Molecular dynamics study of structure and graphitization process of nanodiamonds

Journal of Molecular Structure

Volumn 887, Issue 1-3, 2008, Pages 34-40

  Brodka A ^a   Hawelek L ^a   Burian, A ^a   Tomita, S ^b   Honkimaki V ^c  

^a UNIVERSITY OF SILESIA   (Poland)

^b NARA INSTITUTE OF SCIENCE AND TECHNOLOGY   (Japan)

^c EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

Author keywords

Graphitization; Molecular dynamics simulation; Nanodiamonds

Indexed keywords

ATOMIC PHYSICS; ATOMS; CARBON; CARBON NANOTUBES; DIAMONDS; GRAPHITE; GRAPHITIZATION; MOLECULAR DYNAMICS; NANOSTRUCTURED MATERIALS; QUANTUM CHEMISTRY; X RAY DIFFRACTION;

GRAPHITIZATION PROCESS; MOLECULAR DYNAMICS SIMULATION; NANODIAMONDS;

SURFACE STRUCTURE;

ALLIUM CEPA;

EID: 51249099783     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.01.055     Document Type: Article

References (33)

1. Kuznetsov V.L., Chuvilin A.L., Butenko Y.V., Malkov I.Y., and Titov V.M. Chem. Phys. Lett. 222 (1994) 343
2. Butenko Yu.V., Kuznetsov V.L., Chuvilin A.L., Kolomiichuk V.N., Stankus S.V., Khairulin R.A., and Segall B. J. Appl. Phys. 88 (2000) 4380
3. Tomita S., Fujii M., Hayashi S., and Yamamoto K. Chem. Phys. Lett. 305 (1999) 225
4. Tomita S., Sakurai T., Ohta H., Fujii M., and Hayashi S. J. Chem. Phys. 114 (2001) 7477
5. Tomita S., Burian A., Dore J.C., LeBolloch D., Fujii M., and Hayashi S. Carbon 40 (2002) 1469
6. Xu N.S., Chen J., and Deng S.Z. Diam. Rel. Mat. 11 (2002) 249
7. Qiao Z., Li J., Zhao N., Shi C., and Nash P. Scripta Mat. 54 (2006) 225
8. Mykhaylyk O.O., Solonin Y.M., Batchelder D.N., and Brydson R. J. Appl. Phys. 97 (2005) 074302
9. Pałosz B., Grzanka E., Gierlotka S., Stel'makh S., Pielaszek R., Bismayer U., Neuefeind J., Weber H.-P., Proffen Th., Von Dreele R., and Pałosz W. Z. Kristallogr. 217 (2002) 497
10. Pałosz B., Pantea C., Grzanka E., Stelmakh S., Proffen T., Zerda T.W., and Pałosz W. Diam. Relt. Mater. 15 (2006) 1813
11. Qiao Z., Li J.L., Zhao N., Shi C., and Nash P. Chem. Phys. Lett. 429 (2006) 479
12. Qian J., Pantea C., Huang J., Zerda T.W., and Zhao Y. Carbon 42 (2004) 2691
13. Pałosz B., Grzanka E., Pantea C., Zerda T.W., Wang Y., Gubicza J., and Ungar T. J. Appl. Phys. 97 (2005) 064316
14. Raty J.Y., Galli G., Bostedt C., van Buuren T.W., and Terminello L.J. Phys. Rev. Lett. 90 (2003) 037401
15. Barnard A.S., Russo S.P., and Snook I.K. Int. J. Mod. Phys. B 21 (2003) 3865
16. Barnard A.S., Russo S.P., and Snook I.K. Diam. Relat. Mater. 12 (2003) 1867
17. Barnard A.S., Russo S.P., and Snook I.K. J. Chem. Phys. 118 (2003) 5094
18. Kuznetsov V.L., Zilberberg I.L., Butenko Y.V., and Chuvilin A.L. J. Appl. Phys. 86 (1999) 863
19. De Vita A., Galli G., Canning A., and Car R. Appl. Surf. Sci. 104/105 (1996) 297
20. Kern G., and Hafner J. Phys. Rev. B 58 (1998) 13167
21. Wang C.Z., Ho K.M., Shirk M.D., and Molian P.A. Phys. Rev. Lett. 85 (2000) 4092
22. Fugaciu F., Herman H., and Deifert G. Phys. Rev. B 60 (1999) 10711
23. Tersoff J. Phys. Rev. Lett. 61 (1988) 2879
24. Saada D., Adler J., and Kalish R. Phys. Rev. B 59 (1999) 6650
25. Brenner D.W., Shenderova O.A., Harrison J.A., Stuart S.J., Ni B., and Sinnott S.B. J. Phys.: Condens. Matter 14 (2002) 783
26. Bródka A., Zerda T.W., and Burian A. Diam. Relat. Mater. 15 (2006) 1818
27. Poulsen H.P., Neuefeind J., Neumann H.B., Schneider J.R., and Zeidler M.D. J. Non-Cryst. Solids 188 (1995) 63
28. Schlenz H., Neuefeind J., and Rings S. J. Phys.: Condens. Matter 15 (2003) 4919
29. Hawelek L., Koloczek J., Burian A., Dore J.C., Honkimaki V., and Kyotani T. J. Alloys Compd. 401 (2005) 51
30. Brenner D.W. Phys. Rev. B 42 (1990) 9458
31. Allen M.P., and Tildesley D.J. Computer Simulation of Liquids (1989), Clarendon Press, Oxford
32. 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
33. Mitchell G.M. Acta Cryst. A 37 (1981) 488