Temperature-dependent thermal conductivity of bent carbon nanotubes by molecular dynamics simulation

Zhengxing Huang; Zhenan Tang; Jun Yu; Suyuan Bai

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Temperature-dependent thermal conductivity of bent carbon nanotubes by molecular dynamics simulation

机译：弯曲动力学碳纳米管的温度依赖性导热系数的分子动力学模拟

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Molecular dynamics simulations were performed to evaluate temperature-dependent thermal conductivity of bent carbon nanotubes. Thermal conductivities of bent nanotubes are predicted to be smaller than those of straight nanotubes. This is due to the suppression of high frequency phonons from the density of states calculations. It was found that for the defect-free bent nanotubes, the ratio of thermal conductivity of bent nanotubes to that of the straight ones are temperature and diameter independent, while significantly relies on the bent characteristic size. The more is the nanotube bent, the smaller is thermal conductivity obtained. For the larger nanotubes, the buckled defects were observed after bending and the ratio decrease rapidly. The ratios of thermal conductivity of the buckled nanotubes to that of the straight ones increase with the increasing temperatures until a maximum is obtained.

机译：进行分子动力学模拟以评估弯曲的碳纳米管的温度依赖性导热系数。弯曲的纳米管的热导率预计比直的纳米管的热导率小。这是由于状态密度计算抑制了高频声子。发现对于无缺陷的弯曲纳米管，弯曲纳米管与直的纳米管的导热率之比与温度和直径无关，而显着地取决于弯曲的特征尺寸。纳米管弯曲得越多，获得的热导率越小。对于较大的纳米管，弯曲后观察到弯曲缺陷，并且该比率迅速降低。弯曲的纳米管与直的纳米管的导热率之比随着温度的升高而增加，直到达到最大值。

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来源
《Journal of Applied Physics》 |2011年第10期|p.828-833|共6页
作者
Zhengxing Huang; Zhenan Tang; Jun Yu; Suyuan Bai;
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作者单位

School of Electronic Science and Technology, Dalian University of Technology, Dalian 116024, China;

School of Electronic Science and Technology, Dalian University of Technology, Dalian 116024, China;

School of Electronic Science and Technology, Dalian University of Technology, Dalian 116024, China;

School of Electronic Science and Technology, Dalian University of Technology, Dalian 116024, China;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
原文格式 PDF
正文语种 eng
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Temperature-dependent thermal conductivity of bent carbon nanotubes by molecular dynamics simulation

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