Improved long-range reactive bond-order potential for carbon. II. Molecular simulation of liquid carbon

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 21, 2005, Pages

  Ghiringhelli, Luca M ^a   Los, Jan H ^b   Fasolino, A ^a,b   Meijer, Evert Jan ^a  

^a UNIVERSITY OF AMSTERDAM   (Netherlands)

^b RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 29744452840     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.214103     Document Type: Article

References (34)

1. J. H. Los, L. M. Ghiringhelli, E. J. Meijer, and A. Fasolino, preceding paper, Phys. Rev. B PRBMDO 0163-1829 72, 214102 (2005).
2. D. W. Brenner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.42.9458 42, 9458 (E) (1990);
3. D. W. Brenner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.1948.2 46, 1948 (1992).
4. D. W. Brenner, J. H. Harrison, C. T. White, and R. J. Colton, Thin Solid Films THSFAP 0040-6090 10.1016/0040-6090(91)90425-W 206, 220 (1991).
5. D. W. Brenner, O. A. Shenderova, J. A. Harrison, S. J. Stuart, B. Ni, and S. B. Sinnott, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/ 4/312 14, 783 (2002).
6. J. H. Los and A. Fasolino, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.024107 68, 024107 (2003).
7. A. Ferraz and N. H. March, Phys. Chem. Liq. PCLQAC 0031-9104 8, 289 (1979).
8. M. van Thiel and F. H. Ree, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48.3591 48, 3591 (1993).
9. J. N. Glosli and F. H. Ree, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.4659 82, 4659 (1999).
10. L. M. Ghiringhelli, Ph.D. thesis,
11. C. J. Wu, J. N. Glosli, G. Galli, and F. H. Ree, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.135701 89, 135701 (2002).
12. L. M. Ghiringhelli, J. H. Los, E. J. Meijer, A. Fasolino, and D. Frenkel, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.100101 69, 100101 (R) (2004).
13. S. J. Stuart, A. B. Tutein, and J. A. Harrison, J. Phys. Chem. JPCHAX 0022-3654 14, 6472 (2000).
14. O. Kum, F. H. Ree, S. J. Stuart, and C. J. Wu, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1601216 119, 6053 (2003).
15. L. M. Ghiringhelli, J. H. Los, E. J. Meijer, A. Fasolino, and D. Frenkel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.145701 94, 145701 (2005).
16. R. Car and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.2471 214103
17. A. D. Becke, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988).
18. J. P. Perdew, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.33.8822 33, 8822 (1986);
19. J. P. Perdew, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.34.7406 34, 7406 (E) (1986).
20. N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991).
21. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425 48, 1425 (1982).
22. W. G. Hoover, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.31.1695 31, 1695 (1985).
23. P. E. Blöchl and M. Parrinello, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.9413 45, 9413 (1992).
24. D. Marx and J. Hutter, in Modern Methods and Algorithms of Quantum Chemistry Proceedings, Second Edition, edited by, J. Grotendorst, (Forschungszentrum Jülich, Jülich, Germany 2000), it can be found at http://www.fz-juelich.de/nic-series/.
25. P. Dacosta, O. H. Nielsen, and K. Kunc, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/19/17/012 19, 3163 (1986).
26. O. Mishima and H. E. Stanley, Nature (London) NATUAS 0028-0836 10.1038/24540 (London) 396, 329 (1998).
27. H. E. Stanley, S. V. Buldyrev, M. Canpolat, O. Mishima, M. R. Sadr-Lahijany, A. Scala, and F. W. Starr, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b000058m 2, 1551 (2000).
28. G. Franzese, G. Malescio, A. Skibinsky, S. Buldyrev, and H. Stanley, Nature (London) NATUAS 0028-0836 10.1038/35055514 (London) 409, 692 (2001).
29. N. A. Marks, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/308 14, 2901 (2002).
30. N. A. Marks, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.035401 63, 035401 (2001).
31. A. Harada, F. Shimojo, and K. Hoshino, J. Non-Cryst. Solids JNCSBJ 0022-3093 74, 2017 (2005) and private communication.
32. J. R. Morris, C. Z. Wang, and K. M. Ho, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.4138 52, 4138 (1995).
33. J. Kōga, H. Okumura, K. Nishio, T. Yamaguchi, and F. Yonezawa, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.064211 66, 064211 (2002).
34. G. Galli, R. M. Martin, R. Car, and M. Parrinello, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.42.7470 42, 7470 (1990).