Identification of Material Properties of PZT Single Crystals through Crystallographic Homogenization Method

概要

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Single crystals of lead zirconium titanate (PZT) are difficult to fabricate. Thus, not all material properties of PZT have been fully characterized. In this paper, the mechanical and electrical properties of a PZT single crystal, which can be assumed to be identical to those of a crystal grain in a polycrystal, have been computed from those of a polycrystalline PZT ceramic by the steepest decent method and multiscale finite element modeling based on crystallographic homogenization method. Crystallographic homogenization enables us to predict macroscopic properties of ceramics taking into account the inhomogeneous microstructure of an aggregate of crystal grains. The crystal morphology of the PZT ceramic was measured by the SEM·EBSD technique, and the result was used in the microscopic finite element model. Then, the mechanical and electrical properties of the crystal grain were derived by the steepest decent method so that its macroscopic properties would correspond to the measured properties of the PZT ceramic. The proposed computational method was applied to barium titanate (BT) and validated by comparison of the computed material properties with known properties of the BT single crystal. Finally, the computed material properties, such as the elastic compliance, and the dielectric and piezoelectric constants, were presented for the PZT single crystal.
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