Co-modulated interface binding energy and electric field distribution of layer-structured PVDF–LDPE dielectric composites with BaTiO<sub>3</sub>: experiment and multiscale simulations

doi:10.1007/s11706-023-0657-5

Front. Mater. Sci.

2023, Vol. 17

Issue (3) : 230657 https://doi.org/10.1007/s11706-023-0657-5

RESEARCH ARTICLE

Co-modulated interface binding energy and electric field distribution of layer-structured PVDF–LDPE dielectric composites with BaTiO₃: experiment and multiscale simulations

Ruitian Bo¹, Chunfeng Wang¹, Yongliang Wang¹, Peigang He², Zhidong Han^1,³(

)

¹. School of Materials Science and Chemical Engineering, Harbin University of Science and Technology, Harbin 150040, China
². School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China
³. Key Laboratory of Engineering Dielectrics and Its Application (Ministry of Education), Harbin University of Science and Technology, Harbin 150080, China

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Abstract

The layer-structured composites were built by the dielectric and insulating layers composed of polyvinylidene fluoride (PVDF) and low-density polyethylene (LDPE) composites containing barium titanate (BT) to modulate the dielectric and energy storage properties of the composites. The simulations on the interface models for molecular dynamics and the geometric models for finite element analysis were performed together with the experimental characterization of the morphology, dielectric, and energy storage properties of the composites. The results revealed that polyethylene as an insulating layer played a successful role in modulating dielectric permittivity and breakdown strength while BT particles exerted positive effects in improving the miscibility between the composed layers and redistributing the electric field. The strong interface binding energy and the similar dielectric permittivity between the PVDF layer and the BT20/LDPE layer made for the layer-structured composites with a characteristic breakdown strength (E_b) of 188.9 kV·mm⁻¹, a discharge energy density (U_d) of 1.42 J·cm⁻³, and a dielectric loss factor (tanδ) of 0.017, which were increased by 94%, 141%, and decreased by 54% in comparison with those of the BT20/PVDF composite, respectively.

Keywords dielectric composite layer structure low-density polyethylene polyvinylidene fluoride molecular dynamics simulation finite element analysis

Corresponding Author(s): Zhidong Han

Issue Date: 06 September 2023

Cite this article:

Ruitian Bo,Chunfeng Wang,Yongliang Wang, et al. Co-modulated interface binding energy and electric field distribution of layer-structured PVDF–LDPE dielectric composites with BaTiO₃: experiment and multiscale simulations[J]. Front. Mater. Sci., 2023, 17(3): 230657.

URL:

https://academic.hep.com.cn/foms/EN/10.1007/s11706-023-0657-5
https://academic.hep.com.cn/foms/EN/Y2023/V17/I3/230657

Fig.1 Schematic process in preparing the layer-structured composites of BT20/PVDF–LDPE.

Fig.2 The initial models of (a) PVDF macromolecular chain, (b) LDPE macromolecular chain, (c) BT spherical particle, (d) PVDF, (e) LDPE, (f) BT20/PVDF composite, (g) PVDF?LDPE, and (h) BT20/PVDF?LDPE composite.

Fig.3 (a) The geometric section, (b) the geometric model, and (c) the mesh distribution of the layer-structured composite of BT20/PVDF–LDPE.

Fig.4 (a) The initial model of PVDF–LDPE. (b) The simulated structure of PVDF–LDPE under the conditions of 298 K and 0.0001 GPa. (c) The simulated structure of PVDF–LDPE under the conditions of 500 K and 1 GPa.

Fig.5 The simulated structure of the composites of (a) BT20/PVDF–LDPE, (c) PVDF–BT20/LDPE, and (e) BT20/PVDF–BT20/LDPE under the conditions of 298 K and 0.0001 GPa. The simulated structure of the composites of (b) BT20/PVDF–LDPE, (d) PVDF–BT20/LDPE, and (f) BT20/PVDF–BT20/LDPE under the conditions of 500 K and 1 GPa.

Fig.6 (a) The interfacial binding energy and (b)(c)(d) SEM images of the layer-structured composites of PVDF–LDPE, BT20/PVDF–LDPE, and PVDF–BT20/LDPE (from the top panel to the bottom panel).

Fig.7 Variations of (a) ε? and (b) tanδ with the frequency for the composites.

Fig.8 (a) The Weibull distribution diagram and (b) the E_b vales of the composites.

Fig.9 (a) Variations of P_max and P_r with the electric field for different composites under different electric fields. (b) Variations of P_max?P_r with the electric field for different composites.

Fig.10 (a) Variations of U_d and η with the electric field for different composites. (b) U_d and η values of the composites corresponding to the highest electric field.

Fig.11 Sectional electric field distribution of (a) BT20/PVDF, (b) BT20/LDPE, (c) BT20/PVDF–LDPE, (d) PVDF–BT20/LDPE, (e) BT20/PVDF–BT20/LDPE, and (f) PVDF–LDPE.

Fig.12 Sectional charge energy density distribution of (a) PVDF, (b) BT20/PVDF, (c) BT20/PVDF–LDPE, and (d) PVDF–BT20/LDPE.

Fig.13 Comparison of comprehensive dielectric and energy storage properties of (a) BT20/PVDF and (b) PVDF–BT20/LDPE.

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