期刊
PHYSICA B-CONDENSED MATTER
卷 403, 期 19-20, 页码 3798-3802出版社
ELSEVIER
DOI: 10.1016/j.physb.2008.07.010
关键词
Molecular dynamics simulation; Carbon nanotubes; sp(3) interwall bridging; Vacancy-related defect
资金
- Science Plan Foundation [08JK436, 08JK434]
The mechanical properties of a double-walled carbon nanotube with some regular interwall sp(3) bonds (DWCNTSB) and a double-walled carbon nanotube (DWCNT) under uniaxial loading are investigated using the classical molecular dynamics simulations method. The interaction between atoms is modeled using the empirical Tersoff-Brenner potential coupled with the Lennard-Jones (L-J) potential. The sensitivity of the mechanical behavior with respect to the atom vacancy is also examined by prescribing various vacancy defects to the {5,5}&{10,10} DWCNTSBs and DWCNTs in the compression simulations. We get the Young's modulus of the ideal {5,5}&{10,10} DWCNT and the ideal {5,5}&{10,10} DWCNTSB,, under axial tension 1157.10 and 1028.3 GPa, respectively. We also obtain the critical buckling strains and critical buckling load of {5,5}&{10,10} DWCNTSB, and find that interwall sp(3) bonding of DWCNT can enhance load transfer and increase buckling resistance significantly. The computational results also shown that the vacancy-related defects lead to lower the buckling loads and buckling strains for both DWCNTSBs and DWCNTs. (C) 2008 Elsevier B.V. All rights reserved.
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