ポリマーコンポジット用非線形強誘電フィラーの原子レベル設計に向けて

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  • Towards Atomic Level Design of Non-linear Ferroelectric Fillers in Polymer Composites

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<p>To study the polarization characteristics of polymer/ferroelectric composites when applied to electrical insulation in power equipment, we develop a first-principles based empirical parameter free multi-scale modeling approach. In addition experiments are carried out to obtain the polarization-electric field (P-E) hysteresis loop of a commercial BaTiO3 single crystal. It is shown that the proposed computational model can successfully reproduce the experimental P-E loop when the domain wall motion is taken into account. The results strongly indicate that the domain wall motion is crucial for describing the P-E characteristics of ferroelectric fillers when used under low electric field (< 10 kV/mm) with long time scales (> 1 µs).</p>

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