A Perturbation Model of Gradient Energy Anisotropy for Phase-Field Simulation of Ferroelectrics.

Xiaoming Shi, Jiecheng Liu, Ke Xu, Haoyu Wang, Zheng Wang, Nan Wang, Houbing Huang, Zhuhong Liu

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Article in Materials (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

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1citing papers in PubMed

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1 citing paper in PubMed.

Strain-Engineered Phase Diagrams in (SrTiONanomaterials (Basel, Switzerland) · 2026
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8 authors.

Xiaoming ShiDepartment of Physics, University of Science and Technology Beijing, Beijing 100083, China.

Jiecheng LiuDepartment of Physics, University of Science and Technology Beijing, Beijing 100083, China.

Ke XuSchool of Interdisciplinary Science, Beijing Institute of Technology, Beijing 100081, China.ORCID 0000-0002-6602-3382

Haoyu WangDepartment of Physics, University of Science and Technology Beijing, Beijing 100083, China.

Zheng WangSchool of Science, Guilin University of Aerospace Technology, Guilin 541004, China.ORCID 0000-0002-0621-3678

Nan WangDepartment of Materials Science and Engineering, Guangdong Technion-Israel Institute of Technology, Shantou 515063, China.

Houbing HuangSchool of Interdisciplinary Science, Beijing Institute of Technology, Beijing 100081, China.

Zhuhong LiuDepartment of Physics, University of Science and Technology Beijing, Beijing 100083, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The efficient and accurate description of gradient energy anisotropy remains a significant challenge in the phase-field modeling of ferroelectric/antiferroelectric (FE/AFE) composite systems. To address this limitation, we have developed a perturbation model for solving anisotropic gradient energy based on Fourier spectral methods. Through a Fourier-space perturbation scheme, we achieve the ability to treat the full anisotropic gradient energy tensor with spatial variations, overcoming limitations of previous constant-coefficient or isotropic approximations. The application of this model to FE/AFE composites demonstrates exceptional robustness and convergence efficiency. Numerical results indicate that the proposed perturbation scheme can accurately reproduce antiferroelectric phase diagrams and AFE-FE phase transition pathways under varying gradient energy parameters. Furthermore, the algorithm exhibits superior scalability, allowing for a seamless extension to three-dimensional (3D) simulation domains. This capability facilitates the visualization of complex nanodomain structures and reveals the intricate 3D evolution mechanisms of polarization textures.

Indexed as

anisotropic gradient tensorantiferroelectricperturbation model

Identifiers

PMID41976732

DOI10.3390/ma19071445

PMCPMC13074933

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