Defective Carbon Nanotube for Use as a Thermal Rectifier
Defective Carbon Nanotube for Use as a Thermal Rectifier
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DOI：
10.1143/jjap.49.02bd12
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发表时间：
2010-02
影响因子：
1.5
通讯作者：
Koji Takahashi;M. Inoue;Yôhei Itô
中科院分区：
文献类型：
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作者：
Koji Takahashi;M. Inoue;Yôhei Itô
我们研究了带有空位缺陷的单壁碳纳米管的热性能，以确定其在固态热整流中的适用性。对具有随机缺陷的纳米管进行非平衡分子动力学模拟，发现其在室温下热传导不对称。在认为C9H16Pt局部沉积会导致纳米管晶格缺陷的前提下，该整流方向与以往在纳米管上不对称沉积C9H16Pt的实验结果一致。考虑到局部热导率的温度依赖性和声子滤波效应，讨论了当前热整流效应的机制。当热量从缺陷部分流向原始部分时，计算得到的状态声子密度重叠较大，中频声子主要负责整流。
We investigated the thermal properties of a single-walled carbon nanotube with vacancy defects to determine its applicability to solid-state thermal rectification. Nonequilibrium molecular dynamics simulation of a nanotube with randomly located defects only along half the length revealed asymmetric heat conduction at room temperature. The direction of rectification is in good agreement with that obtained in a past experiment in which C9H16Pt was asymmetrically deposited on a nanotube, as far as the local deposition is supposed to cause defects in the nanotube lattice. The mechanism underlying the current thermal rectification effect is discussed considering the temperature dependence of the local thermal conductivity and the phonon filtering effect. The calculated phonon density of states shows larger overlapping when heat flows from the defective part to the pristine part and intermediate-frequency phonons are mainly responsible for rectification.