Determination of structural transitions of atomic clusters from local and global bond orientational order parameters

Journal of Chemical Physics

Volumn 127, Issue 14, 2007, Pages

  Zhan, Lixin ^a   Chen, Jeff Z Y ^a   Liu, Wing Ki ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BOND STRENGTH (CHEMICAL); MOLECULAR MODELING; MOLECULAR ORIENTATION; PARAMETER ESTIMATION; THERMAL EFFECTS;

ATOMIC CLUSTERS; LENNARD-JONES CLUSTERS; MACKAY OVERLAYERS; STRUCTURAL TRANSITIONS;

MOLECULAR STRUCTURE;

EID: 35348881150     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2794032     Document Type: Article

References (26)

1. F. Baletto and R. Ferrando, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys.77.371 77, 371 (2005).
2. D. J. Wales, Energy Landscapes (Cambridge University Press, Cambridge, 2003).
3. J. A. Northby, J. Chem. Phys. 0021-9606 10.1063/1.453492 87, 6166 (1987).
4. R. H. Leary, J. Global Optim. 0925-5001 10.1023/A:1008276425464 11, 35 (1997); D. Romero, C. Barron, and S. Gomez, Comput. Phys. Commun. 0010-4655 10.1016/S0010-4655(99)00259-3 123, 87 (1999); Y. Xiang, H. Jiang, W. Cai, and X. Shao, J. Phys. Chem. A 1089-5639 10.1021/jp037780t 108, 3586 (2004); Y. Xiang, L. Cheng, and X. Shao, J. Phys. Chem. A 1089-5639 10.1021/jp047807o 108, 9516 (2004); X. Shao, Y. Xiang, and W. Cai, J. Phys. Chem. A 109, 5193 (2005).
5. R. H. Leary, J. Global Optim. 0925-5001 10.1023/A:1008276425464 11, 35 (1997); D. Romero, C. Barron, and S. Gomez, Comput. Phys. Commun. 0010-4655 10.1016/S0010-4655(99)00259-3 123, 87 (1999); Y. Xiang, H. Jiang, W. Cai, and X. Shao, J. Phys. Chem. A 1089-5639 10.1021/jp037780t 108, 3586 (2004); Y. Xiang, L. Cheng, and X. Shao, J. Phys. Chem. A 1089-5639 10.1021/jp047807o 108, 9516 (2004); X. Shao, Y. Xiang, and W. Cai, J. Phys. Chem. A 109, 5193 (2005).
6. R. H. Leary, J. Global Optim. 0925-5001 10.1023/A:1008276425464 11, 35 (1997); D. Romero, C. Barron, and S. Gomez, Comput. Phys. Commun. 0010-4655 10.1016/S0010-4655(99)00259-3 123, 87 (1999); Y. Xiang, H. Jiang, W. Cai, and X. Shao, J. Phys. Chem. A 1089-5639 10.1021/jp037780t 108, 3586 (2004); Y. Xiang, L. Cheng, and X. Shao, J. Phys. Chem. A 1089-5639 10.1021/jp047807o 108, 9516 (2004); X. Shao, Y. Xiang, and W. Cai, J. Phys. Chem. A 109, 5193 (2005).
7. R. H. Leary, J. Global Optim. 0925-5001 10.1023/A:1008276425464 11, 35 (1997); D. Romero, C. Barron, and S. Gomez, Comput. Phys. Commun. 0010-4655 10.1016/S0010-4655(99)00259-3 123, 87 (1999); Y. Xiang, H. Jiang, W. Cai, and X. Shao, J. Phys. Chem. A 1089-5639 10.1021/jp037780t 108, 3586 (2004); Y. Xiang, L. Cheng, and X. Shao, J. Phys. Chem. A 1089-5639 10.1021/jp047807o 108, 9516 (2004); X. Shao, Y. Xiang, and W. Cai, J. Phys. Chem. A 109, 5193 (2005).
8. R. H. Leary, J. Global Optim. 0925-5001 10.1023/A:1008276425464 11, 35 (1997); D. Romero, C. Barron, and S. Gomez, Comput. Phys. Commun. 0010-4655 10.1016/S0010-4655(99)00259-3 123, 87 (1999); Y. Xiang, H. Jiang, W. Cai, and X. Shao, J. Phys. Chem. A 1089-5639 10.1021/jp037780t 108, 3586 (2004); Y. Xiang, L. Cheng, and X. Shao, J. Phys. Chem. A 1089-5639 10.1021/jp047807o 108, 9516 (2004); X. Shao, Y. Xiang, and W. Cai, J. Phys. Chem. A 109, 5193 (2005).
9. D. J. Wales and T. V. Bogdan, J. Phys. Chem. B 1089-5647 10.1021/jp0680544 110, 20765 (2006).
10. J. P. Neirotti, F. Calvo, D. L. Freeman, and J. D. Doll, J. Chem. Phys. 0021-9606 10.1063/1.481671 112, 10340 (2000); F. Calvo, J. P. Neirotti, D. L. Freeman, and J. D. Doll, J. Chem. Phys. 112, 10350 (2000).
11. J. P. Neirotti, F. Calvo, D. L. Freeman, and J. D. Doll, J. Chem. Phys. 0021-9606 10.1063/1.481671 112, 10340 (2000); F. Calvo, J. P. Neirotti, D. L. Freeman, and J. D. Doll, J. Chem. Phys. 112, 10350 (2000).
12. V. A. Mandelshtam, P. A. Frantsuzov, and F. Calvo, J. Phys. Chem. A 1089-5639 10.1021/jp055839l 110, 5326 (2006).
13. V. A. Sharapov, D. Meluzzi, and V. A. Mandelshtam, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.98.105701 98, 105701 (2007).
14. V. A. Mandelshtam and P. A. Frantsuzov, J. Chem. Phys. 0021-9606 10.1063/1.2202312 124, 204511 (2006).
15. J. P. K. Doye, D. J. Wales, and M. A. Miller, J. Chem. Phys. 0021-9606 10.1063/1.477477 109, 8143 (1998).
16. J. P. K. Doye and F. Calvo, J. Chem. Phys. 0021-9606 10.1063/1.1469616 116, 8307 (2002).
17. P. J. Steinhardt, D. R. Nelson, and M. Ronchetti, Phys. Rev. B 0163-1829 10.1103/PhysRevB.28.784 28, 784 (1983).
18. P. A. Frantsuzov, D. Meluzzi, and V. A. Mandelshtam, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.96.113401 96, 113401 (2006).
19. The Cambridge Cluster Database (CCD), http://www-wales.ch.cam.ac.uk/CCD. html.
20. C. Chakravarty, Mol. Phys. 0026-8976 10.1080/00268970210164428 100, 3777 (2002).
21. J. S. van Duijneveldt and D. Frenkel, J. Chem. Phys. 0021-9606 10.1063/1.462802 96, 4655 (1992).
22. P. A. Frantsuzov and V. A. Mandelshtam, Phys. Rev. E 1063-651X 10.1103/PhysRevE.72.037102 72, 037102 (2005).
23. E. Marinari, G. Parisi, and J. J. Ruiz-Lorenzo, Spin Glasses and Random Fields, edited by, A. P. Young, (World Scientific, Singapore, 1988); K. Hukushima and K. Nemoto, J. Phys. Soc. Jpn. 0031-9015 10.1143/JPSJ.65.1604 65, 1604 (1996); R. H. Swendsen and J. -S. Wang, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.57.2607 57, 2607 (1986).
24. E. Marinari, G. Parisi, and J. J. Ruiz-Lorenzo, Spin Glasses and Random Fields, edited by, A. P. Young, (World Scientific, Singapore, 1988); K. Hukushima and K. Nemoto, J. Phys. Soc. Jpn. 0031-9015 10.1143/JPSJ.65.1604 65, 1604 (1996); R. H. Swendsen and J. -S. Wang, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.57.2607 57, 2607 (1986).
25. E. Marinari, G. Parisi, and J. J. Ruiz-Lorenzo, Spin Glasses and Random Fields, edited by, A. P. Young, (World Scientific, Singapore, 1988); K. Hukushima and K. Nemoto, J. Phys. Soc. Jpn. 0031-9015 10.1143/JPSJ.65.1604 65, 1604 (1996); R. H. Swendsen and J. -S. Wang, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.57.2607 57, 2607 (1986).
26. R. H. Leary and J. P. K. Doye, Phys. Rev. E 1063-651X 10.1103/PhysRevE.60.R6320 60, R6320 (1999).