Dynamic heterogeneities in supercooled water

Journal of Physical Chemistry B

Volumn 108, Issue 21, 2004, Pages 6655-6662

  Giovambattista, Nicolas ^a   Mazza, Marco G ^a   Buldyrev, Sergey V ^a   Starr, Francis W ^b   Stanley, H Eugene ^a  

^a Boston University   (United States)

^b WESLEYAN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CORRELATION METHODS; DIFFUSION; ENTROPY; HYDROGEN BONDS; LIQUIDS; MOLECULES; POTENTIAL ENERGY;

GAUSSIAN DISTRIBUTIONS; INHERENT STRUCTURES; POTENTIAL ENERGY LANDSCAPE (PEL); SUPERCOOLED LIQUIDS;

MOLECULAR DYNAMICS;

EID: 2942528895     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp037925w     Document Type: Article

References (75)

1. Angell, C. A. Science 1995, 267, 1924.
2. Debenedetti, P. G.; Stillinger, F. H. Nature (London) 2001, 410, 259.
3. Glotzer, S. C. J. Non-Cryst. Solids 2000, 274, 342.
4. Ediger, M. D.; Angell, C. A.; Nagel, S. R. J. Phys. Chem. 1996, 100, 13200.
5. Sciortino, F.; Gallo, P.; Tartaglia, P.; Chen, S. H. Phys. Rev. E 1996, 54, 6331.
6. Sciortino, F.; Fabbian, L.; Chen, S.-H.; Tartaglia, P. Phys. Rev. E 1997, 56, 5397.
7. Kob, W.; Anderson, H. C. Phys. Rev. Lett. 1994, 73, 1376.
8. Starr, F. W.; Sciortino, F.; Stanley, H. E. Phys. Rev. E 1999, 60, 6757.
9. Harrington, S.; Sciortino, F.; Stanley, H. E. Phys. Rev. Lett. 1999, 82, 3629.
10. Schmidt-Rohr, K.; Spiess, H. W. Phys. Rev. Lett. 1991, 66, 3020.
11. Liesen, J.; Schmidt-Rohr, K.; Spiess, H. W. J. Non-Cryst. Solids 1994, 172-174, 737.
12. Heuer, A.; Wilhelm, M.; Zimmermann, H.; Spiess. H. W. Phys. Rev. Lett. 1995, 75, 2851.
13. Cicerone, M. T.; Ediger, M. D. J. Chem. Phys. 1995, 103, 5684.
14. Fujara, F.; Geil, B.; Sillescu, H.; Fleischer, G. Z. Phys. B 1992, 88, 195.
15. Cicerone, M. T.; Blackburn, F. R.; Ediger, M. D. J. Chem. Phys. 1995, 102, 471.
16. Hurley, M.; Harrowell, P. Phys. Rev. E 1995, 52, 1694.
17. Mel'cuk, A. I.; Ramos, R. A.; Gould, H.; Klein, W.; Mountain, R. D. Phys. Rev. Lett. 1995, 75, 2522.
18. Muranaka, T.; Hiwatari, Y. Phys. Rev. E 1995, 51, R2735.
19. Kob, W.; Donati, C.; Plimpton, S. J.; Poole, P. H.; Glotzer, S. C. Phys. Rev. Lett. 1997, 79, 2827.
20. Poole, P. H.; Glotzer, S. C.; Coniglio, A.; Jan, N. Phys. Rev. Lett. 1997, 78, 3394.
21. Angell, C. A.; Ngai, K. L.; McKenna, G. B.; McMillan, P. F.; Martin, S. W. J. Appl. Phys. 2000, 88, 3113.
22. Goldstein, M. J. Chem. Phys. 1969, 51, 3278.
23. Stillinger, F. H.; Weber, T. A. Phys. Rev. A 1983, 28, 2408.
24. Stillinger, F. H. Science 1995, 267, 1935.
25. Sastry, S.; Debenedetti, P. G.; Stillinger, F. H. Nature (London) 1998, 393, 554.
26. Schrøder, T. B.; Sastry, S.; Dyre, J. C.; C Glotzer, S. J. Chem. Phys. 2000, 112, 9834.
27. Heuer, A. Phys. Rev. Lett. 1997, 78, 4051. Buchner, S.; Heuer, A. Phys. Rev. E 1999, 60, 6507.
28. Heuer, A. Phys. Rev. Lett. 1997, 78, 4051. Buchner, S.; Heuer, A. Phys. Rev. E 1999, 60, 6507.
29. Angelani, L.; Parisi, G.; Ruocco, G.; Villani, G. Phys. Rev. Lett. 1998, 81, 4648.
30. Sciortino, F.; Kob, W.; Tartaglia, P. Phys. Rev. Lett. 1999, 83, 3214.
31. Adam, G.; Gibbs, J. H. J. Chem. Phys. 1965, 43, 139.
32. Scala, A.; Starr, F. W.; La Nave, E.; Sciortino, F.; Stanley, H. E. Nature (London) 2000, 406, 164.
33. Sastry, S. Nature (London) 2001, 409, 164.
34. Speedy, R. J. Phys. Chem. B 1999, 103, 4060.
35. Speedy, R. J. Chem. Phys. 2001, 114, 9069.
36. Giovambattista, N.; Starr, F. W.; Sciortino, F.; Buldyrev, S. V.; Stanley, H. E. Phys. Rev. E 2002, 65, 041502.
37. Donati, C.; Douglas, J. F.; Kob, W.; Plimpton, S. J.; Poole, P. H.; Glotzer, S. C. Phys. Rev. Lett. 1998, 80, 2338.
38. Glotzer, S. C.; Poole, P. H.; Kob, W.; Plimpton, S. J. Phys. Rev. E 1999, 60, 3107.
39. Doliwa, B.; Heuer, A. Phys. Rev. Lett. 1998, 80, 4915.
40. Böhmer, R.; et al. Europhys. Lett. 1996, 36, 55.
41. Schiener, B.; et al. Science 1996, 274, 752.
42. Kegel, W. K.; van Blaaderen, A. Science 2000, 287, 290.
43. Sillescu, H. J. Non-Cryst. Solids 1999, 243, 81.
44. Ediger, M. D. Annu. Rev. Phys. Chem. 2000, 51, 99.
45. Weeks, E. R.; et al. Science 2000, 287, 627.
46. Berendsen, H. J.; et al. J. Phys. Chem. 1987, 91, 6269.
47. Sciortino, F.; Geiger, A.; Stanley, H. E. Nature 1991, 354, 218.
48. Ohmine, I.; Tanaka, H. Chem. Rev. 1993, 93, 2545 and references therein.
49. Götze, W. J. Phys.; Condens. Matter 1999, 11, A1.
50. Götze, W. In Liquids, Freezing and Glass Transition; Hansen, J. P., Levesque, D., Zinn-Justin, J., Eds.; North-Holland, Amsterdam, 1991.
51. Hansen, J. P.; McDonald, I. R. Theory of Simple Liquids; Academic Press: London, 1986.
52. Gebremichael, Y.; Schrøder, T. B.; Starr, F. W.; Glotzer, S. C. Phys. Rev. E 2001, 64, 051503.
53. Bennemann, C.; Baschnagel, J.; Glotzer, S. C. Nature 1999, 399, 246.
54. Aichele, M.; Gebremichael, Y.; Starr, F. W.; Baschnagel, J.; Glotzer, S. C. J. Chem. Phys. 2003, 119, 5290.
55. Stauffer, D.; Aharony, A. Introduction to Percolation Theory; Taylor and Francis: London, 1998.
56. Jenckel, E. Z. Phys. Chem. 1939, 184, 309.
57. Debenedetti, P. G. Metastable Liquids; Princeton University Press: Princeton, 1996.
58. Debenedetti, P. G. J. Phys.: Condens. Matter 2003, 15, 1669.
59. Stillinger, F. H.; Weber, T. A. J. Phys. Chem. 1983, 87, 2833.
60. Coluzzi, B.; Parisi, G.; Verrocchio, P. Phys. Rev. Lett. 1999, 84, 306.
61. Mossa, S.; et al. Phys. Rev. E 2002, 65, 041205.
62. Speedy, R. J. Phys. Chem. B 2001, 105, 11737.
63. Dudowicz, J.; Freed, K. F.; Douglas, J. F. J. Chem. Phys. 1999, 111, 7116.
64. Doliwa, B.; Heuer, A. Phys. Rev. E 2003, 67, 030501.
65. Doliwa, B.; Heuer, A. Phys. Rev. E 2003, 67, 031506.
66. Denny, R. A.; Reichman, D. R.; Bouchaud, J.-P. Phys. Rev. Lett. 2003, 90, 025503.
67. Hydrogen Bonded Liquids; Dore, J., Texeira, J., Eds.; Kluwer: Dordrecht, The Netherlands, 1991; pp 171-183.
68. Grunwald, E. J. Am. Chem. Soc. 1986, 108, 5719.
69. Narten, A. H.; Levy, H. A. Science 1969, 165, 447.
70. Giguere, P. A. J. Chem. Phys. 1987, 87, 4835.
71. Walrafen, G. E.; Hokmabadi, M. S.; Yang, W. H.; Chu, Y. C.; Monosmith, B. J. Phys. Chem. 1989, 93, 2909.
72. Alternatively, we also consider using a separation of 0.35 nm, the distance criterion commonly used by hydrogen bond definitions [Sciortino, F.; Fornili, S. L. J. Chem. Phys. 1989, 90, 2786]. Preliminary calculations indicated this alternative choice does not qualitatively affect our results.
73. For our particular case, at the beginning of the diffusive regime, molecules are able to recombine forming two residual subclusters.
74. The maximum of 〈n(Δt)〉 occurs at time slightly before t*. Our conclusions are unaffected by choosing n* or the maximum of 〈n(Δt)〉.
75. conf, as can be expected since z ≪ N and the configurational entropy is an extensive property.