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采用Brenner势函数描述碳纳米管中碳原子间的相互作用,通过分子动力学方法对几种单壁碳纳米管进行轴向拉伸试验研究,得出其Young模量为4.2 TPa,强度极限为1.40～1.77 TPa.在对碳管拉伸过程中,发现只要应变不达到断裂极限,卸载时的应力-应变沿加载曲线返回,表明在碳纳米管的拉伸过程中没有塑性应变;对碳纳米管的拉伸断裂过程进行了仿真,从能量和结构变化方面对碳纳米管断裂机理进行了分析.
The Brenner potential function is used to describe the interaction between carbon atoms in carbon nanotubes. The axial tensile test of several single-walled carbon nanotubes is carried out by molecular dynamics method. The Young modulus is 4.2 TPa and the strength limit is 1.40 ~ 1.77 TPa. During the process of drawing carbon nanotubes, we found that as long as the strain does not reach the fracture limit, the stress-strain curve at the time of unloading returns along the loading curve, indicating no plastic strain during the stretching of the carbon nanotubes. The tensile fracture process of pipe was simulated, and the fracture mechanism of carbon nanotubes was analyzed from the aspects of energy and structure.