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Radial breathing modes of multi-walled carbon nanotubes by an atomic beam-spring model

查看全文 作  者:MIAO [1]ChunYang;LI [1,2]HaiJun;GUO [1]WanLin 高影响力作者 机构地区:[1]State Key Laboratory of Mechanics and Control of Mechanical Structures and the Key Laboratory of Intelligent Nano Materials and Devices of MOE and Institute of Nano Science,Nanjing University of Aeronautics and Astronautics,Nanjing 210016,China;[2]Maintenance Engineering Division,Center of Aviation Safety and Technology,Civil Aviation Administration of China,Beijing 100028,China高影响力机构 出  处:《Science China(Physics,Mechanics & Astronomy)》索引2012年第55卷第6期,共7页高影响力期刊 基  金:supported by the National Natural Science Foundation of China (Grant No.10732040);the Natural Science Foundation of Jiangsu Province (Grant No.BK2010501);the Nanjing University of Aeronautics and Astronautics Research Funding (Grant Nos.4015-909322,NS2010220) 摘  要:Based on molecular force fields,a new finite element model is constructed for multi-walled carbon nanotubes where the interlayer interactions and C--C bonds are simulated by the elements of piece-wise linear spring and rectangular cross section beam,respectively.For high computation efficiency and atomic reification,the radial breathing modes of multi-walled carbon nanotubes are studied systemically using this model.The results show the correspondence between carbon nanotube structures and vibrational modes,which provide unequivocal data for the experimental characterization of carbon nanotubes.An empirical relationship of radial breathing modes frequencies with the nanotube radius are also obtained for two-layer carbon nanotubes. 关 键 词:多壁碳纳米管 呼吸模式 弹簧模型 原子束 径向 双层碳纳米管 有限元模型 矩形截面梁
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