Effects of surface and in-layer van der Waals interaction on mechanical properties for carbon nanotubes

Advanced Materials Research

Volumn 33-37 PART 2, Issue , 2008, Pages 993-998

  Chen, Wen Hwa ^a   Cheng, Hsien Chie ^b   Liu, Yang Lun ^a  

^a NATIONAL TSING HUA UNIVERSITY   (Taiwan)

^b FENG CHIA UNIVERSITY   (Taiwan)

Author keywords

Carbon nanotube; Mechanical properties; Surface effect; Van der Waals forces

Indexed keywords

CONTINUUM MECHANICS; FRACTURE; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; VAN DER WAALS FORCES;

ATOMISTIC-CONTINUUM MODEL; BULK MECHANICAL PROPERTIES; CLASSICAL MOLECULAR MECHANICS; EQUIVALENT-CONTINUUM MODELS; INITIAL EQUILIBRIUM STATE; MOLECULAR DYNAMICS SIMULATIONS; SURFACE EFFECT; VAN DER WAALS INTERACTIONS;

CARBON NANOTUBES;

EID: 45749104467     PISSN: 10226680     EISSN: None     Source Type: Book Series    
DOI: 10.4028/www.scientific.net/amr.33-37.993     Document Type: Conference Paper

References (12)

1. Wiberg, K. B., 1965, "A scheme for strain energy minimization. Application to the cycloalkanes," Journal of American Chemical Society, Vol.87, pp.1070.
2. Rappe, A. K. and Casewit, C. J., 1997, "Molecular Mechanics across chemistry," University Science Books.
3. Li, C. Y. and Chou, T. W., 2003a, "A structural mechanics approach for the analysis of carbon nanotubes," International Journal of Solid and Structures, Vol. 40, pp. 2487-2499.
4. Li, C. Y. and Chou, T. W., 2003b, "Elastic moduli of multi-walled carbon nanotubes and the effect of van der Waals forces," Composite Science and Technology, Vol. 63, pp. 1517-1524.
5. Chang, T. C. and Gao, H. J., 2003, "Size-dependent elastic properties of a single-walled carbon nanotube via a molecular mechanics model," Journal of the Mechanics and Physics of Solids, Vol. 51, pp. 1059-1074.
6. Cornell, W. D., Cieplak, P., Bayly, C. I., Gould, I. R., Merz, Jr., K. M., Ferguson, D. M., Spellmeyer, D. C., Fox, T., Caldwell, J. W., and Kollman, P. A., 1995, "A second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules," Journal of the American Chemical Society, Vol. 117, pp. 5179-5197.
7. Lu, J. P., 1997, "Elastic properties of carbon nanotubes and nanoropes," Physical Review Letters, Vol. 79, pp. 1297-1300.
8. Krishnan, A., Dujardin, E., Ebbesen, T. W., Yianilos, P. N. and Treacy, M. M. J., 1998, "Young's modulus of single-walled nanotubes," Physical Review B, Vol. 58, pp. 14013-14019.
9. Wong, E. W., Sheehan, P. E. and Lieber, C. M., 1997, "Nanobeam Mechanics: Elasticity, Strength, and Toughness of Nanorods and Nanotubes," Science, Vol. 277, pp. 1971-1975.
10. Popov, V. N., and Van Doren, 2000, "Elastic properties of single-walled carbon nanotubes," Physical Review B, Vol.61, pp. 3078-3084.
11. Xiao, J. R., Gama, B. A., Gillespie Jr. J. W., 2005, "An analytical molecular structural mechanics model for the mechanical properties of carbon nanotubes," International Journal of Solid and Structures, Vol.42, pp. 3075-3092.
12. Chen, W. H., Cheng, H. C., and Hsu, Y. C., 2007, "Mechanical properties of carbon nanotubes using molecular dynamics simulations with the inlayer van der Waals interactions," Computer Modeling in Engineering & Sciences, Vol.20, No. 2, pp.123-145.