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首页> 外文期刊>Journal of Physics, D. Applied Physics: A Europhysics Journal >Structure-property relationship in dielectric mixtures: application of the spectral density theory
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Structure-property relationship in dielectric mixtures: application of the spectral density theory

机译:电介质混合物中的结构-性质关系:光谱密度理论的应用

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This paper presents numerical simulations performed on dielectric properties of two-dimensional binary composites. The influence of structural differences and intrinsic electrical properties of constituents on the composite's overall electrical properties is investigated. The structural differences are resolved by fitting the dielectric data with an empirical formula and by the spectral density representation approach. At low concentrations of inclusions (concentrations lower than the percolation threshold), the spectral density functions are delta-sequences, which corresponds to the predictions of the general Maxwell-Garnett (MG) mixture formula. At high concentrations of inclusions (close to the percolation threshold) systems exhibit non-Debye-type dielectric dispersions, and the spectral density functions differ from each other and that predicted by the MG expression. The analysis of the dielectric dispersions with an empirical formula also brings out the structural differences between the considered geometries, however, the information is not qualitative. The empirical formula can only be used to compare structures. The spectral representation method on the other hand is a concrete way of characterizing the structures of the dielectric mixtures. Therefore, as in other spectroscopic techniques, a look-up table might be useful to classify/characterize structures of composite materials. This can be achieved by generating dielectric data for known structures by using ab initio calculations, as presented and emphasized in this study. The numerical technique presented here is not based on any a priori assumption methods.
机译:本文介绍了对二维二元复合材料的介电性能进行的数值模拟。研究了成分的结构差异和固有电学性质对复合材料整体电学性质的影响。通过使用经验公式拟合电介质数据并通过光谱密度表示方法来解决结构差异。在低夹杂物浓度(浓度低于渗滤阈值)下,光谱密度函数为δ序列,与一般Maxwell-Garnett(MG)混合公式的预测相对应。在高夹杂物浓度下(接近渗滤阈值),系统表现出非德拜型介电色散,并且光谱密度函数彼此不同,并且由MG表达式预测。用经验公式对介电色散进行分析也得出了所考虑的几何形状之间的结构差异,但是,该信息不是定性的。经验公式只能用于比较结构。另一方面,光谱表示法是表征介电混合物结构的具体方法。因此,与其他光谱技术一样,查找表可能对分类/表征复合材料的结构很有用。如本研究中所介绍和强调的,这可以通过使用从头算起的计算来生成已知结构的介电数据来实现。这里介绍的数字技术不是基于任何先验假设方法。

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