本文采用非平衡分子动力学模拟方法,研究了不同直径和热流对碳纳米管(CNT)热导率的影响.研究的CNT长度均为16 nm,直径范围是0.825～1.650 nm.计算结果表明直径对该长度下CNT热导率的影响不大.其原因为碳纳米管的长度小于声子平均自由程,声子在此区间内为纯弹道式传输模式.此外,本文对热导率随热流的变化关系也进行了讨论,由结果发现热流的增大导致冷热区温差的增大,且在某临界下,温差随热流线性增大,之后陡增;相应的热导率在临界以下随热流小幅度增大,之后猝然下降.对于临界之后的区域,原因可能是非傅里叶导热引起的突变.
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