Correlation of static and dynamic heterogeneities in supercooled water by means of molecular dynamics simulations

Zeitschrift fur Physikalische Chemie

Volumn 223, Issue 9, 2009, Pages 1001-1010

  Holzmann, Jörg ^a   Appelhagen, Andreas ^a   Ludwig, Ralf ^a  

^a UNIVERSITY OF ROSTOCK   (Germany)

Author keywords

Anomalies; Heterogeneities; Supercooled liquids J molecular dynamics; Water

Indexed keywords

CRYOGENIC LIQUIDS; HYDROGEN BONDS; SUPERCOOLING; WATER;

ANOMALIES; DYNAMICAL HETEROGENEITIES; HETEROGENEITIES; HYDROGEN BONDING NETWORK; MOLECULAR DYNAMICS SIMULATIONS; STRUCTURAL HETEROGENEITY; SUPERCOOLED LIQUIDS; TEMPERATURE AND PRESSURES;

MOLECULAR DYNAMICS;

EID: 71049116834     PISSN: 09429352     EISSN: None     Source Type: Journal    
DOI: 10.1524/zpch.2009.6065     Document Type: Article

References (36)

1. H. W. Horn, W. C. Swope, J. W. Pitera, J. D. Madura, T. J. Dick, G. L. Hura, and T. Head-Gordon, J. Chem. Phys. 120 (2004) 9665-9678.
2. F. Franks, Water - A comprehensive Treatise. Plenum Press, New York (1972).
3. D. Eisenberg, and W. Kauzmann, The Structure and Properties of Water. Oxford University Press, London (1969).
4. T. Loerting, and N. Giovambattista, J. Phys.: Condens. Matter 18 (2006) R919-R977.
5. P. G. Debenedetti, J. Phys.: Condens. Matter 15 (2003) R1669-R1726.
6. F. Sciortino, A. Geiger, and H. E. Stanley, Nature 354 (1991) 218-221.
7. F. Sciortino, A. Geiger, and H. E. Stanley, Phys. Rev. Lett. 65 (1990) 3452-3455.
8. D. Paschek, and A. Geiger, J. Phys. Chem. B 103 (1999) 4139-4146.
9. F. W. Starr, F. Sciortino, and H. E. Stanley, Phys. Rev. E 60 (1999) 6757-6768.
10. A. Scala, F. W. Starr, E. L. Nave, F. Sciortino, and H. E. Stanley, Nature (London) 406 (2000) 166-169.
11. A. Geiger, P. Mausbach, and J. Schnitker, in Water and Aqueous Solutions. G. W. Neilson, and J. E. Enderby (Eds.) Adam Hilger, Bristol (1986) 15-30.
12. D. Laage, and J. T. Hynes, Science 311 (2006) 832-835.
13. D. Laage, and J. T. Hynes, Chem. Phys. Lett. 433 (2006) 80-85.
14. A. Chandra, and S. Chowdhuri, J. Phys. Chem. B 106 (2002) 6779-6783.
15. S. Chowdhuri, and A. Chandra, Phys. Rev. E 66 (2002) 041203.
16. J. Holzmann, R. Ludwig, D. Paschek, and A. Geiger, Angew. Chem., Int. Ed. 46 (2007) 8907-8911.
17. U. Essmann, L. Perera, M. L. Berkowitz, T. A. Darden, H. Lee, and L. G. Pedersen, J. Chem. Phys. 103 (1995) 8577-8593.
18. E. Lindahl, B. Hess, and D. van der Spoel, J. Mol. Model. 7 (2001) 306-317.
19. S. Miyamoto, and P. A. Kollman, J. Comp. Chem. 13 (1992) 952-962.
20. S. Nose\ Mol. Phys. 52 (1984) 255-268.
21. W. G. Hoover, Phys. Rev. A 31 (1985) 1695-1697.
22. M. Parrinello, and A. Rahman, J. Appl. Phys. 52 (1981) 7182-17180
23. S. Nose\ and M. L. Klein, Mol. Phys. 50 (1983) 1055-1076.
24. F. X. Prielmeier, E. W. Lang, R. J. Speedy, and H. D. Ltidemann, Phys. Rev. Lett. 59 (1987) 1128-1131.
25. For better comparison the experimental diffusion coefficients of [24 were scaled by a factor 1.1.
26. A. Geiger, and H. E. Stanley, Phys. Rev. Lett. 49 (1982) 1895-1898.
27. J. R. Errington, and P. G. Debenedetti, Nature (London) 409 (2001) 318-321.
28. H. E. Stanley, S. V. Buldyrev, G. Franzese, N. Giovambattista, and F. W. Starr, Phil. Trans. R. Soc. A 363 (2005) 509-523.
29. N. N. Medvedev, and Y. I. Naberukhin, J. Non-Cryst. Solids 94 (1987) 402-406.
30. Y. I. Naberukhin, V. A. Luchnikov, G. G. Malenkov, and E. A. Zheligovskaya, J. Struct. Chem. 98 (1997) 593-600.
31. A. Geiger, M. Klene, D. Paschek, and A. Rehtanz, J. Mol. Liq. 106 (2003) 131-146.
32. J. L. Finney, D. T. Bowron, A. K. Soper, T. Loerting, E. Mayer, and A. Hallbrucker, Phys. Rev. Lett. 89 (2002) 205503.
33. M. G. Mazza, N. Giovambattista, H. E. Stanley, and F. W. Starr, Phys. Rev. E 76 (2007) 031203.
34. W. Kob, C. Donati, S. J. Plimpton, P. H. Poole, and S. C. Glotzer, Phys. Rev. Lett. 79 (1997) 2827-2830.
35. J. Quian, R. Hentschke, and A. Heuer, J. Chem. Phys. Ill (1999) 10177-10182.
36. M. G. D. Popolo, and G. A. Voth, J. Phys. Chem. B 108 (2004) 1744-1752.