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Published January 3, 2005 | public
Journal Article

A computational model of ferroelectric domains. Part II: grain boundaries and defect pinning


Domain nucleation, domain switching and the hysteretic behavior of ferroelectric polycrystals or ceramics can differ from those in ferroelectric single crystals. This paper extends the model presented in Part I to polycrytals, and uses it to study domain switching in bicrystals that are chosen to model biaxially textured thin films. The results show that the switching behavior in bicrystals is similar to that in single crystals for small misalignment of grains but becomes quite different at larger misalignment.

Additional Information

© 2004 Acta Materialia Inc. Published by Elsevier Ltd. Received 9 July 2004; accepted 4 September 2004; Available online 22 October 2004. This work was largely carried out when WZ held a position at Caltech. The authors thank Prof. G. Ravichandran for numerous discussions and gratefully acknowledge the financial support of the Army Research Office under MURI Grant No. DAAD19-01-1-0517. Some of the computations were conducted in the Computational Materials Science facility of the NSF supported Center for the Science and Engineering of Materials at Caltech.

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