Abstract
In this paper, the influence of various vacancy and Stone-Wales defects on the Young’s modulus of single-walled carbon nanotubes is investigated via a structural model. Dispersion in experimental results is the motivation for this work. Our results show that the type of method used (loading and boundary condition) for the prediction of the Young’s modulus of SWCNTs is very important for the results. The effect of different types of defects on the Young’s modulus is also studied for zigzag and armchair nanotubes with various aspect ratios (length/diameter). A comparison of our results with those of experimental methods indicates that for the exact prediction of the Young’s modulus of SWCNTs we need to apply the correct conditions.
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References
Iijima S.: Helical microtubules of graphitics carbon. Nature 354, 56–58 (1991)
Nardelli M.B., Fattebert J.L., Orlikowski D., Roland C., Zhao Q., Bernholc J.: Mechanical properties, defects and electronic behavior of carbon nanotubes. Carbon 38, 1703–1711 (2003)
Iijima S., Ichlhashi T.: Single-shell carbon nanotubes of 1-nm diameter. Nature 363, 603–605 (1993)
Wong E.W., Sheehan P.E., Lieber C.M.: Nanobeam mechanics: elasticity, strength, and toughness of nanorods and nanotubes. Science 277, 1971–1975 (1997)
Krishnan A., Dujardin E., Ebbesen T.W., Yianilos P.N., Treacy M.M.J.: Young’s modulus of single-walled nanotubes. Phys. Rev. B 58, 14013–14019 (1998)
Salvetat J., Bonard J., Thomson N.H., Kulik A.J., Forro L., Benoit W., Zuppiroli L.: Mechanical properties of carbon nanotubes. Appl. Phys. A 69, 255–260 (1999)
Tombler T.W., Zhou C., Alexseyev L., Kong J., Dai H., Liu L., Jayanthi C.S., Tang M., Wu S.: Reversible electromechanical characteristics of carbon nanotbues under local-probe manipulation. Nature 405, 769–772 (2000)
Yu M., Files B., Arepalli S., Ruoff R.: Tensile loading of ropes of single wall carbon nanotubes and their mechanical properties. Phys. Rev. Lett. 84, 5552–5555 (2000)
Li C.Y., Chou T.S.: A structural mechanics approach for the analysis of carbon nanotubes. Int. J. Solids Struct. 40, 2487–2499 (2003)
Tserpes K.I., Papanikos P.: Finite element modeling of single-walled carbon nanotubes. Compos. Part B. 36, 468–477 (2005)
Hu N., Fukunaga H., Lu C., Kameyama M., Yan B.: Prediction of elastic properties of carbon nanotube-reinforced composites. Series A. Math. Phys. Sci. 461, 1685–1710 (2005)
Kalamkarov A.L., Georgiades A.V., Rokkam S.K., Veedu V.P., Ghasemi-Nejhad M.N.: Analytical and numerical techniques to predict carbon nanotubes properties. Int. J. solids struct. 43, 6832–6854 (2006)
Meo M., Rossi M.: Tensile failure prediction of single wall carbon nanotube. Eng. Fract. Mech. 73, 2589–2599 (2006)
Natsuki T., Tantrakarn K., Endo M.: Prediction of elastic properties of single-walled carbon nanotubes. Carbon 42, 39–45 (2003)
Odegard, G.M., Gates, T.S., Nicholson, L.M., Wise, K.E.: Equivalent-continuum modeling with application to carbon nanotubes. NASA/TM, 211454 (2002)
Yakobson B.I., Brabec C.J., Bernholc J.: Nanomechanics of carbon tubes: instability beyond linear response. Phys. Rev. Lett. 76, 2511–2514 (1996)
Cornwell C.F., Wille L.T.: Elastic properties of single-walled carbon nanotubes in compression. Solid State Commun. 101, 555–558 (1997)
Lu J.P.: Elastic properties of carbon nanotubes and nanoropes. Phys. Rev. Lett. 79, 1297–1300 (1998)
Yao N., Lordi V.: Young’s modulus of single-walled carbon nanotubes. J. Appl. Phys. 84, 1939–1943 (1998)
Goze C., Vaccarini L., Henrard L., Bernier P., Hernandez E., Rubio A.: Elastic and mechanical properties of carbon nanotubes. Synth. Metals. 103, 2500–2501 (1999)
Lier G.V., Alsenoy C.V., Doren V.V., Geerlings P.: Ab initio study of the elastic properties of single-walled carbon nanotubes and grapheme. Chem. Phys. Lett. 326, 181–185 (2000)
Kudin K.N., Scuseria G.E., Yakobson B.I.: 2F, BN and C nanoshell elasticity from ab initio computations. Phys. Rev. B. 64, 235406 (2001)
Belytschko T., Xiao S.P., Schatz G.C., Ruoff R.S.: Atomistic simulations of nanotube fracture. Phys. Rev. B. 65, 235–430 (2002)
Troya D., Mielke S.L., Schatz G.C.: Carbon nanotube fracture—differences between quantum mechanical mechanisms and those of empirical potentials. Chem. Phys. Lett. 382, 133–141 (2003)
Shen L., Li J.: Transversely isotropic elastic properties of single-walled carbon nanotubes. Phys. Rev. B. 69, 045414 (2004)
Xiao J.R., Gama B.A., Gillespie J.W.: An analytical molecular structural mechanics model for the mechanical properties of carbon nanotubes. Int. J. Solids Struct. 42, 3075–3092 (2005)
Huang Y., Wu J., Hwang K.C.: Thickness of graphene and single-wall carbon nanotubes. Phys. Rev. B. 74, 245413–245419 (2006)
Parvaneh V., Shariati M., Majd Sabeti A.M.: Investigation of defects effects on the buckling behavior of SWCNTs via a structural mechanics approach. Eur. J. Mech. A/Solids 28, 1072–1078 (2009)
Rappe A.K., Casewit C.J., Colwell K.S. et al.: UFF, A full periodic-table force-field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 114, 10024–10035 (1992)
Stone A.J., Wales D.J.: Theoretical studies of icosahedral C60 and some related species. Chem. Phys. Lett. 128, 501–503 (1986)
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Parvaneh, V., Shariati, M. Effect of defects and loading on prediction of Young’s modulus of SWCNTs. Acta Mech 216, 281–289 (2011). https://doi.org/10.1007/s00707-010-0373-y
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DOI: https://doi.org/10.1007/s00707-010-0373-y