models; Simulation; Switching; Grain boundaries; Phase field models; Ferroelectricity; Ceramics; Grain size; Simulation; Grain orientation; Microstructure; Ceramic materials; Modeling; Switching; Grain boundary
• ISSN: 1359-6454; 1873-2453
• DOI: 10.1016/j.actamat.2006.09.048

Phase field simulations were conducted in order to understand the effect of grain orientation, grain boundary and grain size on ferroelectric domain switching, stress distribution and evolution behavior under an applied electric field. Tetragonal ferroelectric domains were considered. Hysteresis loops were obtained for a single crystal, a bi-crystal and a polycrystal and the differences in their coercive fields were examined. It was found that the magnitude of the coercive field was closely related to the domain structures at the maximum electric field. Nucleation of new domains at a grain boundary led to local high stress. The effect of a reduced ferroelectric transition temperature at the grain boundary on the polarization distribution, domain structure and switching was studied.