CAJ | 학술논문

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．
기우Tersoff세，채용분자동역학방법연구료탄납미관속불동온도하적랍신역학특정，대불동온도하탄납미관속적역학특성진행료비교분석．결과표명，탄납미관속적랍신강도、단렬응변여양씨모량도수착온도적증가이감소；랍신강도화단렬응변수온도변화적추세교위급극，이양씨모량수온도변화적추세교위평완；고온하적탄납미관속적탄원자유우열진동도치탄관지간탄원자결건，종이도치탄납미관속적각개역학특정급극하강；동시탄관반경월소기랍신강도월고，이탄납미관속적랍신강도약위단근탄납미관적일반．
Based on Tersoff potential, a molecular dynamics simulation is performed for predicting the tensile strength, the fracture strain and the effective Young＇ s modulus as a function of temperature for carbon nanotube bundles （CNTBs）. The results show that with the temperature increasing,both tensile strength and fracture strain decrease sig~ifieanfly but Young＇ s modulus changes alightly. At high temperatures, some C atoms of one tube are attracted by C atoms of another tube to form new C-C bonds,thus accelerating the fracture of CNTBs. The results also indicate that the tensile strength of CNTBs increases with the decrease of the radius of CNTs, and that is approximately half of the single CNT.