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Polarizability tensors of Carbon Nanotubes and Graphene Sheets with realistic shapes

机译：具有逼真形状的碳纳米管和石墨烯片的极化性张量

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Carbon Nanotube (CNT) and Graphene Sheets (GS) dispersed in composites exhibit a variety of shapes that are controlled by many factors such as how the CNT/GS are fabricated, how they are dispersed, and the material in which the CNT/GS are embedded. The goal of this work is to study how the shape of the CNT and GS affects their electromagnetic properties. A large number of worm-like CNT and crumpled GS with realistic shapes were generated using a coarse-grained molecular dynamics model. The static electric and magnetic polarizability tensors of these worm-like CNT and crumpled GS were calculated. The electric polarizability tensor is defined as the polarizability tensor calculated when the ratio between the dielectric permittivity of the CNT/GS and the dielectric permittivity of the embedding environment is equal to infinity. The magnetic polarizability tensor is the polarizability tensor calculated when the ratio between the dielectric permittivity of the CNT/GS and the dielectric permittivity of the embedding environment is equal to zero. The electric polarizability tensors were calculated using ZENO, which is a Monte Carlo numerical path integration package, and the magnetic polarizability tensors were calculated using the commercial finite element package COMSOL.
机译：分散在复合材料中的碳纳米管（CNT）和石墨烯片（GS）表现出由许多因素控制的各种形状，例如如何制造CNT / GS，如何分散，以及CNT / GS所在的材料嵌入式。这项工作的目标是研究CNT和GS的形状如何影响其电磁特性。使用粗粒分子动力学模型产生大量具有现实形状的蠕虫样CNT和皱巴巴的GS。计算这些蠕虫样CNT的静电和磁极化张量和弄皱GS。电极化性张量被定义为当CNT / GS的介电常数与嵌入环境的介电常数之间的比率等于无穷大时计算的极化性张量。磁极化性张量是当CNT / GS的介电常数与嵌入环境的介电常数与嵌入环境的介电常数之间的比率等于零时计算的极化性张量。使用ZeNo计算电极化性张量，即蒙特卡罗数值路径整合封装，并且使用商业有限元件封装COMSOL计算磁极化张量。

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