Atomistic origin of radial corrugation in a few-walled carbon nanotubes: A molecular dynamics study |
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| Affiliation: | 1. Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, Japan;2. Division of Socio-Environmental Engineering, Faculty of Engineering, Hokkaido University, Kita 13, Nishi 8, Kita-ku, Sapporo, Hokkaido 060-8628, Japan;3. Department of Environmental Sciences, University of Yamanashi, 4-4-37, Takeda, Kofu, Yamanashi 400-8510, Japan;1. Facultad de Ingeniería, Universidad Autónoma de Puebla, Apartado Postal J-39, Z.C. 72570 Puebla, Mexico;2. Facultad de Ingeniería Química, Universidad Autónoma de Puebla, Z.C. 72570 Puebla, Mexico;3. Instituto de Ciencias Físicas-UNAM, Av. Universidad S/N, Col. Chamilpa, Z.C. 062210 Cuernavaca, Morelos, Mexico;4. Instituto Tecnológico de Puebla. Av. Tecnológico, #420 Colonia Maravillas, Z.C. 72220 Puebla, Mexico;1. Amirkhanov Institute of Physics Russian Academy of Sciences, Dagestan Science Centre, Makhachkala, Russia;2. Prokhorov General Physics Institute Russian Academy of Sciences, Moscow, Russia;3. Dagestan State University, Makhachkala, Russia;4. Institute of Geothermal Problems Russian Academy of Sciences, Dagestan Science Centre, Makhachkala, Russia;5. Instituto de Física, Universidade Federal Fluminense, Av. Gal. Milton Tavares de Souza s/n, 24210-346 Niterói, RJ, Brazil;1. College of Physics and Information Technology, Shaanxi Normal University, Xian 710062, Shaanxi, PR China;2. State Key Laboratory for Mechanical Behavior of Materials, Xian Jiaotong University, Xian 710049, Shaanxi, PR China;3. ICMMO/LEMHE, Université Paris-Sud 11, 91405 Orsay Cedex, France |
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| Abstract: | We perform molecular dynamics simulations of a few-walled (with 3–4 walls) carbon nanotubes using empirical interatomic potential. We demonstrate that the radial corrugation occurs in such thin nanotubes under hydrostatic pressure, which is apparently similar to the corrugation in thicker (e.g., several tens-walled) nanotubes that had been predicted using continuum mechanics approximation. The mechanism underlying the corrugation of a few-walled nanotubes, however, is found to be much distinct from thick nanotubes; i.e., the sp3 bonds between adjacent concentric walls and registry of atom arrangement take important roles in the formation and stabilization of corrugation modes in a few-walled nanotubes. |
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| Keywords: | Carbon nanotube Deformation Radial corrugation Molecular dynamics |
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