Multi-Scale Modeling of Dielectric Polarization in Polymer/Ferroelectric Composites
Multi-Scale Modeling of Dielectric Polarization in Polymer/Ferroelectric Composites
复制标题
聚合物/铁电复合材料介电极化的多尺度模拟
DOI：
10.1109/tdei.2022.3222746
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发表时间：
2023-04
影响因子：
3.1
通讯作者：
M. Sato;A. Kumada;K. Hidaka;T. Yasuoka;Y. Hoshina;M. Shiiki
中科院分区：
文献类型：
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作者：
M. Sato;A. Kumada;K. Hidaka;T. Yasuoka;Y. Hoshina;M. Shiiki
铁电材料由于其高的非线性介电常数而成为聚合物复合材料的有吸引力的填料。在这项研究中，环氧树脂/钛酸钡复合材料的介电响应是通过Sawyer-Tower测量获得的。此外，我们提出了一个多尺度的计算方法，允许模拟聚合物/铁电复合材料的极化行为的时间尺度超过100毫秒，这是几个数量级比以前的研究。该模型不需要特别的参数，因此可以从第一性原理模拟偏振特性。无论是在实验和模拟中，非线性的滞后行为观察到环氧树脂/钛酸钡复合材料，即使当跨钛酸钡的电场是一个数量级以上低于矫顽场。计算结果表明，这源于在钛酸钡畴壁运动。从计算结果得出的一些实际意义进行了讨论。
Ferroelectric materials are attractive fillers for polymer composites due to their high and non-linear dielectric constants. In this study, the dielectric response of the epoxy/BaTiO3 composite is obtained by a Sawyer–Tower measurement. In addition, we propose a multiscale computational approach that allows simulation of the polarization behavior of polymer/ferroelectric composites on the timescale above 100 ms, which is several orders of magnitude longer than previous studies. The model is free of ad hoc parameters and therefore can simulate the polarization characteristics from first-principles. Both in experiments and simulations, non-linear hysteresis behavior was observed in the epoxy/BaTiO3 composite even when the electric field across the BaTiO3 is more than an order of magnitude lower than the coercive field. The computational results suggested that this originates from the domain wall motion in BaTiO3. Some practical implications drawn from the computational results are discussed.