Molecular dynamics simulation study of solid-liquid phase transition in water clusters. The effect of cluster size

Synthesis and Reactivity in Inorganic, Metal-Organic and Nano-Metal Chemistry

Volumn 38, Issue 1, 2008, Pages 62-68

  Egorov, Andrei V ^a   Brodskaya, Elena N ^a   Laaksonen, Aatto ^b  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^b STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

MD simulation; Solid liquid phase transition; Water clusters

Indexed keywords

EID: 40449129189     PISSN: 15533174     EISSN: 15533182     Source Type: Journal    
DOI: 10.1080/15533170701853975     Document Type: Article

References (60)

1. S.-Y. Lo and B. Bonavida (eds.) Physical, Chemical, and Biological Properties of Stable Water Clusters, World Scientific Publishing, Singapore, 1998.
2. J. Jellinek, Theory of Atomic and Molecular Clusters, 1999, Springer, New York.
3. W.H. Robertson and M.A. Johnson, Ann, Rev. Phys. Chem., 2003, 54, 173.
4. P.L.M. Plummer and T.S. Chen, J. Phys. Chem., 1983, 87, 4190.
5. I.P. Buffey, W.B. Brown, and H.A. Gebbie, J. Chem. Soc. Faraday Trans., 1990, 86, 2357.
6. C.J. Tsai and K.D. Jordan, J. Chem. Phys., 1991, 95, 3850.
7. C.J. Tsai and K.D. Jordan, J. Chem. Phys., 1993, 99, 6957.
8. A. Vegiri and S.C. Farantos, J. Chem. Phys., 1993, 98, 4059.
9. S.C. Farantos, S. Kapetanakis, and A. Vegiri, J. Phys. Chem., 1993, 97, 12158.
10. M.V. Kirov, Rasplavy, 1993, 3, 78 (in Russian).
11. M.V. Kirov, Zhurnal Structurnoi Khimii, 1994, 35, 64(in Russian).
12. D.J. Wales and I. Ohmine, J. Chem. Phys., 1993, 98, 7245.
13. S. Saito and I. Ohmine, J. Chem. Phys., 1994, 101, 6063.
14. Z.B. Grüvenc and M.A. Anderson, Z. Phys. D, 1996, 36, 171.
15. M. Svanberg and J.B. C. Pettersson, J. Phys. Chem. A, 1998, 102, 1865.
16. J.M. Pedulla and K.D. Jordan, Chem. Phys., 1998, 239, 593.
17. J. Rodriguez, D. Laria, E.J. Marceca, and D.A. Estrin, J. Chem. Phys., 1999, 110, 9039.
18. M. Masella and J.-P. Flament, J. Chem. Phys., 1999, 111, 5081.
19. S.V. Shevkunov, Doklady Phys., 2001, 46, 12.
20. S.V. Shevkunov and A. Vegiri, J. Mol. Struct, 2002, 593, 19 (Theochem).
21. S.V. Shevkunov and A. Vegiri, J. Mol. Struct., 2001, 574, 27(Theochem).
22. M.A. Carignano, Chem. Phys. Lett., 2002, 361, 291.
23. P. Nigra, M.A. Carignano, and S. Kais, J. Chem. Phys., 2001, 115, 2621.
24. S.V. Shevkunov, Colloid J., 2001, 63, 511.
25. S. Shin, W.-J. Son, and S. Jang, J. Mol. Struct., 2004, 673, 109 (Theochem).
26. A.N. Tharrington and K.D. Jordan, J. Phys. Chem. A, 2003, 107, 7380.
27. M. Ocasio and G.E. Lopez, Chem. Phys. Lett., 2002, 356, 168.
28. W.A. Adeagbo and P. Entel, Phase Trans., 2004, 77, 63.
29. D. Laria, J. Rodriguez, C. Dellago, and D. Chandler, J. Phys. Chem. A, 2001, 105, 2646.
30. J. Rodriguez, G. Moriena, and D. Laria, Chem. Phys. Lett., 2002, 356, 147.
31. A.V. Egorov, E.N. Brodskaya, and A. Laaksonen, Mol. Phys., 2002, 100, 941.
32. W.L. Jorgensen and J. Tirado-Rives, J. Phys. Chem., 1996, 100, 14508.
33. S. Nóse, Mol. Phys., 1984, 52, 255.
34. W.G. Hoover, Phys. Rev. A, 1985, 31, 1695.
35. M.P. Allen and D.J. Tildesley, Computer Simulations of Liquids, 1987, Clarendon Press, Oxford.
36. H.J.C. Berendsen, J.R. Grigera, and T.P. Straatsma, J. Phys. Chem., 1987, 91, 6269.
37. W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, and M.L. Klein, J. Chem. Phys., 1983, 79, 926.
38. V. Buch, S. Bauerecker, J.P. Devlin, U. Buck, and J.K. Kazimirski, Int. Rev. Phys. Chem., 2004, 23, 375.
39. JA. Hayward and R.J. Reimers, J. Chem. Phys., 1997, 106, 1518.
40. G. Honjo and K. Shimaoka, Acta Crystallogr., 1957, 10, 710.
41. D.J. Wales and M.P. Hodges, Chem. Phys. Lett., 1998, 286, 65.
42. E. Molz, A.P. Y. Wong, M.H. W. Chan, and J.R. Beamish, Phys. Rev. B, 1993, 48, 5741.
43. L.A. Baez and P. Clancy, Mol. Phys., 1995, 86, 385.
44. L.A. Baez and P. Clancy, J. Chem. Phys., 1995, 103, 9744.
45. J. Ji and B.M. Pettitt, Mol. Phys., 1994, 82, 67.
46. T. Bryk and A.D. J. Haymet, J. Chem. Phys., 2002, 117, 10258.
47. S.C Gay, E.J. Smith, and A.D. J. Haymet, J. Chem. Phys., 2002, 116, 8876.
48. T. Bryk and A.D.J. Haymet, Mol. Simul., 2004, 30, 131.
49. B.W. Arbuckle and P. Clancy, J. Chem. Phys., 2002, 116, 5090.
50. C. Vega and J.L.F. Abascal, J. Chem. Phys., 2005, 123, 144504.
51. J.L.F. Abascal, E. Sanz, R. Garsia Fernandez, and C. Vega, J. Chem. Phys., 2005, 122, 234511.
52. C. Vega, E. Sanz, and J.L.F. Abascal, J. Chem. Phys., 2005, 122, 114507.
53. W.B. Hillig, J. Crystal Growth, 1998, 183, 463.
54. E. Sanz, C. Vega, J.L.F. Abascal, and L.G. MacDowell, J. Chem. Phys., 2004, 121, 1165.
55. Y. Koyama, H. Tanaka, G. Gao, and X.C. Zeng, J. Chem. Phys., 2004, 121, 7926.
56. J. Wang, S. Yoo, J. Bai, J.R. Morris, and X.C. Zeng, J. Chem. Phys., 2005, 123, 036101.
57. H. Nada and J.P.J.M. van der Eerden, J. Chem. Phys., 2003, 118, 7401.
58. G.-J. Kroes, Surf. Sci., 1992, 275, 365.
59. M.J. Vlot, J. Huinink, and J.P. van der Eerden, J. Chem. Phys., 1999, 110, 55.
60. G.T. Gao, X.C. Zeng, andH. Tanaka, J. Chem. Phys., 2000, 112, 8534.