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A 3D percolation model for multicomponent nanocarbon composites: the critical role of nematic transition

机译:多组分纳米碳复合材料的3D渗透模型:向列过渡的关键作用

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A three-dimensional (3D) continuum percolation model has been developed on the basis of Monte Carlo simulation to investigate the percolation behavior of an electrically insulating matrix reinforced with multiple conductive fillers of different dimensionalities. Impenetrable fillers of large aspect ratio are found to preferentially align with each other to maximize the packing entropy rather than forming randomly oriented clusters. This entropy-driven transition from isotropic to nematic phase is shown to critically affect the percolation threshold. It suggests that an isotropic phase with a smaller nematic order parameter leads to a reduction in percolation threshold. In addition, a combination of two fillers with different dimensionalities can achieve a working concentration below the percolation threshold of single component system, which is further validated by the experiments of electrical conductivity in multicomponent multidimensional nanocarbon composites.
机译:在蒙特卡罗模拟的基础上开发了三维(3D)连续渗透模型,以研究用不同尺寸的多种导电填料加固的电绝缘基质的渗透行为。 发现具有大宽高比的难以采用的填充物优先彼此对准,以最大化包装熵而不是形成随机取向的簇。 该熵驱动从各向同性到向列型相位的过渡显示尺寸影响渗透阈值。 它表明,具有较小列法参数的各向同性相位导致渗透阈值的降低。 另外,两种具有不同尺寸的填料的组合可以在单个组分系统的渗透阈值下实现工作浓度,其通过在多组分多维纳米碳复合材料中的电导率的实验进一步验证。

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