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基于Tersoff势,采用分子动力学方法研究了碳纳米管束不同温度下的拉伸力学特征,对不同温度下碳纳米管束的力学特性进行了比较分析.结果表明,碳纳米管束的拉伸强度、断裂应变与杨氏模量都随着温度的增加而减小;拉伸强度和断裂应变随温度变化的趋势较为急剧,而杨氏模量随温度变化的趋势较为平缓;高温下的碳纳米管束的碳原子由于热震动导致碳管之间碳原子结键,从而导致碳纳米管束的各个力学特征急剧下降;同时碳管半径越小其拉伸强度越高,而碳纳米管束的拉伸强度约为单根碳纳米管的一半.
Based on the Tersoff potential, the molecular dynamics method was used to study the tensile mechanics characteristics of carbon nanotube bundles at different temperatures, and the mechanical properties of carbon nanotube bundles at different temperatures were compared. The results show that the tensile strength, Both strain and Young’s modulus decrease with increasing temperature. Tensile strength and strain at break change more rapidly with temperature, while Young’s modulus tends to be gentle with temperature. At high temperature, Carbon atoms due to thermal shock leading to carbon atoms between carbon bonds, leading to a sharp decline in the mechanical properties of carbon nanotube bundles; the same time the smaller the radius of carbon nanotubes, the higher the tensile strength, while the tensile strength of carbon nanotube bundles is about Half of single carbon nanotube.