论文部分内容阅读
采用分子动力学方法,分别分析了单壁BN、SiC及Ge纳米管的导热系数与熔化特性;进而根据模拟结果,讨论了直径、温度等因素对几种纳米管导热性的影响,以及几种纳米管之间导热性及熔化特性的差异。研究结果表明,各单壁纳米管的导热系数均随温度的升高以及直径的增大而降低;温度相同时,BN管的导热系数最大,而SiC和Ge管的导热系数相当;BN及SiC纳米管的熔点、比热容以及熔化热均远高于Ge管,但系统能量却要比Ge管低得多。
The thermal conductivity and melting characteristics of single-walled BN, SiC and Ge nanotubes were analyzed by molecular dynamics method. Then the influence of the diameter and temperature on the thermal conductivity of several nanotubes was discussed according to the simulation results. Differences in thermal conductivity and melting characteristics between nanotubes. The results show that the thermal conductivity of each single-walled nanotubes decreases with the increase of temperature and the diameter. At the same temperature, the thermal conductivity of BN tube is the largest, while the thermal conductivity of SiC and Ge tubes is the same. BN and SiC The melting point, specific heat capacity and heat of fusion of nanotubes are much higher than Ge tubes, but the system energy is much lower than that of Ge tubes.