Bond-breaking bifurcation states in carbon nanotube fracture

Journal of Chemical Physics

Volumn 118, Issue 21, 2003, Pages 9485-9488

  Dumitricǎ, Traian ^a,b   Belytscko, Ted ^a,b   Yakobson, Boris I ^a,b  

^a Rice University   (United States)

^b RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIFURCATION (MATHEMATICS); BRITTLE FRACTURE; CRACKS; FULLERENES; NUCLEATION; QUANTUM THEORY; TEMPERATURE; TENSILE STRESS; THERMODYNAMICS;

ATOMIC STRUCTURES; BOND BREAKING; BRITTLE CRACK NUCLEATION; CHARGE DENSITY DISTRIBUTIONS; FULLERENE NANOTUBES;

CARBON NANOTUBES;

EID: 0037665267     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1577540     Document Type: Article

References (38)

1. R. L. B. Selinger, Z.-G. Wang, and W. Gelbart, J. Chem. Phys. 95, 9128 (1991)
2. R. L. B. Selinger, Z.-G. Wang, W. Gelbart, and A. Ben-Shaul, Phys. Rev. A 43, 4396 (1991).
3. Z.-G. Wang, U. Landman, R. L. B. Selinger, and W. M. Gelbart, Phys. Rev. B 44, 378 (1991).
4. Carbon Nanotubes, edited by M. S. Dresselhaus, G. Dresselhaus, and Ph. Avouris, Topics Appl. Phys. (Springer Verlag, Berlin, 2001), Vol. 80.
5. H. D. Wagner, O. Lourie, Y. Feldman, and R. Tenne, Appl. Phys. Lett. 72, 188 (1998).
6. M. F. Yu, B. I. Yakobson, and R. S. Ruoff, J. Phys. Chem. B 104, 8764 (2000).
7. M. F. Yu, O. Lourie, M. J. Deyer, K. Moloni, T. F. Kelly, and R. S. Ruoff, Science (Washington, DC, U.S.) 287, 637 (2000)
8. M. F. Yu, B. S. Files, S. Arepalli, and R. S. Ruoff, Phys. Rev. Lett. 84, 5552 (2000).
9. B. Vigolo, A. Penicaud, C. Coulon, C. Sauder, R. Pailler, C. Journet, P. Bernier, and P. Poulin, Science (Washington, DC, U.S.) 290, 1331 (2000)
10. H. W. Zhu, C. L. Xu, D. H. Wu, B. Q. Wei, R. Vajtai, and P. M. Ajayan, Science (Washington, DC, U.S.) 296, 884 (2002)
11. K. Jiang, Q. Li, and S. Fan, Nature (London) 419, 801 (2002).
12. B. G. Demczyk, Y. M. Wang, J. Cumings, M. Hetman, W. Han, A. Zettl, and R. O. Ritchie, Mater. Sci. Eng., A 334, 173 (2002)
13. D. Bozovic, M. Bockrath, J. H. Hafner, C. M. Lieber, H. Park, and M. Tinkham, Phys. Rev. B 67, 033407 (2003).
14. S. Iijima, C. Brabec, A. Maiti, and J. Bernholc, J. Chem. Phys. 104, 2089 (1996).
15. E. Hernández, C. Goze, P. Bernier, and A. Rubio, Phys. Rev. Lett. 80, 4502 (1998).
16. B. I. Yakobson, Appl. Phys. Lett. 72, 918 (1998).
17. M. B. Nardelli, B. I. Yakobson, and J. Bernholc, Phys. Rev. B 57, R4277 (1998)
18. M. B. Nardelli, B. I. Yakobson, and J. Bernholc, Phys. Rev. Lett. 81, 4656 (1998).
19. P. Zhang, P. E. Lammert, and V. H. Crespi, Phys. Rev. Lett. 81, 5346 (1998).
20. P. Calvert, Nature (London) 399, 210 (1999).
21. D. Srivastava, M. Menon, and K. Cho, Phys. Rev. Lett. 83, 2973 (1999).
22. A. J. Stone and D. J. Wales, Chem. Phys. Lett. 128, 501 (1986).
23. E. Kaxiras and K. C. Pandey, Phys. Rev. Lett. 61, 2693 (1988).
24. D. L. Strout, G. K. Odom, and G. E. Scuseria, Nature (London) 366, 665 (1993)
25. B. R. Eggen, M. I. Heggie, G. Jungnickel, C. D. Latham, R. Jones, and P. R. Briddon, Science (Washington, DC, U.S.) 272, 87 (1996).
26. Ge. G. Samsonidze, G. G. Samsonidze, and B. I. Yakobson, Phys. Rev. Lett. 88, 065501 (2002).
27. R. Thomson, Solid State Physics 39, 1 (1986).
28. For the propagating cracks in silicon, trapped states have been simulated earlier, and notably require quantum description of atomistic bonding, J. C. H. Spence, Y. M. Huang, and O. Sankey, Acta Metall. Mater. 47, 2815 (1993)
29. R. Pérez and P. Gumbsch, Phys. Rev. Lett. 84, 5347 (2000)
30. N. Bernstein and D. Hess, Mater. Res. Soc. Symp. Proc. 653, Z2.7 (2001).
31. T. Belytschko et al., Phys. Rev. B 65, 235430 (2002).
32. M. J. S. Dewar, J. Am. Chem. Soc. 107, 3902 (1985).
33. J. M. Frisch et al., Gaussian 98, Revision A11.2, Gaussian, Inc., Pittsburgh, PA, 2001.
34. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
35. The dilatation for b = 1 states is less than 0.5% which ensures that the present results obtained within the constant-length condition hold also if the constant-stress condition would be employed.
36. T. Dumitricǎ, M. Hua, H. F. Bettinger, and B. I. Yakobson, (unpublished).
37. G. Zhou, W. Duan, and B. Gu, Phys. Rev. Lett. 87, 095504 (2001).
38. J. Liu, A. G. Rinzler, and H. Dai et al., Science (Washington, DC, U.S.) 280, 1253 (1998).