论文标题
分子森林中的热导率降低
Reduced thermal conductivity in molecular forests
论文作者
论文摘要
准二维材料（q1dms）中的热传播通常似乎是自相矛盾的。虽然孤立的Q1DM（例如纳米线，碳纳米管或聚合物）可以表现出高导热率\ k {appa}，但同一材料的森林显示\ k {appa}的减少。在这里，这些组件的复杂结构阻碍了这种有趣现象的清晰分子图片的出现。我们将多尺度（粗粒）模拟与来自聚合物物理和热传输所知的概念相结合，以揭示分子森林中\ k {appa}降低的通用（微观）图片。我们表明，键取向，Q1DM的持久性长度和弯曲振动之间的微妙平衡控制了\ k {appa}的敲低。
Heat propagation in quasi-one dimensional materials (Q1DMs) often appears paradoxical. While an isolated Q1DM, such as a nanowire, carbon nanotube, or polymer, can exhibit a high thermal conductivity \k{appa}, forests of the same materials show a reduction in \k{appa}. Here, the complex structures of these assemblies have hindered the emergence of a clear molecular picture of this intriguing phenomenon. We combine multiscale (coarse-grained) simulation with the concepts known from polymer physics and thermal transport to unveil a generic (microscopic) picture of \k{appa} reduction in molecular forests. We show that a delicate balance between the bond orientations, the persistence length of the Q1DM and the flexural vibrations govern the knock-down of \k{appa}.
