Tuning the Shear Modulus of Single-Walled Carbon Nanotube by Feeding Van Der Waals Molecules

Abstract:

Torsional buckling of single-walled carbon nanotubes filled with light weight molecular via molecular dynamics is reported. The model accounts for the deformation of CNTs, and interactions among gas molecules; between gas and carbon atoms. The effect of particle loading is predicted to significantly change CNT’s critical torsional moment and stiffness. This is therefore an approach by which the torsional mechanical properties and oscillation frequencies of carbon nanotubes may be tuned. Importantly, the predicted changes in torsional siffness are unique relative to conventional linear elastic materials and are indicative of nonlinear oscillations due to nonlinear mechanical effects. CNTs subjects to large deformations reversibly switch into different morphological patterns. Each shape change corresponds to an abrupt release of energy and a singularity in the stress-strain curve. At higher torsional angle, van der Waals (VDW: He, Ar, H₂) molecules reveal a stability effect on carbon nanotubes.

• Periodical: Key Engineering Materials (Volume 625)
• Pages: 722-727
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.625.722
• Online since: August 2014
• Authors: Bin Hao Chen*, Wen Hsuan Chao, Ren Jye Wu
• Keywords: NEMS, Shear Modulus, Single-Walled Carbon Nanotube, Torsion

References

[1] Hongjie D, Eric W, Charles M. Lieber, Probing Electrical Transport in Nanomaterials: Conductivity of Individual Carbon Nanotubes, Science 1996; 272(26): 523-526.

DOI: 10.1126/science.272.5261.523

[2] T. W Ebbesen, Annu. Rev Mater. Sci. 24 (1994) 235.

[3] Dillon A. C., Jones K. M., Bekkedahl T. A., Kiang C. H., Bethune D. S., Heben M. J. Storage of hydrogen in single-walled carbon nanotubes , Nature 1997; 386: 377-379.

DOI: 10.1038/386377a0

[4] Farida D and Dominique L, Monte Carlo simulations of hydrogen adsorption in single-walled carbon nanotubes, J. Chem. Phys. 1998; 109(12): 4981-4984.

DOI: 10.1063/1.477109

[5] T. W. Ebbesen, H. J. Lezec, H. Hiura, J. W Bennett, H. F Ghaemi, T. Thio. Electrical conductivity of individual carbon nanotubes. Nature 1996 ; 382(6586): 54-56.

DOI: 10.1038/382054a0

[6] M. M. Treacy, T. W. Ebbesen, J. M. Gibson. exceptionally high Young's modulus observed for individual carbon nanotubes. Nature 1996; 381(20): 678- 680.

DOI: 10.1038/381678a0

[7] B. I. Yakobson, C. J. Brabec, J. Bernholc. Nanomechanics of Carbon Tubes: Instabilities beyond Linear Response. Phys Rev Lett 1996; 76(14): 2511-2514.

DOI: 10.1103/physrevlett.76.2511

[8] C. L. Zhang, H. S. Shen. Buckling and postbuckling analysis of single-walled carbon nanotubes in thermal environments via molecular dynamics simulation. Carbon 2006; 44(13): 2608–2616.

DOI: 10.1016/j.carbon.2006.04.037

[9] C. Q. Ru. Elastic buckling of single-walled carbon nanotube ropes under high pressure. Phys Rev B 2000; 62(15): 10405-10408.

DOI: 10.1103/physrevb.62.10405

[10] Chen T. L., Liu B., Wu J., Huang Y, Jiang H., Hwang K. C., J. Mech. Phys. of Solid. 2008; 56: 3224-3241.

[11] L. Dai, Intelligent Macromolecules for Smart Devices: From Materials Synthesis to Device Applications, Springer-Verlag, Germany, 2004 (ISBN：1852335106 ).

[12] 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-Materials Science & Processing 1999, 69：255-260.

DOI: 10.1007/s003390050999

[13] P. Calvert. Nanotube composites: A recipe for strength. Nature 1999; 399(6733): 210-211.

DOI: 10.1038/20326

[14] Robert J. Chen, Yuegang Z, Dunwei W, Hongjie D, Noncovalent Sidewall Functionalization of Single-Walled Carbon Nanotubes for Protein Immobilization, J. Am. Chem. Soc. 2011; 123(16): 3838-3839.

DOI: 10.1021/ja010172b

[15] Collins P. G. and Avouris P., Nanotubes for electronics, Sci. Am. 283, pp.38-45, (2000).

[16] Chopra, N.G., Benedict, L.X., Crespi, V.H., Cohen, M.L., Louie, S.G., Zettl, A., Fully collapsed carbon nanotubes, Nature 1995; 377(6545): 135-138.

DOI: 10.1038/377135a0

[17] Min-Feng Yu, Tomasz Kowalewski, and Rodney S. Ruoff, Structural Analysis of Collapsed, and Twisted and Collapsed, Multiwalled Carbon Nanotubes by Atomic Force Microscopy, Phys. Rev. Lett. 2001; 86(1): 87-90.

DOI: 10.1103/physrevlett.86.87

[18] Zhang P. H. and Crespi V. H., Phys. Rev. Lett. 1999; 83: 1791-1794.

[19] Rotkin V. and Gogotsi Y., Analysis of non-planar graphitic structures: from arched edge planes of graphite crystals to nanotubes, Mater. Res. Innovations 2002; 5(5): 191-200.

DOI: 10.1007/s10019-001-0152-4

[20] Rappè A. K., Casewit C. J., Colwell K. S., Goddard W. A. III, Skiff W. M., UFF, UFF, a Full Periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations, J. Am. Chem. Soc. 1992; 114(25) : 10024-10035.

DOI: 10.1021/ja00051a040

[21] J. M. Haile, Molecular Dynamics Simulation: Elementary Methods, John Wiley and Sons, New York, 1992 (ISBN: 0471819662).

[22] Müller-Plathe, F., J Chem. Phys., 1997; 106: 6082-6085.

[23] Clifford W. Padgett and Donald W. Brenner, Influence of Chemisorption on the Thermal Conductivity of Single-Wall Carbon Nanotubes, Nano Lett., 2004; 4(6): 1051-1053.

DOI: 10.1021/nl049645d

[24] Mar´ıa J. L´opez, Angel Rubio, and Julio A. Alonso, Deformations and Thermal Stability of Carbon Nanotube Ropes, arXiv 2003; cond-mat/0303648v1.

[25] Gang Wu, Baowen Li, Thermal rectification in carbon nanotube intramolecular junctions: Molecular dynamics calculations, arXiv 2007; 0707. 4241v1.

[26] Chun-Hung Chen and Yung-Chun Lee, Contact printing for direct metallic pattern transfer based on pulsed infrared laser heating, J. Micromech. Microeng. 2007; 17: 1252-1256.

DOI: 10.1088/0960-1317/17/7/006

[27] Robert E.T., Donald W.N., Bobby G.S. and Ralph C.M., Dynamics of flow inside carbon nanotubes, Nanotechnology 1997; 8: 112.

[28] Y. Quo, N Karasawa and W. A. Goddard, Prediction of fullerene packing in C60 and C70 crystals, Nature 1991; 351: 464-467.

DOI: 10.1038/351464a0

[29] R. Richert and A. Blumen, Disorder Effects on Relaxational Processes: Glasses, Polymers, Proteins, Springer Berlin, New York, 1994(ID: 10549360).

DOI: 10.1007/978-3-642-78576-4

[30] P. M. Ajayan, L. S. Schadler, C. Giannaris and A. Rubio, Adv. Mater. 2000; 12: 750.

[31] A. Allaoui, S. Bai, H. M. Cheng and J. B. Bai, Compos. Mechanical and electrical properties of a MWNT/epoxy composite. Sci. Technol. 2002; 62(15): 1993-(1998).

DOI: 10.1016/s0266-3538(02)00129-x

[32] S. U. S. Choi1, Z. G. Zhang2, W. Yu1, F. E. Lockwood2, and E. A. Grulke. Anomalous thermal conductivity enhancement in nanotube suspensions. Appl. Phys. 2001; Lett. 79: 2252-2254.

DOI: 10.1063/1.1408272

[33] M. J. Biercuk1, M. C. Llaguno1, M. Radosavljevic1, J. K. Hyun1, A. T. Johnson1, and J. E. Fischer. Carbon nanotube composites for thermal management. Appl. Phys. 2002; Lett. 80.

[34] Byeong-Woo Jeong, Jang-Keun Lim, and Susan B. Sinnott, Torsional stiffening of carbon nanotube systems, Appl. Phys. Lett. 2007; 91(9): 093102-093104.

[35] H. Allen, P. Bulson. Background to Buckling. London: McGraw-Hill; (1980).

[36] S. Timoshenko,J. Gere. Theory of Elastic Stability. New York: McGraw-Hill; (1988).