缺陷碳纳米管及缺陷碳纳米豆荚模拟

来源 :中国计算力学大会2018暨国际华人计算力学大会2018 | 被引量 : 0次 | 上传用户:jlcclb
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  采用分子动力学方法,结合Adaptive Intermolecular Reactive Empirical Bond Order(AIREBO)势函数和Lennard-Jones(L-J)势函数,模拟了各种缺陷类型的碳纳米管力学性能及由缺陷碳纳米管与C60 分子组合而成的缺陷碳纳米豆荚中C60 分子的振荡。分别讨论了各类缺陷对碳纳米管力学性能的影响以及空位缺陷,五-七环缺陷和在缺陷与轴向预应力共同作用下对碳纳米豆荚内C60 分子振荡的影响。
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