实验提出了一种针对单壁碳纳米管的原子尺度有限元模型.利用该模型对(5,5)型扶手椅型单壁碳纳米管的扭转和弯曲变形过程进行了模拟,发现其屈曲的临界扭转和纯弯曲角度分别约为40°和20°,与扭转屈曲相比,该碳管更容易发生弯曲屈曲.当弯扭复合变形时发生屈曲后,卸载时壁面褶皱的回复比较缓慢.在某些情况下,碳管的局部势能的变化与经典连续介质力学理论不一致,对此本文结合原子势理论给出了模拟结果的原子尺度的解释.
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