Defect nucleation in carbon nanotubes under tension and torsion: Stone-Wales transformation

Computer Methods in Applied Mechanics and Engineering

Volumn 193, Issue 30-32, 2004, Pages 3419-3429

  Jiang, H ^a   Feng, X Q ^b   Huang, Y ^a   Hwang, K C ^b   Wu, P D ^c  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^b TSINGHUA UNIVERSITY   (China)

^c ALCAN INTERNATIONAL LIMITED   (Canada)

Author keywords

Carbon nanotube; Defects; Hybrid continuum atomistic model; Interatomic potential

Indexed keywords

CARBON NANOTUBES; DEFECTS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NUCLEATION; TENSILE TESTING; TORSIONAL STRESS;

DEFECT NUCLEATION; INTERATOMIC POTENTIAL; SHEAR STRAIN;

CONTINUUM MECHANICS;

DEFECT; NUCLEATION; TENSION; TORSION;

EID: 2942718511     PISSN: 00457825     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cma.2003.09.025     Document Type: Article

References (33)

1. Amelinckx S. Zhang X.B. Bernaerts D. Zhang X.F. Ivanov V. Nagy J.B. A formation mechanism for catalytically grown helix-shaped graphite nanotubes Science 265 1994 635-639
2. Arroyo M. Belytschko T. An atomistic-based finite deformation membrane for single layer crystalline films J. Mech. Phys. Solids 50 2002 1941-1977
3. Belytschko T. Xiao S.P. Schatz G.C. Ruoff R.S. Atomistic simulations of nanotube fracture Phys. Rev. B 65 2002 1-8
4. Born M. Huang K. Dynamical theory of the crystal lattices 1954 Oxford University Press Oxford
5. Brenner D.W. Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films Phys. Rev. B 42 1990 9458-9471
6. Carroll D.L. Redlich P. Ajayan P.M. Charlier J.C. Blase X. Vita A.D. Car R. Electronic structure and localized states at carbon nanotube tips Phys. Rev. Lett. 78 1997 2811-2814
7. Cousins C. Inner elasticity J. Phys. C 11 1978 4867-4879
8. Dumitrica T. Belytschko T. Yakobson B.I. Bond-breaking bifurcation states in carbon nanotube fracture J. Chem. Phys. 118 2003 9485-9488
9. 3 defect structures in nanotubes Carbon 33 1995 973-999
10. Govindjee S. Sackman J.L. On the use of continuum mechanics to estimate the properties of nanotubes Solid State Commun. 110 1999 227-230
11. Y. Huang, Z.L. Wang, Mechanics of carbon nanotubes, in: B. Karihaloo, R. Ritchie, I. Milne (Eds.), Comprehensive Structural Integrity Handbook, Vol. 8 of Interfacial and Nanoscale Fracture (volume editors W. Gerberwich, W. Yang), Elsevier, Amsterdam, 2003, chapter 8.16, pp. 551-579
12. IMSL(R) Fortran 90 MP Library Version 4.01. McGraw-Hill, San Ramon, 1999
13. Jiang H. Zhang P. Liu B. Huang Y. Geubelle P.H. Gao H. Hwang K.C. The effect of nanotube radius on the constitutive model for carbon nanotubes Computat. Mater. Sci. 28 2003 429-442
14. Kim P. Odom T.W. Huang J. Lieber C.M. Electronic density of states of atomically resolved single-walled carbon naotubes: Van Hove singularities and end states Phys. Rev. Lett. 82 1999 1225-1228
15. Meunier V. Lambin P. Scanning tunneling microscopy and spectroscopy of topological defects in carbon nanotubes Carbon 38 2000 1729-1733
16. Milstein F. Review: theoretical elastic behaviour at large strains J. Mater. Sci. 15 1980 1071-1084
17. Nardelli M.B. Yakobson B.I. Bernholc J. Brittle and ductile behavior in carbon nanotubes Phys. Rev. Lett. 81 1998 4656-4659
18. Nardelli M.B. Yakobson B.I. Bernholc J. Mechanism of strain release in carbon nanotubes Phys. Rev. B 57 1998 R4277-R4280
19. Qian D. Wagner G.J. Liu W.K. Yu M.-F. Ruoff R.S. Mechanics of carbon nanotubes Appl. Mech. Rev. 2002
20. Ruoff R.S. Lorents D.C. Mechanical and thermal properties of carbon nanotubes Carbon 33 1995 925-930
21. Saito R. Dresselhaus G. Dresselhaus M.S. Physical Properties of Carbon Nanotubes 1998 Imperial College Press London
22. Srivastava D. Menon M. Cho K.J. Computational nanotechnology with carbon nanotubes and fullerenes Comput. Sci. Engrg. 3 2001 42-55
23. Tadmor E.B. Smith G.S. Bernstein N. Kaxiras E. Mixed finite element and atomistic formulation for complex crystals Phys. Rev. B 59 1999 235-245
24. Tekleab D. Carroll D.L. Samsonidze G. Yakobson B.I. Stain-induced electronic property heterogeneity of a carbon nanotube Phys. Rev. B 64 2001 035419-1-035419-5
25. Terrones H. Terrones M. Hernández E. Grobert N. Charlier J.-C. Ajayan P.M. New metallic allotropes of planar and tubular carbon Phys. Rev. Lett. 84 2000 1716-1719
26. Terrones M. Hsu W.K. Hare J.P. Kroto H.W. Terrones H. Walton D.R.M. Graphitic structures: from planar to spheres toroids and helices Philos. Trans. R. Soc. London Ser. A 354 1996 2025-2054
27. Weiner J.H. Statistical Mechanics of Elasticity 1983 John Wiley and Sons New York
28. B.I. Yakobson, P. Avouris, Mechanical properties of carbon nanotubes, in: M.S. Dresselhaus, G. Dresselhaus, P. Avouris (Eds.), Carbon Nanotubes, Topics in Applied Physics, vol. 80, 2001
29. Yakobson B.I. Campbell M.P. Brabec C.J. Bernholc J. High strain rate fracture and C-chain unraveling in carbon nanotubes Computat. Mater. Sci. 8 1997 341-348
30. Yu M.-F. Lourie O. Dyer M.J. Moloni K. Kelly T.F. Ruoff R.S. Strength and breaking mechanism of multiwalled carbon nanotubes under tensile load Science 287 2000 637-640
31. Zhang P. Huang Y. Gao H. Hwang K.C. Fracture nucleation in single-wall carbon nanotubes under tension: a continuum analysis incorporating interatomic potentials J. Appl. Mech. 69 2002 454-458
32. Zhang P. Huang Y. Geubelle P.H. Hwang K.C. On the continuum modeling of carbon nanotubes Acta Mech. Sin. 18 2002 528-536
33. Zhang P. Huang Y. Geubelle P.H. Klein P.A. Hwang K.C. The elastic modulus of single-wall carbon nanotubes: a continuum analysis incorporating interatomic potentials Int. J. Solids Struct. 39 2002 3893-3906