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Updated: Mar 22, 2026

A Fabrication and Measurement Method for a Flexible Ferroelectric Element Based on Van Der Waals Heteroepitaxy
Published on: April 8, 2018
Active learning in latent spaces enables rapid inverse design of ferroelectric ceramics for energy storage
Zhaochen Xi1, Zhentao Wang1, Changqing Guo2
1Multifunctional Materials and Structures, Key Laboratory of the Ministry of Education, School of Electronic Science and Engineering, Xi'an Jiaotong University, Xi'an, Shaanxi, China.
Abstract:
Ferroelectric ceramics are promising energy-storage candidates for miniaturizing high-power electronic systems, yet synergistically enhancing energy density and efficiency remains constrained by intricate coupling between chemical compositions and polarization configurations. Achieving high-throughput compositional exploration while solving real-time polarization dynamics is nearly impossible with traditional simulations due to prohibitive computational costs. Here, we propose an inverse design framework integrating a variational generative model with active learning optimization to accelerate the development of ferroelectrics with enhanced energy-storage performance under limited electric fields. By formulating the time-dependent Ginzburg-Landau equation governing domain structure evolution as conditional sampling within model latent space, achieving synergistic optimization of chemistry and polarization configurations. Through four-round closed-loop synthesis, we successfully obtain Bi0.5Na0.5TiO3-based relaxor-ferroelectrics exhibiting exceptional energy density of ~2.3 J cm-3 and ~80% efficiency at a low field of 200 kV cm-1. This work establishes an efficient, generalizable route for the inverse design of next-generation energy-storage dielectric materials.
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