Effect of interface modification on the mechanical behavior of carbon nanotube reinforced composites using parallel molecular dynamics simulations

CMES - Computer Modeling in Engineering and Sciences

Volumn 22, Issue 3, 2007, Pages 189-202

  Namilae, S ^a   Chandra, U ^b   Srinivasan, A ^c   Chandra, N ^d  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b FLORIDA A AND M UNIVERSITY   (United States)

^c Florida State University   (United States)

^d UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

Carbon nanotube composites; Interfaces; Parallel molecular dynamics

Indexed keywords

CARBON NANOTUBE COMPOSITES; INTERFACE MODIFICATION; PARALLEL MOLECULAR DYNAMICS; REACTIVE BONDS;

COMPUTER SIMULATION; INTERFACES (MATERIALS); MOLECULAR DYNAMICS; MOLECULAR INTERACTIONS; SURFACE TREATMENT; VAN DER WAALS FORCES;

CARBON NANOTUBES;

EID: 36448985671     PISSN: 15261492     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (37)

1. Ajayan, P.M.; Schadler, L.S.; Giannaris, C.; Rubio, A. (2000): Single-walled carbon nanotube-polymer composites: strength and weakness. Advanced Materials, 12,750.
2. Allaouia, A.; Baia, S.; Cheng, H.M.; Baia, J.B. (2002): Mechanical and electrical properties of a MWNT/epoxy composite, Composites Science and Technology, 62, 1993-1998.
3. Ananth, C.R.; Chandra, N. (1995): Numerical modeling of fiber pushout testing metallic ceramic and intermetallic matrix composites - Mechanics of the failure processes, Journal of Composite Materials, 29, 1488-1499.
4. Andrews, R.; Jacques, D.; Rao, A.M.; Rantell, T.; Derbyshire, F.; Chen, Y.; Chen, J.; Haddon, R.C. (1999): Nanotube composite carbon fibers, Applied Physics Letters, 75, 1329-1331.
5. Andrews, R.; Jacques, D.; Minot, M.; Rantell, T. (2002): Fabrication of carbon multiwalled nanotube/polymer composites by shear mixing, Macromolecular Materials and Engineering, 287, 395-400.
6. Bin, Y.; Kitanaka, M.; Zhu, D.; Matsuo, M. (2003): Development of highly oriented polyethylene filled with aligned carbon nanotubes by gelation /crystallization from Solutions, Macromolecules, 36, 6213-6219.
7. Brenner, D.W. (1991): Empirical potential for hydrocarbon for use in simulating the chemical vapor deposition of diamond films. Physical Review B, 42, 9458.
8. Brenner, D.W.; Shenderova, O.A.; Harrison, J.A.; Stuart, S.J.; Ni, B.; Sinnott, S.B. (2002): A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons, Journal of Physics-Condensed Matter, 14, 783-802.
9. Caglar, A.; Griebel, M. (2000): On the numerical simulation of Fullerene nanotubes: Cioo,ooo,ooo and beyond. Molecular dynamics on parallel computers, Editors: R. Esser, et. al., World Scientific.
10. Carman, G.P.; Averill, R.C.; Reifsnider, K.L.; Reddy, J.N. (1993): Optimization of Fiber Coatings to Minimize Stress-Concentrations In Composite-Materials, Journal of composite materials, 27, 589-606.
11. Chandra, N.; Namilae, S.; Shet, C. (2004): Local elastic properties of carbon nanotubes in the presence of Stone -Wales defects, Physical Review B, 69, 094101.
12. Chandra, N.; Li, H.; Shet, C.; Ghonem, H. (2002): Some issues in the application of cohesive zone models for metal ceramic interfaces, International Journal of Solids and Structures, 39, 2827-2835.
13. Chen, J.; Hamon, M.A.; Hu, H.; Chen, Y.; Rao, A.M.; Eklund, P.C.; Haddon, R.C. (1998): Solution properties of single-walled carbon nanotubes, Science, 282, 95-98.
14. Cooper, C.A.; Young, R.J.; Halsall, M. (2001): Investigation into the deformation of carbon nanotubes and their composites through the use of Raman spectroscopy, Composites: Part A, 32, 401-411.
15. Cooper, C.A.; Cohen, S.R.; Barber, A.H.; Wagner, H.D. (2002): Detachment of nanotubes from a polymer matrix. Applied Physics Letters, 81, 3873-3875.
16. Demczyk, B.G.; Wang, Y.M.; Cumings, J.; Hetman, M.; Han, W.; Zettl, A.; Ritchie, R.O. (2002): Materials Science and Engineering A, 334, 173-178.
17. Girifalco, L. A.; Hodak, M.; Lee, R. (2000): Carbon nanotubes, buckyballs, ropes, and a universal graphitic potential. Physical Review B, 62, 13104.
18. Gojny, F.H.; Wichmann, M.H.G.; Kopke, U.; Fiedler, B.; Schulte, K. (2004): Carbon nanotube-reinforced epoxy-composites: enhanced stiffness and fracture toughness at low nanotube content, Composites Science and Technology, 64, 2363-2371.
19. Gong, X.; Liu, J.; Baskaran, S.; Voise, R.D.; Young, J.S. (2001): Surfactant-assisted processing of carbon nanotube/polymer composites, Chemistry of Materials, 12, 1049-1052.
20. Jia, Z.; Wang, Z.; Xu, C.; Liang, J.; Wei, B.; Wu, D.; Zhu, S. (1999): Study on poly (methly methacrylate) carbon nanotube composites, Materials Science and Engineering A, 271, 395-400.
21. Khare, B.N.; Meyyappan, M.; Cassell, A.M.; Nguyen, C.V.; Han, J. (2002): Proton irradiation of carbon nanotubes, Nano letters, 2, 73-75.
22. Ling, X.; Atluri, S. N. (2006): A latticebased cell model for calculating thermal capacity and expansion of single wall carbon nanotubes, CMES: Computer Modeling in Engineering and Sciences, 14, 2, 91-100.
23. Ma, J.; Lu, H.; Wang ,B.; Hornung, R.; Wissink, A.; Komunduri, R. (2006): Multiscale simulation using Generalized Interpolation Material Point (GIMP) Method and Molecular Dynamics (MD), CMES: Computer Modeling in Engineering and Sciences, 14, 2, 101-118.
24. Michelson, E.T.; Huffman, C.B.; Rinzler, A.G.; Smalley, R.E.; Hauge, R.H.; Margrave, J.L. (1996): Fluorination of single-wall carbon nanotubes, Chemical Physics Letters, 296, 188-194.
25. Namilae, S.; Chandra, N. Role of atomic scale interfaces in the compressive behavior of carbon nanotubes in composites, Composite Science and Technology, (In Print).
26. Namilae, S.; Chandra, N.; Shet, C. (2004): Mechanical behavior of functionalized nanotubes, Chemical Physics Letters, 387, 247-252.
27. Namilae, S.; Chandra, N. (2005): Multiscale model to study the effect of interfaces in carbon nanotube based composites, Journal of Engineering materials and technology, 127, 222-232.
28. Park, J.Y.; Cho, Y-S.; Kim, S.Y.; Jun, S.; Im, S. (2006): A quasicontinuum method for deformations of carbon nanotubes, CMES: Computer Modeling in Engineering and Sciences, 11, 2, 61-72.
29. Pekker, S.; Salvetat, J.P.; Jakab, E.; Bonard, J.M.; Forro, L. (2001): Hydrogenation of Carbon Nanotubes and Graphite in Liquid Ammonia, Journal of Physical Chemistry B, 105, 7938-7943.
30. Paiva, M.C; Zhou, B.; Fernando, K.A.S.; Lin, Y.; Kennedy, J.M.; Sun, Y.P. (2004): Mechanical and morphological characterization of polymer-carbon nanocomposites from functionalized carbon nanotubes, Carbon 42, 2849-2854.
31. Qian, D.; Dickey, E.C.; Andrews, R.; Rantell, T. (2000): Load transfer and deformation mechanisms in carbon nanotube-polystyrene composites, Applied Physics letters, 76, 2868-2870.
32. Saito, R.; Dresselhaus, G.; Dresselhaus, M.S. (2001): Physical properties of carbon nanotubes, Imperial College Press.
33. Srivastava, D.; Barnard, S.T. (1997): Molecular dynamics simulation of large-scale Carbon nanotubes on shared-memory architecture, Proceedings of SC1997, IEEE.
34. Schadler, L.S.; Giannaris, S.C.; Ajayan, P.M. (1998): Load transfer in carbon nanotube epoxy composites, Applied Physics Letters, 73, 26, 3842-3844.
35. Tang, W.; Santare, M.H.; Advani, S.G. (2003): Melt processing and mechanical property characterization of multi-walled carbon nanotube/ high density polyethylene (MWNT/HDPE) composite films, Carbon, 41, 2779-2785.
36. Treacy, M.M.J.; Ebbesen, T.W.; Gibbson, J.M. (1996): Exceptionally high Young's modulus observed for individual carbon nanotubes, Nature, 381, 678-680.
37. Yakobson, B.I.; Brabec, C.J.; Bernholc, J. (1996): Nanomechanics of carbon tubes: Instabilities beyond linear response, Physical Review letters, 76, 2511-2514.