On radial breathing vibration of carbon nanotubes

Computer Methods in Applied Mechanics and Engineering

Volumn 199, Issue 45-48, 2010, Pages 2820-2827

  Cheng, Hsien Chie ^a   Liu, Yang Lun ^b   Wu, Chun Hung ^b   Chen, Wen Hwa ^b  

^a FENG CHIA UNIVERSITY   (Taiwan)

^b NATIONAL TSING HUA UNIVERSITY   (Taiwan)

Author keywords

Carbon nanotubes; Molecular structural mechanics; Radial breathing mode; Temperature effect

Indexed keywords

ATOMIC CONFIGURATION; ATOMIC STRUCTURE; AXISYMMETRIC; EXPERIMENTAL DATA; LARGE DIAMETER; LAYER NUMBER; MODE SHAPES; MOLECULAR STRUCTURAL MECHANICS; RADIAL BREATHING; RADIAL BREATHING MODE; SIGNIFICANT IMPACTS; SIMULATION RESULT; TEMPERATURE EFFECT;

CARBON NANOTUBES; MECHANICS; STEREOCHEMISTRY; TEMPERATURE;

ASPECT RATIO;

EID: 78549261033     PISSN: 00457825     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cma.2010.05.003     Document Type: Article

References (29)

1. Badger R.M. A relation between internuclear distances and bond force constants. J. Chem. Phys. 1934, 2:128-131.
2. Batra R.C., Gupta S.S. Wall thickness and radial breathing modes of single-walled carbon nanotubes. Journal of Applied Mechanics, Transactions of the ASME 2008, 75:061010.
3. Brenner D.W. Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films. Phys. Rev. B 1990, 42:9458-9471.
4. Chang T.C., Gao H.J. Size-dependent elastic properties of a single-walled carbon nanotube via a molecular mechanics model. Journal of the Mechanics and Physics of Solids 2003, 51:1059-1074.
5. Chen W.H., Cheng H.C., Liu Y.L. Radial mechanical properties of single-walled carbon nanotubes using modified molecular structure mechanics. Comput. Mater. Sci. 2010, 47:985-993.
6. Cheng H.C., Liu Y.L., Hsu Y.C., Chen W.H. Atomistic-continuum modeling for mechanical properties of single-walled carbon nanotubes. Int. J. Solid Struct. 2009, 46:1695-1704.
7. Cornell W.D., Cieplak P., Bayly C.I., Gould I.R., Merz K.M., Ferguson D.M., Spellmeyer D.C., Fox T., Caldwell J.W., Kollman P.A. A second generation force field for the simulation of proteins, nucleic acids, and organic molecules. Journal of the American Chemical Society 1995, 117:5179-5197.
8. Damnjanović M., Dobardžić E., Miloŝević I. Chirality dependence of the radial breathing mode: a simple model. J. Phys.: Condensed Matter 2004, 16:L505-L508.
9. Dobardžić E., Milošević I., Nikolić B., Vuković T., Damnjanović M. Single-wall carbon nanotubes phonon spectra: symmetry-based calculations. Phys. Rev. B 2003, 68:045408.
10. Dresselhaus M.S., Dresselhaus G., Saitoc R., Joriod A. Raman spectroscopy of carbon nanotubes. Phys. Rep. 2005, 409:47-99.
11. Evans D.J., Holian B.L. The Nose-Hoover thermostat. J. Chem. Phys. 1985, 83:4069.
12. Souza Filho A.G., Chou S.G., Samsonidze Ge.G., Dresselhaus G., Dresselhaus M.S., An Lei, Liu J., Swan Anna K., Ünlü M.S., Goldberg B.B., Jorio A., Grüneis A., Saito R. Stokes and anti-Stokes Raman spectra of small diameter isolated carbon nanotubes. Phys. Rev. B 2004, 69:115428.
13. Goupalov S.V. Chirality dependence of the Raman cross section of carbon nanotubes. Phys. Rev. B 2005, 71:153404.
14. Gupta S.S., Batra R.C. Continuum structures equivalent in normal mode vibrations to single-walled continuum structures. Computational Materials Science 2008, 43:715-723.
15. Hoover W.G. Canonical dynamics: equilibrium phase-space distributions. Phys. Rev. A 1985, 31:1695.
16. Jiang H., Liu B., Huang Y., Hwang K.C. Thermal expansion of single-wall carbon nanotubes. J. Engrg. Mater. Technol. 2004, 126:265-270.
17. Jorio A., Saito R., Hafner J.H., Lieber C.M., Hunter M., McClure T., Dresselhaus G., Dresselhaus M.S. Structural (n,m) determination of isolated single-wall carbon nanotubes by resonant Raman scattering. Phys. Rev. Lett. 2001, 86:1118-1121.
18. Kürti J., Zólyomi V., Kertesz M., Sun G.Y. The geometry and the radial breathing mode of carbon nanotubes: beyond the ideal behaviour. New J. Phys. 2003, 5:125.1-125.12.
19. Kürti J., Kresse G., Kuzmany H. First-principles calculations of the radial breathing mode of single-wall carbon nanotubes. Phys. Rev. B 1998, 58:8869-8872.
20. Li C.Y., Chou T.W. A structural mechanics approach for the analysis of carbon nanotubes. Int. J. Solid Struct. 2003, 40:2487-2499.
21. Li C.Y., Chou T.W. Elastic moduli of multi-walled carbon nanotubes and the effect of van der Waals forces. Composites Sci. Technol. 2003, 63:1517-1524.
22. Li Q.M., Shi M.X. Intermittent transformation between radial breathing and flexural vibration mode in a single-walled carbon nanotube. Proc. Roy. Soc. A 2008, 464:1941-1953.
23. Liu H.J., Chan C.T. Properties of 4Å carbon nanotubes from first-principles calculations. Phys. Rev. B 2002, 66:115416.
24. Maultzsch J., Telg H., Reich S., Thomsen C. Radial breathing mode of single-walled carbon nanotubes: optical transition energies and chiral-index assignment. Phys. Rev. B 2005, 72:205438.
25. Milnera M., Kürti J., Hulman M., Kuzmany H. Periodic resonance excitation and intertube interaction from quasicontinuous distributed helicities in single-wall carbon nanotubes. Phys. Rev. Lett. 2000, 84:1324-1327.
26. Mohr M., Machón M., Thomsen C., Milošević I., Damnjanović M. Mixing of the fully symmetric vibrational modes in carbon nanotubes. Phys. Rev. B 2007, 75:195401.
27. Nosé S. A molecular dynamics method for simulation in the canonical ensemble. Molecular phys. 1984, 52:255.
28. Raravikar Nachiket R., Rao Keblinski Pawel, Apparao M., Dresselhaus Mildred S., Schadler Linda S., Ajayan Pulickel M. Temperature dependence of radial breathing mode Raman frequency of single-walled carbon nanotubes. Phys. Rev. B 2002, 66:235424.
29. Zhang Y.C., Chen X., Wang X. Effect of temperature on mechanical properties of multi-walled carbon nanotubes. Composite Sci. Technol. 2008, 68:572.