采用Tersoff势的分子动力学方法,分析了单壁氮化硼,碳化硅和锗纳米管的导热系数与轴向拉伸特性;进而根据模拟结果,讨论了直径、温度等因素对三种纳米管导热性的影响,以及三种纳米管之间导热性及拉伸性能的差异.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,氮化硼管的导热系数最大,而碳化硅和锗管的导热系数相当;三种纳米管中,锗管的抗变形与抗载荷能力最小,氮化硼管的抗变形能力最大,而氮化硼、碳化硅管的抗载荷能力相当.
Thermal conductivity and axial tensile behaviour of single-wall BN, SiC and Ge nanotubes were simulated by MD(Molecular dynamics) method, and the thermal conductivity and load-strain curves of the nanotubes were given. According to the obtained results, the differences in conductivity and tensile-properties of the nanotubes were investigated. The results showed that the thermal conductivity of all the nanotubes decreases as the temperature and diameter increaing. At the same temperature, the BN nanotubes has the highest thermal conductivity, whereas the Ge and SiC tubes have the comparable one;The Ge tube has both the lowest anti-deformation and anti-loading capability, the BN tube the highest anti-load one, and the BN, SiC tubes the comparable anti-load one.
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