Numerical investigation on ferroelectric properties of piezoelectric materials using a crystallographic homogenization method

Polycrystalline piezoelectric materials are aggregations of crystal grains and domains with uneven forms and orientations. Therefore, the macroscopic ferroelectric property should be characterized by introducing a microscopic inhomogeneity in the crystal morphology. In this study, a multi-scale finite element modelling procedure based on a crystallographic homogenization method has been proposed for describing a macroscopic property of polycrystalline ferroelectrics with consideration of the crystal morphology at a microscopic scale. The proposed procedure has been applied to two kinds of piezoelectric materials, BaTiO3 and PbTiO3 polycrystals; the influence of microscopic crystal orientations on macroscopic ferroelectric properties was verified numerically. From the computational results, it has been shown that piezoelectric constants of polycrystalline ferroelectrics can be maximized by design of microscopic crystal morphology.

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