Molecular dynamics simulation of carbon nanotube structure

Journal of Molecular Structure

Volumn 792-793, Issue , 2006, Pages 78-81

  Brodka A ^a   Koloczek J ^a   Burian, A ^a   Dore, J C ^b   Hannon, A C ^c   Fonseca, A ^d  

^a UNIVERSITY OF SILESIA   (Poland)

^b UNIVERSITY OF KENT   (United Kingdom)

^c RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^d UNIVERSITY OF NAMUR   (Belgium)

Author keywords

Empirical bond; Molecular dynamics; Powder diffraction patterns

Indexed keywords

CARBON; CATALYSTS; COMPUTER SIMULATION; MOLECULAR DYNAMICS; NEUTRONS; SYNTHESIS (CHEMICAL); VAPOR DEPOSITION; X RAY POWDER DIFFRACTION;

CORRELATION FUNCTION; EMPIRICAL BOND; POWDER DIFFRACTION PATTERNS; STONE-WALES DEFECTS;

CARBON NANOTUBES;

EID: 33745410119     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.01.055     Document Type: Article

References (20)

1. Hamada N., Sawada S., and Oshiyama A. Phys. Rev. Lett. 68 (1992) 1579
2. Saito R., Fujita M., Dresselhaus G., and Dresselhaus M.S. Appl. Phys. Lett. 60 (1992) 2204
3. Mintmire J.W., Dunlap B.I., and White C.T. Phys. Rev. Lett. 68 (1992) 631
4. Wildöer J.W., Venema L.C., Rinzler A.G., Smalley R.E., and Dekker C. Nature 391 (1998) 59
5. Odom T.W., Huang J.-L., Kim P., and Lieber C.M. Nature 391 (1998) 62
6. Motioux M. Carbon 40 (2002) 1809
7. Charlier J.-C. Acc. Chem. Res. 35 (2002) 1063
8. Lambin Ph., Mark G.I., and Brio L.P. Phys. Rev. B 67 (2003) 205413
9. Kołoczek J., Burian A., Dore J.C., and Hannon A.C. Diam. Relat. Mater. 13 (2004) 1218
10. Burian A., Kołoczek J., Dore J.C., Hannon A.C., Nagy J.B., and Fonseca A. Diam. Relat. Mater. 13 (2004) 1261
11. A. Burian, A. Bródka, J. Kołoczek, J.C. Dore, A.C. Hannon, A. Fonseca, Diam. Relat. Mater., in press.
12. Colomer J.-F., Stephan C., Lefrant S., Van Tendeloo G., Willems I., Kónya Z., Fonseca A., Laurent Ch., and Nagy J.B. Chem. Phys. Lett. 317 (2000) 83
13. Hannon A.C. In: Lindon J., Tranter G., and Holmes J. (Eds). Instrumentation Encyclopaedia of Spectroscopy and Spectrometry (2000), Academic Press, London 1479-1492
14. Hannon A.C. In: Lindon J., Tranter G., and Holmes J. (Eds). Instrumentation Encyclopaedia of Spectroscopy and Spectrometry (2000), Academic Press, London 1493-1503
15. A.K. Soper, W.S Howells, A.C. Hannon, Report PAL-89-046, Rutherford Appleton Laboratory, May, 1989.
16. Brenner D.W., Shenderova O.A., Harrison J.A., Stuart S.J., Boris N., and Sinnott S.B. J. Phys.: Condens. Matter. 14 (2002) 783
17. Brenner D.W. Phys. Rev. B 42 (1990) 9458
18. Girifalco L.A., Hodak M., and Lee R.S. Phys. Rev. B 62 (2000) 13104
19. Allen M.P., and Tildesley D.J. Computer Simulation of Liquids (1989), Clarendon Press, Oxford
20. Berendsen H.J.C., Postma J.P.M., van Gunsteren W.F., Di Nola A., and Haak J.R. J. Chem. Phys. 81 (1984) 3684