填充氩后单壁碳纳米管的导热系数

Thermal conductivity of single-wall carbon nanotubes filled with argon

采用平衡态分子动力学（EMD）模拟方法，计算了填充氩后的（10，10）型和（15，15）型的单壁碳纳米管分别在不同温度下的导热系数．研究了它们随温度的变化情况，并将其与相应的空的碳纳米管的导热系数进行比较，分析在相同温度下，充氩对碳纳米管导热系数的影响．模拟结果发现：在500～1200K的温度范围内，（10，10）型碳纳米管和（15，15）型碳纳米管在填充了氩后其导热系数值均随着温度的升高呈下降趋势，这与空的碳纳米管的导热系数随温度的变化关系相似；在相同温度下，这2种类型的碳纳米管在填充了氩后的导热系数值均比相应的空的碳纳米管的导热系数值明显高很多．

Thermal conductivities of single-wall carbon nanotubes （SWNTs） filled with argon （Ar） with types （10, 10） and （15, 15） respectively, are calculated over a temperature range of 500 to 1 200 K using equilibrium molecular dynamics （EMD） simulation method. As compared with the thermal conductivity of the corresponding bare unfilled SWNTs at same temperature, the effects of filled argon on the thermal conductivity as well as the temperature dependence of the thermal conductivity are investigated. It is found that the thermal conductivities of filled （ 10, 10） and （ 15, 15） SWNTs decrease as the temperature increases, showing qualitatively similar behavior to that of a corresponding bare unfilled nanotube. It is also found that the thermal conductivity of SWNTs filled with argon, whether （10,10） or （ 15,15）, is enormously higher than that of the corresponding empty carbon nanotube at all temperatures.