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Molecular Dynamics Simulation of Double-Layered Graphene-Carbon Nanotube Junctions for Thermal Rectification
Materials Letters ( IF 2.7 ) Pub Date : 2019-01-01 , DOI: 10.1016/j.matlet.2018.09.121
Xueming Yang , Jiangxin Xu , Sihan Wu , Dapeng Yu , Bingyang Cao

Abstract By using molecular dynamics simulations, we have studied the thermal rectification in double-layered Graphene-carbon nanotube (DGN-DWCNT) junctions. It is found that DGN-DWCNT junctions exhibit significant thermal rectification under both large and small thermal bias. Even under a small thermal bias |Δ| = 0.1, a rectification ratio as high as 300.6% can be achieved. The influences of the geometric parameters on the thermal rectification of the DGN-DWCNT junctions are discussed, and the underlying mechanism of the significant thermal rectification is explored. These results open a door in the applicability of DGN-DWCNT junctions and their based pillared graphene system in nanoscale engineering of thermal transport devices.

中文翻译:

用于热整流的双层石墨烯-碳纳米管结的分子动力学模拟

摘要 通过分子动力学模拟,我们研究了双层石墨烯-碳纳米管 (DGN-DWCNT) 结中的热整流。发现 DGN-DWCNT 结在大和小热偏置下都表现出显着的热整流。即使在很小的热偏置下|Δ| = 0.1,可实现高达 300.6% 的整流率。讨论了几何参数对 DGN-DWCNT 结热整流的影响,并探讨了显着热整流的潜在机制。这些结果为 DGN-DWCNT 结及其基柱状石墨烯系统在热传输设备的纳米工程中的适用性打开了一扇门。
更新日期:2019-01-01
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