Mechanical Behavior of Single-Walled Carbon Nanotubes in Water under Tensile Loadings:A Molecular Dynamics Study

作者: Shin-Pon JU , Meng-Hsiung WENG , Jenn-Sen LIN , Jian-Ming LU , Jee-Gong CHANG

DOI: 10.1016/S1872-2067(09)60010-3

关键词: Carbon nanotubeMaterials scienceComposite materialNanotubeNanotechnologyUltimate tensile strengthCarbon nanotube metal matrix compositesHydrogenModulusMechanical properties of carbon nanotubesMolecular dynamics

摘要: Abstract Molecular dynamics simulation was carried out to investigate the behavior of (5,5) and (10,10) armchair carbon nanotubes in water under tensile loading. The molecules inside a nanoscale tube, unlike bulk have confined effect. local density distributions oxygen hydrogen atoms were calculated find confinement Moreover, mechanical studied results show that Young's modulus nano-tubes remains same as vacuum. However, stress nanotube is less than

参考文章(18)
ChenXin Fu, YunFei Chen, JiWei Jiao, Molecular dynamics simulation of the test of single-walled carbon nanotubes under tensile loading Science in China Series E: Technological Sciences. ,vol. 50, pp. 7- 17 ,(2007) , 10.1007/S11431-007-0009-1
Bruce J Hinds, Nitin Chopra, Terry Rantell, Rodney Andrews, Vasilis Gavalas, Leonidas G Bachas, Aligned multiwalled carbon nanotube membranes. Science. ,vol. 303, pp. 62- 65 ,(2004) , 10.1126/SCIENCE.1092048
Min-Feng Yu, Bradley S. Files, Sivaram Arepalli, Rodney S. Ruoff, Tensile loading of ropes of single wall carbon nanotubes and their mechanical properties Physical Review Letters. ,vol. 84, pp. 5552- 5555 ,(2000) , 10.1103/PHYSREVLETT.84.5552
A. Kalra, S. Garde, G. Hummer, Osmotic water transport through carbon nanotube membranes Proceedings of the National Academy of Sciences of the United States of America. ,vol. 100, pp. 10175- 10180 ,(2003) , 10.1073/PNAS.1633354100
William G. Hoover, Canonical dynamics: Equilibrium phase-space distributions Physical Review A. ,vol. 31, pp. 1695- 1697 ,(1985) , 10.1103/PHYSREVA.31.1695
Donald W Brenner, Olga A Shenderova, Judith A Harrison, Steven J Stuart, Boris Ni, Susan B Sinnott, A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons Journal of Physics: Condensed Matter. ,vol. 14, pp. 783- 802 ,(2002) , 10.1088/0953-8984/14/4/312
P. Liu, Y.W. Zhang, H.P. Lee, C. Lu, Atomistic Simulations of Uniaxial Tensile Behaviors of Single-walled Carbon Nanotubes Molecular Simulation. ,vol. 30, pp. 543- 547 ,(2004) , 10.1080/08927020410001704951
M. M. J. Treacy, T. W. Ebbesen, J. M. Gibson, Exceptionally high Young's modulus observed for individual carbon nanotubes Nature. ,vol. 381, pp. 678- 680 ,(1996) , 10.1038/381678A0
Shuichi Nosé, A unified formulation of the constant temperature molecular dynamics methods Journal of Chemical Physics. ,vol. 81, pp. 511- 519 ,(1984) , 10.1063/1.447334
R. Singh, D. Pantarotto, L. Lacerda, G. Pastorin, C. Klumpp, M. Prato, A. Bianco, K. Kostarelos, Tissue biodistribution and blood clearance rates of intravenously administered carbon nanotube radiotracers Proceedings of the National Academy of Sciences of the United States of America. ,vol. 103, pp. 3357- 3362 ,(2006) , 10.1073/PNAS.0509009103