DOI: 10.5281/zenodo.7122565
title: Dataset: A phase field model combined with genetic algorithm for polycrystalline hafnium zirconium oxide ferroelectrics

description: The folder includes generated data MATLAB scripts to read/plot the polarization-electric field (PE) hysteresis curves. The dataset contains phase field generated polycrystalline grain structure, simulated domain structures during polarization reversal, and symmetric PE curves (measured and simulated). <strong>Polycrystalline grain structures</strong>: The output files are in the *.txt format, readable by MTEX to generate orientation maps.<br> Column(1) Column(2) Column(3) Column(4) Column(5)<br> X Y φ(rad) θ(rad) 𝜓(rad)<br> ... ... ... ... ...<br> ... ... ... ... ...<br> ... ... ... ... ... <strong>Domain structures</strong>: The output files are in the *.csv format, which can be visualized by programs like ParaView.<br> Column(1) Column(2) Column(3) Column(4)<br> X Y Z P<br> ... ... ... ...<br> ... ... ... ...<br> ... ... ... ... <br> <strong>PE curves</strong>: The output files are in the *.txt format, readable by MATLAB.<br> Column(1) Column(2)<br> E(MV/cm) P(μC/cm²)<br> ... ...<br> ... ...<br> ... ... <strong>List of datasets:-</strong><br> Fig. 1: pecurves/calib_func1.txt (Calibrated p(e)), pecurves/measpe_hf50.txt (Measured PE curve), pecurves/simpe_calib.txt (Simulated PE curve).<br> Fig. 2(a): polcr_struc/xy_col.txt (XY top view), polcr_struc/yz_col.txt (YZ side view), polcr_struc/xz_col.txt (ZX side view)<br> Fig. 2(b): pecurves/simpe_gaopt.txt (Simulated PE curve), pecurves/measpe_hf50.txt (Measured PE curve).<br> Fig. 3: pecurves/calib_func.txt (Calibrated p(e)), pecurves/gaopt_func.txt (GA optimized p(e)).<br> Fig. 5: pecurves/simpe_gaopt.txt (Case 1), pecurves/simpe_elast.txt (Case 2).<br> Fig. 4(e): dom_struc/dom_profile1.csv, (f) dom_struc/dom_profile2.csv, (g) dom_struc/dom_profile3.csv, (h) dom_struc/dom_profile4.csv, (m) dom_struc/dom_profile5.csv, (n) dom_struc/dom_profile6.csv, (o) dom_struc/dom_profile7.csv, (p) dom_struc/dom_profile8.csv<br> Fig. 6: pecurves/simpe_gaopt.txt (GA fit coefficients), pecurves/simpe_ldc1.txt (Set 1), pecurves/simpe_ldc2.txt (Set 2).<br> Fig. 7(a): pecurves/simpe_gaopt.txt (𝝂₀ = 1.0), pecurves/simpe_fr80.txt (𝝂₀ = 0.8), pecurves/simpe_fr50.txt (𝝂₀ = 0.5).<br> Fig. 7(b): pecurves/measpe_hf50.txt (Hf₀.₅Zr₀.₅O₂), pecurves/measpe_hf75.txt (Hf₀.₇₅Zr₀.₂₅O₂).<br> Fig. 8: pecurves/simpe_fr38.txt (Simulated PE curve), pecurves/measpe_hf75.txt (Measured PE curve).<br> Fig. 9: pecurves/simpe_gaopt.txt (Random non-textured), pecurves/simpe_tex001.txt ([001] fiber textured), pecurves/simpe_tex111.txt ([111] fiber textured).<br> Fig. 10(a): polcr_struc/xy_equ.txt (XY top view), polcr_struc/yz_equ.txt (YZ side view), polcr_struc/xz_equ.txt (ZX side view)<br> Fig. 10(b): pecurves/simpe_colmor.txt (Columnar grain microstructure), pecurves/simpe_equmor.txt (Equiaxed grain microstructure). <strong>List of MATLAB scripts:</strong><br> Fig 1: matlab_scripts/fig1.m<br> Fig 2(b): matlab_scripts/fig2b.m<br> Fig 3: matlab_scripts/fig3.m<br> Fig 5: matlab_scripts/fig5.m<br> Fig 6: matlab_scripts/fig6.m<br> Fig 7(a): matlab_scripts/fig7a.m<br> Fig 7(b): matlab_scripts/fig7b.m<br> Fig 8: matlab_scripts/fig8.m<br> Fig 9: matlab_scripts/fig9.m<br> Fig 10(b): matlab_scripts/fig10b.m<br>
description: Funding: This research was supported by National Research Foundation of Korea (NRF) grant funded by Ministry of Science and ICT (MSIT) of the Republic of Korea (Nos. NRF-2019R1A2C1089593, NRF-2020M3H4A3106736, NRF-2021M3H4A6A01045764) Paper: A phase field model combined with genetic algorithm for polycrystalline hafnium zirconium oxide ferroelectrics DOI: https://doi.org/10.1039/d2nr02678c