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A NETWORK MODEL FOR THE THERMAL CONDUCTIVITY OF PILLARED-GRAPHENE ARCHITECTURES

机译:柱石墨烯架构导热率的网络模型

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Carbon nanotubes and graphene are promising for thermal management applications due to their high thermal conductivities. However, their thermal properties are anisotropic and the radial or out-of-plane thermal conductivity is low. A graphene-CNT 3D structure has previously been proposed to overcome such limitation, and direct molecular dynamics simulations have been used to predict its thermal conductivity. In this work, by recognizing that the thermal resistance comes primarily from CNT-graphene junctions, we have proposed a simple network model of thermal transport in pillared graphene structures. Using non-equilibrium molecular dynamics, the resistance across an individual CNT-graphene junction is found to be around 6 × 10~(-11)m~2 K/W, which is significantly lower than the typical values reported in literature for planar interfaces between dissimilar materials. The size-dependence of the CNT-graphene junction resistance is also explored in our work. The CNT pillar length between two graphene sheets is found to be an important parameter affecting the junction resistance, which decreases as the pillar length decreases. We explain this behavior by calculating the local phonon density of states near the junction. The junction resistance is then used in the network model to obtain the thermal conductivity, and the results agree well with the direct MD simulation data, demonstrating the effectiveness of our model.
机译:由于其高导热率,碳纳米管和石墨烯是热管理应用的希望。然而,它们的热性质是各向异性的,并且径向或面外导热率低。先前已经提出了一种石墨烯-CNT 3D结构以克服这种限制,并且已经使用直接分子动力学模拟来预测其导热率。在这项工作中,通过认识到热阻主要来自CNT-石墨烯交界处,我们提出了一种在柱状石墨烯结构中的热传输的简单网络模型。使用非平衡的分子动力学,发现各个CNT-石墨烯交界处的电阻约为6×10〜(-11)m〜2 k / w,这显着低于平面界面的文献中报告的典型值不同的材料之间。在我们的工作中也探讨了CNT-石墨烯结抗性的尺寸依赖性。发现两个石墨烯片之间的CNT柱长是影响结抗性的重要参数,随着柱长减小而降低。我们通过计算交界处附近的状态的局部声子密度来解释这种行为。然后在网络模型中使用结电阻以获得导热率,结果与直接MD模拟数据相一致,展示了我们模型的有效性。

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