本史计算了多壁碳纳米管的声子色散关系,分析了多壁碳纳米管的声子振动模式和热物理性质。结果表明:多壁碳纳米管的层间相互作用使得声子频率升高,因而使得比热容和热导率降低。在极低温区层间相互作用对热物性参数的影响明显。对于(5,5)@(10,10)管,不考虑层间相互作用时热导率的计算值在10K处可相差60%。随着层数的增加,多壁管热导率值降低,并且趋向定值。
In this paper, phonon dispersion relations (PDR) were calculated. Phonon vibration modes and its thermophysical characters were then analyzed based on the obtained PDR. Results show that the inter-layer interaction in multi-wall carbon nanotubes raises phonon frequencies, which reduces the specific heat and thermal conductivity. This effect on the thermal properties cannot be neglected in extremely low temperature region. For (5,5)@(10,10) tubes, the diffrernce of the thermal conductivity caused by ignoring inter-layer effect can reach 60% at 10 K. The results also show that the thermal conductivity of multi-wall carbon nanotubes decreases as the number of layers increases.