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Phase field modeling and computer simulation is employed to study dielectric composites with core-shell filler particles for high-energy-density applications. The model solves electrostatic equations in terms of polarization vector field in reciprocal space using fast Fourier transform technique and parallel computing algorithm. Composites composed of linear constituent phases (matrix, core, and shell materials) of different dielectric constants are considered. Inter-phase boundary conditions are automatically taken into account without explicitly tracking inter-phase interfaces in the composites. The core-shell structures of filler particles are systematically investigated in terms of shell thickness and dielectric constant with respect to core size and matrix dielectric constant, respectively. The effects of filler particle size, shape, and orientation are considered. It is found that core-shell structures of filler particles provide effective means to mitigate local electric field concentration in dielectric composites, improving dielectric breakdown strength and energy density of the composites. Optimal design of core-shell filler particles requires low shell dielectric constant and thick shell coating as compared to core material and core size, respectively. [ABSTRACT FROM AUTHOR]

Phase field modeling and computer simulation is employed to study the relations between filler microstructures and effective properties of dielectric composites. The model solves electrostatic equations in terms of polarization vector field in reciprocal space using a fast Fourier transform technique and parallel computing algorithm. Composites composed of linear constituent phases of different dielectric constants are considered. Interphase boundary conditions are automatically taken into account without explicitly tracking interphase interfaces in the composites. Various factors associated with filler microstructures are systematically investigated, including dielectric constant mismatch between fillers and matrix, particle size, shape, orientation, volume fraction, and spatial arrangement as well as directional alignment. Heterogeneous distributions of polarization, charge density, and local electric field are calculated for each composite microstructure, based on which effective dielectric constant and dielectric anisotropy of the composites are determined. It is found that electrostatic interactions among high-dielectric-constant fillers embedded in low-dielectric-constant matrix play critical roles in determining the composite properties, which sensitively depend on filler arrangement and, especially, directional alignment into fibrous microstructures (chains). Such microstructurally engineered composites, whose fillers are not randomly dispersed, exhibit strong dielectric anisotropy despite all constituent components being isotropic. [ABSTRACT FROM AUTHOR]