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

被引：9
|
作者：
Miao ChunYang [1 ,2 ,3 ]
Li HaiJun [1 ,2 ,3 ,4 ]
Guo WanLin [1 ,2 ,3 ]
机构：
[1] Nanjing Univ Aeronaut & Astronaut, State Key Lab Mech & Control Mech Struct, Nanjing 210016, Peoples R China
[2] Nanjing Univ Aeronaut & Astronaut, Key Lab Intelligent Nano Mat & Devices MOE, Nanjing 210016, Peoples R China
[3] Nanjing Univ Aeronaut & Astronaut, Inst Nano Sci, Nanjing 210016, Peoples R China
[4] Civil Aviat Adm China, Ctr Aviat Safety & Technol, Maintenance Engn Div, Beijing 100028, Peoples R China
来源：
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY | 2012年 / 55卷 / 06期
基金：
中国国家自然科学基金;
关键词：
radial breathing modes; multi-walled carbon nanotube; atomic beam-spring model; RAMAN-SPECTROSCOPY; MOLECULAR-FIELDS;
D O I：
10.1007/s11433-012-4730-9
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
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.
引用
收藏
页码：940 / 946
页数：7
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