Theoretical calculations of thermophysical properties of single-wall carbon nanotube bundles
Theoretical calculations of thermophysical properties of single-wall carbon nanotube bundles
复制标题
单壁碳纳米管束热物理性质的理论计算
DOI：
10.1088/1674-1056/20/5/056501
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发表时间：
2011-05
影响因子：
1.7
通讯作者：
Miao Ting-Ting
中科院分区：
文献类型：
--
作者：
Zhang Xing;Ma Wei-Gang;Song Meng-Xuan;Miao Ting-Ting
碳纳米管束具有优异的热学和力学性能，是一种很有前途的热界面材料。本研究利用力常数模型计算了单壁碳纳米管束的声子色散关系和态密度。计算结果表明，管间相互作用导致低频模态的频率显著提高。为了验证应用的计算方法，首先根据得到的声子色散关系计算了单壁碳纳米管的比热，结果与实验数据吻合较好。此外，计算了管束的比热，与单管的比热相比，在低温下的比热略有降低。利用弹道输运模型计算了低温下束的导热系数。计算结果表明，在极低温度下，管间相互作用即范德华相互作用阻碍了传热，不容忽视。对于（5,5）束，忽略管间效应导致的导热系数相对差值在17 K左右达到最大值26%，表明管间相互作用对低温导热系数的影响显著。
Carbon nanotube bundles are promising thermal interfacial materials due to their excellent thermal and mechanical characteristics. In this study, the phonon dispersion relations and density of states of the single-wall carbon nanotube bundles are calculated by using the force constant model. The calculation results show that the inter-tube interaction leads to a significant frequency raise of the low frequency modes. To verify the applied calculation method, the specific heat of a single single-wall carbon nanotube is calculated first based on the obtained phonon dispersion relations and the results coincide well with the experimental data. Moreover, the specific heat of the bundles is calculated and exhibits a slight reduction at low temperatures in comparison with that of the single tube. The thermal conductivity of the bundles at low temperatures is calculated by using the ballistic transport model. The calculation results indicate that the inter-tube interaction, i.e. van der Waals interaction, hinders heat transfer and cannot be neglected at extremely low temperatures. For (5, 5) bundles, the relative difference of the thermal conductivity caused by ignoring inter-tube effect reaches the maximum value of 26% around 17 K, which indicates the significant inter-tube interaction effect on the thermal conductivity at low temperatures.
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DOI：
10.1016/s1369-7021(04)00294-9
发表时间：
1974
期刊：
--
影响因子：
--
作者：
J. Callaway
通讯作者：
J. Callaway
DOI：
10.1088/0953-8984/15/23/101
发表时间：
2003-06
期刊：
Journal of Physics: Condensed Matter
影响因子：
--
作者：
Y. Xiao;X. H. Yan;J. Cao;J. Ding
通讯作者：
Y. Xiao;X. H. Yan;J. Cao;J. Ding
影响因子：
8.6
作者：
Kim, P;Shi, L;McEuen, PL
通讯作者：
McEuen, PL
影响因子：
10.8
作者：
Pop, E;Mann, D;Dai, HJ
通讯作者：
Dai, HJ
影响因子：
8.6
作者：
Takahiro Yamamoto;Satoshi Watanabe;Kazuyuki Watanabe
通讯作者：
Takahiro Yamamoto;Satoshi Watanabe;Kazuyuki Watanabe