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- W4386418435 endingPage "105426" @default.
- W4386418435 startingPage "105426" @default.
- W4386418435 abstract "We present the results of high-resolution simulations of the ferroelectric domain evolution in polycrystalline lead zirconate titanate (PZT), using a phase-field framework that accounts for thermal fluctuations. Leveraging the parallel efficiency of a Fourier spectral scheme, we model micron-sized ceramic samples with thousands of grains at atomic-unit-cell spatial resolution. We introduce a method to automatically identify and track different types of domain walls from phase-field data, which we exploit to study their role during polarization reversal under applied electric fields. Results indicate that the density of domain walls and the domain width obey the Kittel-Mitsui-Furuichi-Roitburd square-root law with implications on the macroscopically observable piezo- and dielectric material properties. Moreover, analyzing the statistics of the domain pattern formation in simulated samples reveals correlations between the average polarization and strain within a grain and its crystallographic orientation, which is in agreement with high-energy x-ray diffraction experiments. Furthermore, we study the occurrence of the two predominant types of domain patterns—monodomain and laminate/twin domain structures—whose emergence within gains of a polycrystal is traced back to the grain orientation. Phase-field statistics are supported by a simple analytical model, which is based on minimizing the electric enthalpy and accurately predicts some of the reported correlations and allows us to further study the behavior of monodomains vs. laminate patterns in ferroelectric ceramics." @default.
- W4386418435 created "2023-09-05" @default.
- W4386418435 creator A5059841422 @default.
- W4386418435 creator A5083881460 @default.
- W4386418435 creator A5092824059 @default.
- W4386418435 date "2023-12-01" @default.
- W4386418435 modified "2023-09-27" @default.
- W4386418435 title "Domain pattern formation in tetragonal ferroelectric ceramics" @default.
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