关键词: 分子动力学;导热系数;纳米管;拉伸特性

Abstract: 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.

Key words: 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.