Analysis of randomness in mechanical properties of carbon nanotubes through atomistic simulation

Collection of Technical Papers - AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics and Materials Conference

Volumn 3, Issue , 2005, Pages 1487-1499

  Lu, Qiang ^a   Bhattacharya, Baidurya ^a,b  

^a UNIVERSITY OF DELAWARE   (United States)

^b AIAA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CUMULATIVE DAMAGE; HETEROGENEOUS ATOMS; NANOTUBE STRUCTURE; VELOCITY DISTRIBUTION;

ASPECT RATIO; COMPUTER SIMULATION; DUCTILITY; FUNCTIONS; RANDOM PROCESSES; STRAIN;

CARBON NANOTUBES;

EID: 28844469972     PISSN: 02734508     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (51)

1. Iijima, S., Helical microtubules of graphitic carbon. Nature, 1991. 354: p. 56.
2. Ebbesen, T. W. and P.M. Ajayan, Large-scale synthesis of carbon nanotubes. Nature, 1992. 358: p. 220.
3. Hamada, N., S. Sawada, and A. Oshiyama, New one-dimensional conductors: Graphitic microtubules. Physical Review Letters, 1992. 68(1579-1582).
4. Saito, R., et al., Electronic structure of graphene tubules based on C60. Physical Review B, 1992. 46: p. 1804.
5. Saito, R., et al., Electronic structure of chiral graphene tubules. Applied Physics Letters, 1992. 60: p. 2204.
6. Treacy, MM., et al., Exceptional high Young's modulus observed for individual carbon nanotubes. Nature, 1996. 381(6584): p. 678.
7. Wong, E.W., P.E. Sheehan, and C.M Lieber, Nanobeam mechanics: Elasticity, strength, and toughness of nanorods and nanotubes. Science, 1997. 277(5334): p. 1971-1975.
8. Falvo, MR., et al., Bending and buckling of carbon nanotubes under large strain. Nature, 1997. 389: p. 582.
9. Terrones, M., Science and technology of the twenty-first century: Synthesis, properties, and applications of carbon nantoubes. Annual Review of Materials Research, 2003. 33: p. 419-501.
10. Bernholc, J., D. Brenner, and M.B. Nardelli, Mechanical and electrical properties of nanotubes. Annual Review of Materials Research, 2002. 32: p. 347-375.
11. Yakobson, B.I. and P. Avouris, Mechanical properties of carbon nanotubes. Topics in Applied Physics, 2001. 80: p. 287-327.
12. Ruoff, R.S. and D.C. Lorents, Mechanical and thermal-properties of carbon nanotubes. Carbon, 1995. 33(7): p. 925-930.
13. Salvetat, J.P., J.M. Bonard, and N.H. Thomson, Mechanical properties of carbon nanotubes. Applied Physics A, 1999. 69(3): p. 255-260.
14. Lu, Q. and B. Bhattacharya, Effect of randomly occurring Stone-Wales defects on mechanical properties of carbon nanotubes using atomistic simulation. Nanotechnology, 2005(4): p. 555-566.
15. Poncharal, P., et al., Electrostatic deflections and electromechanical resonances of carbon nanotubes. Science, 1999. 283(5047): p. 1513-1516.
16. Li, C. Y. and T. W. Chou, Elastic moduli of multi-walled carbon nanotubes and the effect of van der Waals forces. Composite Science and Technology, 2003. 63(11): p. 1517-1524.
17. Hernandez, E., C. Goze, and P. Bernier, Elastic properties of C and BxCyNz composite nanotubes. Physical Review Letters, 1998. 80(20): p. 4502-4505.
18. Sanchez-Portal, D., et al., Ab initio structural, elastic, and vibrational properties of carbon nanotubes. Physical Review B, 1999. 59(19): p. 12678-12688.
19. Banhart, F., Irradiation effects in carbon nanostructures. Reports on Progress in Physics, 1999. 62(8): p. 1181-1221.
20. Iijima, S., T. Ichihashi, and Y. Ando, Pentagons, heptagons and negative curvature in graphite microtubule growth. Nature, 1992. 356(776).
21. Zhou, O., et al., Defects in Carbon Nanostructures. Science, 1994. 263(5154): p. 1744-1747.
22. Charlier, J.C., Defects in Carbon nanotube. Accounts of Chemical Research, 2002. 35: p. 1063-1069.
23. Saether, E., Transverse mechanical properties of carbon nanotube crystals. Part II: sensitivity to lattice distortions. Composite Science and Technology, 2003. 63: p. 1551-1559.
24. Ouyang, M., et al., Atomically resolved single-walled carbon nanotube intramolecular junctions. Science, 2001. 291: p. 97.
25. Nardelli, M.B., B.I. Yakobson, and J. Bernholc, Brittle and Ductile behavior in carbon nanotubes. Physical Review Letters, 1998. 81(21): p. 4656.
26. Nardelli, MB., B.I. Yakobson, and J. Bernholc, Mechanism of strain release in carbon nanotube. Physical review B, 1998. 57(8): p. R4277.
27. Collins, P.G., et al., Extreme oxygen sensitivity of electronic properties of carbon nanotubes. Science, 2000. 287: p. 1001.
28. Mielke, S.L., et al., The role of vacancy defects and holes in the fracture of carbon nanotubes. Chemical Physics Letters, 2004. 390(4-6): p. 413-420.
29. Ajayan, P.M., V. Ravikumar, and J.C. Charlier, Surface reconstructions and dimensional changes in single-walled carbon nanotubes. Physical Review Letters, 1998. 81(7): p. 1437.
30. Belavin, V. V., L.G. Bulushev, and A.V. Okotrub, Modifications to the electronic structure of carbon nanotubes with symmetric and random vacancies. International Journal of Quantum Chemistry, 2004. 96(3): p. 239-246.
31. Ebbesen, T. W. and T. Takada, Topological and SP3 defect structures in nanotubes. Carbon, 1995. 33(7): p. 973-978.
32. Liew, K.M, X.Q. He, and C.H. Wong, On the study of elastic and plastic properties of multi-walled carbon nanotubes under axial tension using molecular dynamics simulation. Acta Materialia, 2004. 52(9): p. 2521-2527.
33. Chandra, N., S. Namilae, and C. Shet, Local elastic properties of carbon nanotubes in the presence of Stone-Wales defects. Physical Review B, 2004. 69(9): p. 094101.
34. Duplock, E.J., M Scheffler, and P.J.D. Lindan, Hallmark of perfect graphene. Physical Review Letters, 2004. 92(22).
35. Picozzi, S., et al., Ozone adsorption on carbon nanotubes: The role of Stone-Wales defects. Journal of Chemical Physics, 2004. 120(15): p. 7147-7152.
36. Yakobson, B.I., Mechanical relaxation and "intramolecular plasticity" in carbon nanotubes. Applied Physics Letters, 1998. 72(8): p. 918.
37. Jiang, H., et al., Defect nucleation in carbon nanotubes under tension and torsion: Stone-Wales transformation. Computer Methods in Applied Mechanics and Engineering, 2004.193(30-32): p. 3419-3429.
38. Zhao, Q., MB. Nardelli, and J. Bernholc, Ultimate strength of carbon nanotubes: A theoretical study. Physical Review B, 2002. 65: p. 144105.
39. Samsonidze, G.G., G.G. Samsonidze, and B.I. Yakobson, Kinetic Theory of Symmetry-Dependent Strength in Carbon Nanotubes. Physical Review Letters, 2002. 88: p. 065501.
40. Zhou, L.G. and S.Q. Shi, Formation energy of Stone-Wales defects in carbon nanotubes. Applied Physics Letters, 2003. 83(6): p. 1222.
41. Dumitrica, T., T. Belytschko, and B.I. Yakobson, Bond-breaking bifurcation states in carbon nanotube fracture. Journal of Chemical Physics, 2003.118(21): p. 9485-9488.
42. Troya, D., S.L. Mielke, and G.C. Schatz, Carbon nanotube fracture - differences between quantum mechanical mechanisms and those of empirical potentials. Chemical Physics Letters, 2003. 382(1-2): p. 133-141.
43. Matern, B., Spatial Variation. 1960: Stockholm.
44. Lu, Q., Influence of randomly occurring defects on mechanical behavior of carbon nanotubes, PhD thesis., in Civil and Environmental Engineering Department. 2005, University of Delaware: Newark, DE.
45. Lu, Q. and B. Bhattacharya, The role of atomistic simulations in probing the small-scale aspects of fracture - a case study on a single-walled carbon nanotube. Engineering Fracture Mechanics, 2005. in press.
46. Belytschko, T., et al., Atomistic simulations of nanotube fracture. Physical Review B, 2002. 65: p. 235430.
47. Belytschko, T., et al., Atomistic simulations of nanotube fracture. Physical Review B (Condensed Matter and Materials Physics), 2002. 65(23): p. 235430-8.
48. Huhtala, M., et al., Improved mechanical load transfer between shells of multiwalled carbon nanotubes. Physical Review B, 2004. 70(4).
49. Wei, C., K. Cho, and D. Srivastava, Tensile strength of carbon nanotubes under realistic temperature and strain rate. Physical Review B, 2003. 67: p. 115407.
50. Yao, N. and V. Lordi, Young's modulus of single-walled carbon nanotubes. Journal of Applied Physics, 1998. 84(4): p. 1939.
51. Anderson, H.C., Molecular dynamics at constant pressure and/or temperature. Journal of Chemical Physics, 1980. 72: p. 2384-2393.