Frequency dependence of specific heat in supercooled liquid water and emergence of correlated dynamics

Journal of Chemical Physics

Volumn 138, Issue 9, 2013, Pages

  Saito, Shinji ^a,b   Ohmine, Iwao ^a,b   Bagchi, Biman ^c  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

^c INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

QUANTITATIVE MEASURES; SPATIOTEMPORAL CORRELATION; STRETCHED EXPONENTIAL; STRETCHING PARAMETERS; SUPERCOOLED LIQUID WATER; TEMPERATURE DEPENDENCE; TEMPERATURE FLUCTUATION; TIME CORRELATION FUNCTIONS;

COMPUTER SIMULATION; CRYOGENIC LIQUIDS; MOLECULES; SUPERCOOLING; TEMPERATURE DISTRIBUTION;

SPECIFIC HEAT;

EID: 84874884246     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4793555     Document Type: Article

References (65)

1. C. A. Angell, Annu. Rev. Phys. Chem. 34, 593 (1983). 10.1146/annurev.pc. 34.100183.003113
2. P. G. Debenedetti, Metastable Liquids: Concepts and Principles (Princeton University Press, Princeton, 1996).
3. H. E. Stanley, P. Kumar, L. Xu, Z. Yan, M. G. Mazza, S. V. Buldyrev, S.-H. Chen, and F. Mallamaced, Physica A 386, 729 (2007). 10.1016/j.physa.2007. 07.044
4. C. A. Angell, J. Shuppert, and J. C. Tucker, J. Phys. Chem. 77, 3092 (1973). 10.1021/j100644a014
5. C. A. Angell, M. Oguni, and W. J. Sichina, J. Phys. Chem. 86, 998 (1982). 10.1021/j100395a032
6. D. G. Archer and R. W. Carter, J. Phys. Chem. B 104, 8563 (2000). 10.1021/jp0003914
7. E. Tombari, C. Ferrari, and G. Salvetti, Chem. Phys. Lett. 300, 749 (1999). 10.1016/S0009-2614(98)01392-X
8. R. J. Speedy and C. A. Angell, J. Chem. Phys. 65, 851 (1976). 10.1063/1.433153
9. R. J. Speedy, J. Phys. Chem. 86, 982 (1982). 10.1021/j100395a030
10. P. H. Poole, F. Sciortino, U. Essmann, and H. E. Stanley, Nature (London) 360, 324 (1992). 10.1038/360324a0
11. S. Sastry, P. G. Debenedetti, F. Sciortino, and H. E. Stanley, Phys. Rev. E 53, 6144 (1996). 10.1103/PhysRevE.53.6144
12. C. A. Angell, Science 319, 582 (2008). 10.1126/science.1131939
13. F. Sciortino, P. H. Poole, U. Essmann, and H. E. Stanley, Phys. Rev. E 55, 727 (1997). 10.1103/PhysRevE.55.727
14. S. Harrington, P. H. Poole, F. Sciortino, and H. E. Stanley, J. Chem. Phys. 107, 7443 (1997). 10.1063/1.474982
15. D. Paschek and A. Geiger, J. Phys. Chem. B 103 (20), 4139-4146 (1999). 10.1021/jp984075p
16. M. Yamada, S. Mossa, H. E. Stanley, and F. Sciortino, Phys. Rev. Lett. 88, 195701 (2002). 10.1103/PhysRevLett.88.195701
17. L. M. Xu, P. Kumar, S. V. Buldyrev, S. H. Chen, P. H. Poole, F. Sciortino, and H. E. Stanley, Proc. Natl. Acad. Sci. U.S.A. 102, 16558 (2005). 10.1073/pnas.0507870102
18. P. Jedlovszky and R. Vallauri, J. Chem. Phys. 122, 081101 (2005). 10.1063/1.1855886
19. Y. Liu, A. Z. Panagiotopoulos, and P. G. Debenedetti, J. Chem. Phys. 131, 104508 (2009). 10.1063/1.3229892
20. J. L. F. Abascal and C. Vega, J. Chem. Phys. 133, 234502 (2010). 10.1063/1.3506860
21. D. Z. Liu, Y. Zhang, C. C. Chen, C. Y. Mou, P. H. Poole, and S. H. Chen, Proc. Natl. Acad. Sci. U.S.A. 104, 9570 (2007). 10.1073/pnas.0701352104
22. F. Mallamace, M. Broccio, C. Corsaro, A. Faraone, D. Majolino, V. Venuti, L. Liu, C. Y. Mou, and S. H. Chen, Proc. Natl. Acad. Sci. U.S.A. 104, 424 (2007). 10.1073/pnas.0607138104
23. F. Mallamace, C. Branca, M. Broccio, C. Corsaro, C. Y. Mou, and S. H. Chen, Proc. Natl. Acad. Sci. U.S.A. 104, 18387 (2007). 10.1073/pnas.0706504104
24. F. Mallamace, C. Corsaro, M. Broccio, C. Branca, N. Gonzalez-Segredo, J. Spooren, S. H. Chen, and H. E. Stanley, Proc. Natl. Acad. Sci. U.S.A. 105, 1 2725 (2008). 10.1073/pnas.0805032105
25. A. Soper, Mol. Phys. 106, 2053 (2008). 10.1080/00268970802116146
26. M. A. Ricci, F. Bruni, and A. Giuliani, Faraday Discuss. 141, 347 (2008). 10.1039/b805706k
27. D. T. Limmer and D. Chandler, J. Chem. Phys. 135, 134503 (2011). 10.1063/1.3643333
28. V. Molinero and E. B. Moore, J. Phys. Chem. B 113, 4008 (2009). 10.1021/jp805227c
29. E. B. Moore and V. Molinero, J. Chem. Phys. 130, 244505 (2009). 10.1063/1.3158470
30. F. W. Starr, C. A. Angell, and H. E. Stanley, Physica A 323, 51 (2003). 10.1016/S0378-4371(03)00012-8
31. P. Kumar, S. V. Buldyrev, S. R. Becker, P. H. Poole, F. W. Starr, and H. E. Stanley, Proc. Natl. Acad. Sci. U.S.A. 104, 9575 (2007). 10.1073/pnas. 0702608104
32. H. L. Pi, J. L. Aragones, C. Vega, E. G. Noya, J. L. F. Abascal, M. A. Gonzalez, and C. McBride, Mol. Phys. 107, 365 (2009). 10.1080/00268970902784926
33. G. S. Grest and S. R. Nagel, J. Phys. Chem. 91, 4916 (1987). 10.1021/j100303a009
34. J. Jäckle, Physica A 162, 377 (1990). 10.1016/0378-4371(90)90424-Q
35. J. K. Nielsen and J. C. Dyre, Phys. Rev. B 54, 15754 (1996). 10.1103/PhysRevB.54.15754
36. J. K. Nielsen, Phys. Rev. E 60, 471 (1999). 10.1103/PhysRevE.60.471
37. P. Sceidler, W. Kob, A. Latz, J. Horbach, and K. Binder, Phys. Rev. B 63, 104204 (2001). 10.1103/PhysRevB.63.104204
38. D. Chakrabarti and B. Bagchi, J. Chem. Phys. 122, 014501 (2005). 10.1063/1.1829251
39. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
40. J. L. F. Abascal and C. Vega, J. Chem. Phys. 123, 234505 (2005). 10.1063/1.2121687
41. D. Eisenberg and W. Kauzmann, The Structures and Properties of Water (Oxford University Press, New York, 1969).
42. R. Bohmer, K. L. Ngai, C. A. Angell, and D. J. Plazek, J. Chem. Phys. 99, 4201 (1993). 10.1063/1.466117
43. S. M. Bhattacharyya, B. Bagchi, and P. G. Wolynes, Proc. Natl. Acad. Sci. U.S.A. 105, 16077 (2008). 10.1073/pnas.0808375105
44. J. R. Errington and P. G. Debenedetti, Nature (London) 409, 318 (2001). 10.1038/35053024
45. P. Kumar, S. V. Buldyrev, and H. E. Stanley, Proc. Natl. Acad. Sci. U.S.A. 106, 22130 (2009). 10.1073/pnas.0911094106
46. A. Bizid, L. Bosio, A. Defrain, and M. Oumezzine, J. Chem. Phys. 87, 2225 (1987). 10.1063/1.453149
47. S. M. Bhattacharyya, B. Bagchi, and P. G. Wolynes, J. Chem. Phys. 132, 104503 (2010). 10.1063/1.3330911
48. V. Velikov, S. Borick, and C. A. Angell, Science 294, 2335 (2001). 10.1126/science.1061757
49. C. A. Angell, Annu. Rev. Phys. Chem. 55, 559 (2004). 10.1146/annurev. physchem.55.091602.094156
50. Y. Z. Yue and C. A. Angell, Nature (London) 427, 717 (2004). 10.1038/nature02295
51. N. Giovambattista, C. A. Angell, F. Sciortino, and H. E. Stanley, Phys. Rev. Lett. 93, 047801 (2004). 10.1103/PhysRevLett.93.047801
52. N. Giovambattista, C. A. Angell, F. Sciortino, and H. E. Stanley, Phys. Rev. E 72, 011203 (2005). 10.1103/PhysRevE.72.011203
53. P. Gallo and M. Rovere, J. Chem. Phys. 137, 164503 (2012). 10.1063/1.4759262
54. Y. Zhang, M. Lagi, E. Fratini, P. Baglioni, E. Mamontov, and S. H. Chen, Phys. Rev. E 79, 040201(R) (2009). 10.1103/PhysRevE.79.040201
55. C. Dasgupta, A. V. Indrani, S. Ramaswamy, and M. K. Phani, Europhys. Lett. 15, 307 (1991). 10.1209/0295-5075/15/3/013
56. S. C. Glotzer, V. N. Novikov, and T. B. Schroder, J. Chem. Phys. 112, 509 (2000). 10.1063/1.480541
57. S. Franz and G. Parisi, J. Phys.: Condens. Matter 12, 6335 (2000). 10.1088/0953-8984/12/29/305
58. C. Toninelli, M. Wyart, L. Berthier, G. Biroli, and J. P. Bouchaud, Phys. Rev. E 71, 041505 (2005). 10.1103/PhysRevE.71.041505
59. B. Jana and B. Bagchi, J. Phys. Chem. B 113, 2221-2224 (2009). 10.1021/jp809722w
60. T. R. Kirkpatrick and D. Thirumalai, Phys. Rev. A 37, 4439 (1988). 10.1103/PhysRevA.37.4439
61. A. Heuer, M. Wilhelm, H. Zimmermann, and H. W. Spiess, Phys. Rev. Lett. 75, 2851 (1995). 10.1103/PhysRevLett.75.2851
62. E. Flenner and G. Szamel, Phys. Rev. E 70, 052501 (2004). 10.1103/PhysRevE.70.052501
63. K. Kim and S. Saito, Phys. Rev. E 79, 060501(R) (2009). 10.1103/PhysRevE.79.060501
64. K. Kim and S. Saito, J. Chem. Phys. 138, 12A506 (2013). 10.1063/1.4769256
65. See supplementary material at http://dx.doi.org/10.1063/1.4793555 E-JCPSA6-138-015310 for temperature dependence of liquid structure, volumes of Voronoi polyhedra, tetrahedralities, and static structure factors under constant pressure and volume conditions.