Abstract
In response to the growing demand for renewable energy storage technologies, current research into nanoparticle (NP) composite materials seeks to push the boundaries of energy density for solid-state capacitive energy storage. To understand the limits of these composites, it is important to understand the electric field patterns and breakdown events that prevent such devices from storing more energy per unit volume. To this end, a novel breakdown path detection algorithm is designed to mimic breakdown events by using the internal electric fields to determine the breakdown voltage of simulated composite materials. This breakdown path detection model is used to calculate the energy density for over 1200 different geometries for BaTiO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> NPs embedded in a P(VDFHFP) host matrix. These simulations reveal a large normalized variation in the volumetric energy density of up to 54%. Furthermore, these P(VDF-HFP)/BaTiO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> composites are found to have only a modest improvement in energy density of 1.08× compared to the pure P(VDF-HFP) host; however, alternative hypothetical NP compositions composed of SrTiO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> , SiO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> , and HfO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> NP inclusions showed increases in energy density of up to 5.64× for SrTiO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> (volume fraction of 0.48), 8.87× for SiO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> (volume fraction of 0.34), and 2.89× for HfO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> (volume fraction of 0.38).
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