An analytical molecular structural mechanics model for the mechanical properties of carbon nanotubes

International Journal of Solids and Structures

Volumn 42, Issue 11-12, 2005, Pages 3075-3092

  Xiao, J R ^a   Gama, B A ^a   Gillespie Jr , J W ^a,b  

^a UNIVERSITY OF DELAWARE   (United States)

^b UNIVERSITY OF DELAWARE   (United States)

Author keywords

Elastic properties; Molecular mechanics; Morse potential; Nanotube; Strength; Stress strain relationships

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; CONTINUUM MECHANICS; ELASTIC MODULI; MATERIALS SCIENCE; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; POISSON RATIO; STIFFNESS; TORSIONAL STRESS;

ELASTIC PROPERTIES; MOLECULAR MECHANICS; MORSE POTENTIAL; STRESS-STRAIN RELATIONSHIPS;

CARBON NANOTUBES;

EID: 13444311634     PISSN: 00207683     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijsolstr.2004.10.031     Document Type: Article

References (44)

1. G.C. Abell Empirical chemical pseudopotential theory of molecular and metallic bonding Physical Review B 31 1985 6184 6196
2. F.F. Abraham, J.Q. Broughton, N. Bernstein, and E. Kaxiras Spanning the continuum to quantum length scales in a dynamic simulation of brittle fracture European Physical Letters 44 6 1998 783 787
3. T. Belytschko, and S.P. Xiao Coupling methods for continuum model with molecular model International Journal for Multiscale Computational Engineering 1 2003 115 126
4. T. Belytschko, S.P. Xiao, G.C. Schatz, and R.S. Ruoff Atomistic simulations of nanotube fracture Physical Review B 65 2002 235 430
5. O.L. Blakslee, D.G. Proctor, E.J. Seldin, G.B. Spence, and T. Weng Elastic constants of compression-annealed pyrolytic graphite Journal of Applied Physics 41 1970 3373 3382
6. D.W. Brenner Empirical potential for hydrocarbons for use in simulating the chemical vapor-deposition of diamond films Physical Review B 42 1990 9458 9471
7. T. Chang, and H. Gao Size-dependent elastic properties of a single-walled carbon nanotube via a molecular mechanics modelnanotubes Journal of the Mechanics and Physics of Solids 51 2003 1059 1074
8. J. Che, T. Cagin, and W.A. Goddard Thermal conductivity of carbon nanotubes Nanotechnology 11 2000 65 69
9. P.W. Chung, and R.R. Namburu On a formulation for a multiscale atomistic-continuum homogenization method International Journal of Solids and Structures 40 2003 2563 2588
10. M.S. Dresselhaus, G. Dresselhaus, and P.C. Eklund Science of Fullerenes and Carbon Nanotubes 1996 Academic Press San Diego
11. C. Goze, L. Vaccarini, L. Henrard, P. Bernier, E. Hernandez, and A. Rubio Elastic and mechanical properties of carbon nanotubes Synthetic Metals 103 1999 2500 2501
12. E. Hernandez, C. Goze, P. Bernier, and A. Rubio Elastic properties of single-wall nanotubes Applied Physics A 68 1999 287 292
13. S. Iijima Helical microtubes of graphitic carbon Nature 354 1991 56 58
14. H. Jiang, P. Zhang, B. Liu, Y. Huang, P.H. Geubelle, H. Gao, and K.C. Hwang The effect of nanotube radius on the constitutive model for carbon nanotubes Computational Material Science 28 2003 429 442
15. Jin, Y., Yuan, F.G., 2002. Elastic properties of single-walled carbon nanotubes. AIAA-2002-1430
16. A. Krishnan, E. Dujardin, T.W. Ebbesen, P.N. Yianilos, and M.M.J. Treacy Young's modulus of single-walled nanotubes Physical Review B 58 20 1998 14013 14019
17. C.Y. Li, and T.S. Chou A structural mechanics approach for the analysis of carbon nanotubes International Journal of Solids and Structures 40 2003 2487 2499
18. F. Li, B.S. Cheng, G. Su, and M.S. Dresselhaus Tensile strength of single-walled carbon nanotubes directly measured from their microscopic ropes Applied Physical Letters 77 2000 3161 3163
19. O. Lourie, and H.D. Wagner Evaluation of Young's modulus of carbon nanotubes by micro-raman spectroscopy Journal of Material Research 13 1998 2418 2422
20. J.P. Lu Elastic properties of carbon nanotubes and nanoropes Physical Review Letters 79 1997 1297 1300
21. J.M. Molina, S.S. Savinsky, and N.V. Khokhriakov A tight-binding model for calculations of structures and properties of graphitic nanotubes Journal of Chemical Physics 104 1996 4652 4656
22. M.B. Nardelli, J.L. Fattebert, D. Orlikowski, C. Roland, Q. Zhao, and J. Bernholc Mechanical properties, defects and electronic behavior of carbon nanotubes Carbon 38 2000 1703 1711
23. Odegard, G.M., Gates, T.S., Nicholson, L.M., Wise, K.E., 2002. Equivalent-continuum modeling with application to carbon nanotubes. NASA/TM-2002-211454
24. G. Overney, W. Zhong, and D. Tomanek Structural rigidity and low-frequency vibrational modes of long carbon tubules Zeitschrift für Physik D 27 1993 93 96
25. A. Pantano, D.M. Parks, and M.C. Boyce Mechanics of deformation of single-and multi-wall carbon nanotubes Journal of the Mechanics and Physics of Solids 52 2004 789 821
26. V.N. Popov, V.E. Van Doren, and M. Balkanski Elastic properties of single-walled carbon nanotubes Physical Review B 61 2000 3078 3084
27. D. Qian, G.J. Wagner, W.K. Liu, M.F. Yu, and R.S. Ruoff Mechanics of carbon nanotubes Applied Mechanics Review 55 2 2002 495 533
28. R.E. Rudd, and J.Q. Broughton Concurrent coupling of length scales in solid state systems Physica Status Solidi B 217 1 2000 251 291
29. J.P. Salvetat, J.M. Bonard, N.H. Thomson, A.J. Kulik, L. Forro, W. Benoit, and L. Zuppiroli Mechanical properties of carbon nanotubes Applied Physics A 69 1999 255 260
30. D. Sanchez-Portal, E. Artacho, J.M. Soler, A. Rubio, and P. Ordejon Ab-initio structural, elastic, and vibrational properties of carbon nanotubes Physical Review B 59 1999 12678
31. V.B. Shenoy, R. Miller, E.B. Tadmor, D. Rodney, R. Phillips, and M. Ortiz An adaptive finite element approach to atomic-scale mechanics-the quasicontinuum method Journal of the Mechanics and Physics of Solids 47 3 1999 611 642
32. E.B. Tadmor, M. Ortiz, and R. Phillips Quasicontinuum analysis of defects in solids Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties 73 1996 1529 1563
33. J. Tersoff Empirical interatomic potential for carbon, with applications to amorphous-carbon Physical Review Letters 61 1988 2872 2879
34. E.T. Thostenson, Z. Ren, and T.W. Chou Advances in the science and technology of carbon nanotubes and their composites: a review Composites Science and Technology 61 2001 1899 1912
35. M.M.J. Treacy, T.W. Ebbesen, and J.M. Gibson Exceptionally high Young's modulus observed for individual carbon nanotubes Nature 381 1996 678 680
36. G. Van Lier, C. Van Alsenoy, V. Van Doren, and P. Geerlings Ab initio study of the elastic properties of single-walled carbon nanotubes and graphene Chemical Physical Letters 326 2000 181
37. E.W. Wong, P.E. Sheehan, and C.M. Lieber Nanobeam mechanics: elasticity, strength, and toughness of nanorods and nanotubes Science 277 1997 1971 1975
38. B.I. Yakobson, and P. Avouris Mechanical properties of carbon nanotubes M.S. Dresselhaus G. Dresselhaus P. Avouris Carbon Nanotubes Topics in Applied Physics vol. 80 2001 Springer Verlag Berlin/Heidelberg 287 329
39. B.I. Yakobson, C.J. Brabec, and J. Bernholc Nanomechanics of carbon tubes: instability beyond linear response Physical Review Letters 76 1996 2511 2514
40. N. Yao, and V. Lordi Young's modulus of single-walled carbon nanotubes Journal of Applied Physics 84 1998 1939 1943
41. L.H. Ye, B.G. Liu, and D.S. Wang Ab initio molecular dynamics study on small carbon nanotubes Chinese Physical Letters 18 2001 1496 1499
42. M.F. Yu, O. Lourie, M.J. Dyer, K. Moloni, T.F. Kelly, and R.S. Ruoff Strength and breaking mechanism of multiwalled carbon nanotubes under tensile load Science 287 2000 637 640
43. P. Zhang, Y. Huang, P.H. Geubelle, P.A. Klein, and K.C. Hwang The elastic modulus of single-wall carbon nanotubes: a continuum analysis incorporating interatomic potentials International Journal of Solids and Structures 39 2002 3893 3906
44. S.P. Xiao, and T. Belytschko A bridging domain method for coupling continuum with molecular dynamics Computer Methods in Applied Mechanics and Engineering 193 2004 1645 1669