Comparative study of cluster Ag17Cu2 by instantaneous normal mode analysis and by isothermal Brownian-type molecular dynamics simulation

Journal of Chemical Physics

Volumn 135, Issue 9, 2011, Pages

  Tang, Ping Han ^a   Wu, Ten Ming ^a   Yen, Tsung Wen ^b   Lai, S K ^b,c   Hsu, P J ^b,c  

^a NATIONAL CHIAO TUNG UNIVERSITY   (Taiwan)

^b NATIONAL CENTRAL UNIVERSITY   (Taiwan)

^c ACADEMIA SINICA   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER DYNAMICS; COMPARATIVE STUDIES; ENSEMBLE AVERAGES; INSTANTANEOUS NORMAL MODES; INTEGRATED VALUES; METALLIC CLUSTERS; MOLECULAR DYNAMICS SIMULATIONS; POINT GROUP SYMMETRY; PROJECTION OPERATOR; SIMULATION DATA; TEMPERATURE DEPENDENCE; TEMPERATURE RANGE; TEMPERATURE VARIATION; VELOCITY AUTOCORRELATION FUNCTIONS;

DYNAMICS; POWER SPECTRAL DENSITY; REGRESSION ANALYSIS; SPECIFIC HEAT; SPECTRAL DENSITY; TEMPERATURE DISTRIBUTION;

MOLECULAR DYNAMICS;

EID: 80052808362     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3628669     Document Type: Article

References (56)

1. P. J. Hsu and S. K. Lai, J. Chem. Phys. 124, 044711 (2006). 10.1063/1.2147159 (Pubitemid 43166357)
2. G. Rossi, A. Rapallo, C. Mottet, A. Fortunelli, F. Baletto, and R. Ferrando, Phys. Rev. Lett. 93, 105503 (2004). 10.1103/PhysRevLett.93.105503
3. A. Rapallo, G. Rossi, R. Ferrando, A. Fortunelli, B. C. Curley, L. D. Lloyd, G. M. Tarbuck, and R. L. Johnston, J. Chem. Phys. 122, 194308 (2005). 10.1063/1.1898223 (Pubitemid 40914315)
4. T.-W. Yen, P. J. Hsu, and S. K. Lai, e-J. Surf. Sci. Nanotechnol. 7, 149 (2009). 10.1380/ejssnt.2009.149
5. R. M. Stratt, Acc. Chem. Res. 28, 201 (1995). 10.1021/ar00053a001
6. T. Keyes, J. Phys. Chem. A 101, 2921 (1997). 10.1021/jp963706h
7. B. Madan, T. Keyes, and G. Seeley, J. Chem. Phys. 92, 7565 (1990). 10.1063/1.458192
8. T. M. Wu and R. F. Loring, J. Chem. Phys. 97, 8568 (1992); 10.1063/1.463375
9. Y. Wan and R. M. Stratt, J. Chem. Phys. 100, 5123 (1994). 10.1063/1.467178
10. S. D. Bembenek and B. B. Laird, Phys. Rev. Lett. 74, 936 (1995); 10.1103/PhysRevLett.74.936
11. S. D. Bembenek and B. B. Laird, J. Chem. Phys. 104, 5199 (1996). 10.1063/1.471147
12. R. Schulz, M. Krishnan, I. Daidone, and J. C. Smith, Biophys. J. 96, 476 (2009); 10.1016/j.bpj.2008.10.007
13. C. Peng, L. Zhang, and T. Head-Gordon, Biophys. J. 98, 2356 (2010). 10.1016/j.bpj.2010.01.044
14. D. J. Wales, Energy Landscapes, With Applications to Clusters, Biomolecules and Glasses (Cambridge University Press, Cambridge, England, 2003).
15. D. J. Wales and T. V. Bogdan, J. Phys. Chem. B 110, 20765 (2006). 10.1021/jp0680544 (Pubitemid 44797331)
16. J. E. Adams and R. M. Stratt, J. Chem. Phys. 93, 1332 (1990). 10.1063/1.459145
17. J. E. Adams and R. M. Stratt, J. Chem. Phys. 93, 1358 (1990). 10.1063/1.459146
18. J. E. Adams and R. M. Stratt, J. Chem. Phys. 93, 1632 (1990). 10.1063/1.459091
19. F. H. Stillinger and T. A. Weber, Science 225, 983 (1984). 10.1126/science.225.4666.983
20. F. H. Stillinger and T. A. Weber, Phys. Rev. A 25, 978 (1982); 10.1103/PhysRevA.25.978
21. F. H. Stillinger and T. A. Weber, Phys. Rev. A 28, 2408 (1983). 10.1103/PhysRevA.28.2408
22. G. Natanson, F. Amar, and R. S. Berry, J. Chem. Phys. 78, 399 (1983); 10.1063/1.444515
23. R. S. Berry, J. Jellinek, and G. Natanson, Phys. Rev. A 30, 919 (1984). 10.1103/PhysRevA.30.919
24. F. G. Amar and R. S. Berry, J. Chem. Phys. 85, 5943 (1986). 10.1063/1.451506
25. J. Jellinek, T. L. Beck, and R. S. Berry, J. Chem. Phys. 84, 2783 (1986). 10.1063/1.450303
26. T. L. Beck, J. Jellinek, and R. S. Berry, J. Chem. Phys. 87, 545 (1987). 10.1063/1.453602
27. H. L. Davis, J. Jellinek, and R. S. Berry, J. Chem. Phys. 86, 6456 (1987). 10.1063/1.452436
28. T. L. Beck and R. S. Berry, J. Chem. Phys. 88, 3910 (1988). 10.1063/1.453840
29. T. L. Beck, D. M. Leitner, and R. S. Berry, J. Chem. Phys. 89, 1681 (1988). 10.1063/1.455114
30. R. S. Berry and D. J. Wales, Phys. Rev. Lett. 63, 1156 (1989). 10.1103/PhysRevLett.63.1156
31. D. J. Wales and R. S. Berry, J. Chem. Phys. 92, 4473 (1990). 10.1063/1.457758
32. D. J. Wales and R. S. Berry, J. Chem. Phys. 92, 4283 (1990). 10.1063/1.457788
33. D. J. Wales and R. S. Berry, Phys. Rev. Lett. 73, 2785 (1994). 10.1103/PhysRevLett.73.2875
34. S. K. Lai, W. D. Lin, K. L. Wu, W. H. Li, and K. C. Lee, J. Chem. Phys. 121, 1487 (2004). 10.1063/1.1763144
35. T.-W. Yen, S. K. Lai, N. Jakse, and J. L. Bretonnet, Phys. Rev. B 75, 165420 (2007). 10.1103/PhysRevB.75.165420
36. P. J. Hsu, J. S. Luo, S. K. Lai, J. F. Wax, and J. L. Bretonnet, J. Chem. Phys. 129, 194302 (2008). 10.1063/1.3009194
37. R. P. Gupta, Phys. Rev. B 23, 6265 (1981). 10.1103/PhysRevB.23.6265
38. C. Mottet, G. Treglia, and B. Legrand, Phys. Rev. B 46, 16018 (1992). 10.1103/PhysRevB.46.16018
39. D. A. McQuarrie, Statistical Mechanics (Harper Row, New York, 1976).
40. R. E. Larsen, G. Goodyear, and R. M. Stratt, J. Chem. Phys. 104, 2987 (1996). 10.1063/1.471120
41. M. Page and J. W. Mclver, J. Chem. Phys. 88, 922 (1988). 10.1063/1.454172
42. T. M. Wu and R. F. Loring, J. Chem. Phys. 99, 8936 (1993). 10.1063/1.465563
43. M. Buchner, B. M. Ladanyi, and R. M. Stratt, J. Chem. Phys. 97, 8522 (1992). 10.1063/1.463370
44. T. M. Wu and S. F. Tsay, J. Chem. Phys. 105, 9281 (1996). 10.1063/1.472758
45. T. M. Wu, S. L. Chang, S. F. Tsay, and K. H. Tsai, J. Non-Cryst. Solids 352, 4615 (2006). 10.1016/j.jnoncrysol.2006.02.140 (Pubitemid 44646986)
46. R. L. Carter, Molecular Symmetry and Group Theory (Wiley, New York, 1998).
47. D. J. Wales and J. P. K. Doye, J. Chem. Phys. 103, 3061 (1995). 10.1063/1.470494
48. M. Schmidt, R. Kusche, W. Kronmller, B. von Issendorff, and H. Haberland, Phys. Rev. Lett. 79, 99 (1997); 10.1103/PhysRevLett.79.99
49. M. Schmidt, R. Kusche, B. V. Issendorff, and H. Haberland, Nature (London) 393, 238 (1998); 10.1038/30415 (Pubitemid 28261715)
50. H. Schmidt and H. Haberland, C. R. Phys 3, 327 (2002). 10.1016/S1631-0705(02)01326-9 (Pubitemid 36646017)
51. D. J. Wales, J. Chem. Soc. Faraday Trans. 87, 2399 (1991). 10.1039/ft9918702399
52. R. M. Lynden-Bell and D. J. Wales, J. Chem. Phys. 101, 1460 (1994). 10.1063/1.467771
53. J. P. K. Doye and D. J. Wales, J. Chem. Phys. 102, 9673 (1995). 10.1063/1.468786
54. D. J. Wales, J. Chem. Phys. 101, 3750 (1994). 10.1063/1.467559
55. F. Calvo, Phys. Rev. E 82, 046703 (2010). 10.1103/PhysRevE.82.046703
56. F. Calvo and F. Spiegelmann, J. Chem. Phys. 112, 2888 (2000). 10.1063/1.480862 (Pubitemid 33640712)