Mesoscopic simulation of self-assembly of carbon nanotubes into a network of bundles

47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition

Volumn , Issue , 2009, Pages

  Volkov, Alexey N ^a   Simiov, Kiril R ^a   Zhigilei, Leonid V ^a  

^a University of Virginia   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; EQUATIONS OF MOTION; SELF ASSEMBLY; SUPERCONDUCTING MATERIALS; VAN DER WAALS FORCES;

CHAIN OF NODES; COARSE-GRAINED; COMPUTATIONAL APPROACH; COMPUTATIONAL MODEL; DYNAMIC BEHAVIORS; MESOSCOPIC SIMULATION; NETWORK STRUCTURES; VAN DER WAALS INTERACTIONS;

CARBON NANOTUBES;

EID: 78549270435     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.2514/6.2009-1544     Document Type: Conference Paper

References (29)

1. Schonfeld, J. E., Ellerby, D. T., and Arnold, J. O., "An Integrated Thermal and Radiation Protection Shield, " Proc. 16th Annual NASA Space Radiation Investigators' Workshop, Port Jefferson, New York, May 15 -18, 2005.
2. Vaia, R., and Giannelis, E., "Polymer Nanocomposites: Status and Opportunities, " MRS Bulletin, Vol. 26, 2001, p. 394.
3. Vaia, R. A., and Krishna-moorti, R. (ed.), Polymer Nanocomposites, American Chemical Society, Washington, DC, 2001.
4. Srivastava, D., Wei, C., and Cho, K., "Nano-mechanics of Carbon Nanotubes and Composites, " Appl. Mech. Rev., Vol. 56, 2003, pp. 215-229.
5. Hu, Y. H., Shenderova, O. A., Hu, Z., Padgett, C. W., and Brenner, D. W., "Carbon Nanostructures for Advanced Composites, " Rep. Prog. Phys., Vol. 69, 2006, pp. 1847-1895.
6. Yeh, M. K., Tai, N. H., and Liu, J. H., "Dynamic Mechanical Properties of MWNTs/Phenolic Nanocomposites, " Key Engineering Materials, Vol. 306-308, 2006, pp. 1073-1078.
7. Hastings, D. E., and Garrett, H. B., Spacecraft-Environment Interactions, Cambridge University Press, Cambridge, England, U.K., 1996, pp. 142-206.
8. Lai, S. T., Murad, E., and McNeil, W. J., "Hazards of Hypervelocity Impacts on Spacecraft, " Journal of Spacecraft and Rockets, Vol. 39, 2002, pp. 106-114.
9. Wei, C. Y., and Srivastava, D., "Theory of Transport of Long Polymer Molecules through Carbon Nanotube Channels, " Phys. Rev. Lett., Vol. 91, 2003, 235901.
10. Ni, B., Sinnott, S. B., Mikulski, P. T., and Harrison, J. A., "Compression of Carbon Nanotubes Filled with C-60, CH4, or Ne: Predictions from Molecular Dynamics Simulations, " Phys. Rev. Lett., Vol. 88, 2002, 205505.
11. Thess, A., Lee, R., Nikolaev, P., Dai, H., Petit, P., Robert, J., Xu, Ch., Lee, Y. H., Kim, S. G., Rinzler, A. G., Colbert, D. T., Scuseria, G. E., Tomanek, D., Fischer, J. E., and Smalley, R. E., "Crystalline Ropes of Metallic Carbon Nanotubes, " Science, Vol. 273, 1996, pp. 483-487.
12. Liu, J., Rinzler, G., Dai, H., Hafner, J. H., Bradley, R. K., Boul, P. J., Lu, A., Iverson, T., Shelimov, K., Huffman, C. B., Rodriquez-Macias, F. J., Shon, Y.-S., Lee, T. R., Colbert, D. T., Smalley, R. E., "Fullerene Pipes, " Science, Vol. 280, 1998, pp. 1253-1256.
13. Rinzler, A. G., Liu, J., Dai, H., Nikolaev, P., Huffman, C. B., Rodriquez-Macias, F. J., Boul, P. J., Lu, A. H., Heymann, D., Colbert, D. T., Lee, R. S., Fischer, J. E., Rao, A. M., Eklund, P. C., and Smalley, R. E., "Large-Scale Purification of Single- Wall Carbon Nanotubes: Process, Product, and Characterization, " Appl. Phys. A, Vol. 67, 1998, pp. 29-37.
14. Berhan, L., Yi, Y. B., Sastry, A. M., Munoz, E., Selvidge, M., and Baughman, R., "Mechanical Properties of Nanotube Sheets: Alteration in Joint Morphology and Achievable Moduli in Manufactured Material, " J. Appl. Phys., Vol. 95, 2004, pp. 4335- 4345.
15. Berhan, L., Yi, Y. B. and Sastry, A. M., "Effect of Nanorope Waviness on the Effective Moduli of Nanotube Sheets, " J. Appl. Phys., Vol. 95, 2004, pp. 5027-5034.
16. Zhigilei, L. V., Wei, C., and Srivastava, D., "Mesoscopic Model for Dynamic Simulations of Carbon Nanotubes, " Phys. Rev. B, Vol. 71, 2005, 165417.
17. Volkov, A. N., Simov, K. R., and Zhigilei, L. V., "Meso-Scopic Model for Simulation of CNT-based Materials, " Proc. ASME International Mechanical Engineering Congress and Exposition IMECE2008, October 31 - November 6, 2008, Boston, Massachusetts, USA, ASME Paper IMECE2008-68021.
18. Sreekumar, T. V., Liu, T., Kumar, S., Ericson, L. M., Hauge, R. H., and Smalley, R. E., "Single-Wall Carbon Nanotube Films, " Chem. Mater., Vol. 15, 2003, pp. 175-178.
19. Ma, W., Song, L., Yang, R., Zhang, T., Zhao, Y., Sun, L., Ren, Y., Liu, D., Liu, L., Shen, J., Zhang, Zh., Xiang, Y., Zhou, W., and Xie, S., "Directly Synthesized Strong, Highly Conducting, Transparent Single-Walled Carbon Nanotube Films, " Nanoletters, Vol. 7, 2007, pp. 2307-2311.
20. Poulin, P., Vigolo, B., and Launois, P., "Films and Fibers of Oriented Single Wall Nanotubes, " Carbon, Vol. 40, 2002, pp. 1741-1749.
21. Srivastava, D., and Lawson, J. W., "Formation and Structure of Amorphous Carbon Char from Polymer Materials, " Phys. Rev. B, Vol. 77, 2008, 144209.
22. Volkov, A. N., and Zhigilei, L. V., "Tubular Potential Method for Mesoscopic Simulation of Systems Composed of Carbon Nanotubes or Other Nano-/Micro-tubular Structural Elements, " (to be published).
23. Brenner, D. W., "Empirical Potential for Hydrocarbons for Use in Simulating the Chemical Vapor Deposition of Diamond Films, " Phys. Rev. B, Vol. 42, 1990, pp. 9458-9471.
24. Brenner, D. W., Shenderova, O. A., Harrison, J. A., Stuart, S. J., Ni, B., and Sinnott, S. B., "A Second-generation Reactive Empirical Bond Order (REBO) Potential Energy Expression for Hydrocarbons, " J. Phys. Cond. Matt., Vol. 14, 2002, pp. 783- 802.
25. Girifalco, L. A., Hodak, M., and Lee, R. S., "Carbon Nanotubes, Buckyballs, Ropes and a Universal Graphitic Potential, " Phys. Rev. B, Vol. 62, 2000, 13104.
26. Sun, C.-H., Yin, L.-C., Li, F., Lu, G.-Q., and Cheng, H.-M., "Van der Waals Interactions between Two Parallel Infinitely Long Single-walled Nanotubes, " Chem. Phys. Lett., Vol. 403, 2005, pp. 343-346.
27. Stuart, S. J., Tutein, A. B., and Harrison, J. A., "A Reactive Potential for Hydrocarbons with Intermolecular Interactions, " J. Chem. Phys., Vol. 112, 2002, pp. 6472-6486.
28. Yi, Y. B., Berhan, L., and Sastry, A. M., "Statistical Geometry of Random Fibrous Networks, Revisited: Waviness, Dimensionality, and Percolation, " J. Appl. Phys., Vol. 96, 2004, pp. 1318-1327.
29. Treacy, M. M. J., Ebbesen, T. W., and Gibson, J. M., "Exceptionally High Young's Modulus Observed for Individual Carbon Nanotubes, " Nature, Vol. 381, 1996, pp. 678-680.