Modeling-guided understanding microstructure effects in energy storage dielectrics

Abstract

Addressing the relationships between microstructures and properties is critical to the design of novel dielectric capacitors, which further enables widespread promising applications in electronic and electrical systems. The present review focuses on the role of different theoretical modeling techniques in understanding microstructural effects in energy storage dielectrics. State-of-the-art developments in the computational modeling of inorganics, polymers and their composite dielectrics are summarized. Diverse microstructural effects, including domain configurations, crystallization behavior and composite structures, are discussed with regards to different models. Theoretical modeling is not only essential for gaining fundamental insights into the underlying mechanisms behind experimental phenomena but can also be used to inversely engineer the design of dielectrics by prediction or optimization. Finally, to further promote innovative developments in dielectric capacitors, some future perspectives are provided to stimulate the in-depth consideration of the research paradigm between modeling and experiment.

Keywords

Theoretical modeling / microstructural effects / energy storage / dielectric capacitors

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