The effect of the radial heat conduction on the effective thermal conductivity of carbon nanotube(CNT) bundles is studied by the nonequilibrium molecular dynamics(NEMD) method. The hexagonal CNT bundle consists of sev...The effect of the radial heat conduction on the effective thermal conductivity of carbon nanotube(CNT) bundles is studied by the nonequilibrium molecular dynamics(NEMD) method. The hexagonal CNT bundle consists of seven(10, 10) single-walled carbon nanotubes(SWCNTs). The radial heat conduction is induced by creating the vacancy defects in some segments of the constituent CNTs. Combined with the temperature differences and the inter-tube thermal resistances at the different segments,the radial heat flow in the CNT bundle is calculated. The maximum percentage of the radial heat flow is less than 7% with the presence of four defective CNTs, while the resultant decrement of the effective thermal conductivity of the bundle is about 18%.The present results indicate that the radial heat flow can significantly diminish the axial heat conduction in the CNT bundles,which probably explains the smaller effective thermal conductivity in the CNT assemblies compared to that of the individual CNTs.展开更多
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-wal...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.展开更多
Multi-walled carbon nanotubes with uniform diameters and automatically assembled into densely aligned bundles prepared by a bulky yield and high purity were applied as hydrogen absorbant at room temperature under mode...Multi-walled carbon nanotubes with uniform diameters and automatically assembled into densely aligned bundles prepared by a bulky yield and high purity were applied as hydrogen absorbant at room temperature under moderate pressure to absorb H_2. Both the surface of nanotubes and the interstitial space among tubes are possible sites for hydrogen molecules to adhere. The hydrogen uptake capacity is 0.82% (mass)and the interstitial position is considered as a promising site for hydrogen absorption.展开更多
基金supported by National Natural Science Foundation of China(Grant Nos.51476033,51376094)the Key Laboratory of Hydraulic Machinery Transients(Wuhan University)of Ministry of Educationthe Tianjin Key Laboratory of Advanced Functional Porous Materials
文摘The effect of the radial heat conduction on the effective thermal conductivity of carbon nanotube(CNT) bundles is studied by the nonequilibrium molecular dynamics(NEMD) method. The hexagonal CNT bundle consists of seven(10, 10) single-walled carbon nanotubes(SWCNTs). The radial heat conduction is induced by creating the vacancy defects in some segments of the constituent CNTs. Combined with the temperature differences and the inter-tube thermal resistances at the different segments,the radial heat flow in the CNT bundle is calculated. The maximum percentage of the radial heat flow is less than 7% with the presence of four defective CNTs, while the resultant decrement of the effective thermal conductivity of the bundle is about 18%.The present results indicate that the radial heat flow can significantly diminish the axial heat conduction in the CNT bundles,which probably explains the smaller effective thermal conductivity in the CNT assemblies compared to that of the individual CNTs.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 50730006 and 50976053)
文摘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.
基金supported by the Special Funds for Major States Basic Research Project (No. TG20000264-06) of MOST, China
文摘Multi-walled carbon nanotubes with uniform diameters and automatically assembled into densely aligned bundles prepared by a bulky yield and high purity were applied as hydrogen absorbant at room temperature under moderate pressure to absorb H_2. Both the surface of nanotubes and the interstitial space among tubes are possible sites for hydrogen molecules to adhere. The hydrogen uptake capacity is 0.82% (mass)and the interstitial position is considered as a promising site for hydrogen absorption.
