New metastable form of ice and its role in the homogeneous crystallization of water

Nature Materials

Volumn 13, Issue 7, 2014, Pages 733-739

  Russo, John ^a   Romano, Flavio ^a,b   Tanaka, Hajime ^a  

^a INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

^b UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

METASTABLE PHASES; NUCLEATION;

HOMOGENEOUS NUCLEATION; HOMOGENEOUS NUCLEATION TEMPERATURE; LOW TEMPERATURES; METASTABLE CRYSTALLINE PHASIS; MOLECULAR SIMULATIONS; PRESSURE DEPENDENCE; SUPERCOOLED LIQUIDS; THERMODYNAMIC EXPLANATION;

ICE;

ICE; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CRYSTALLIZATION; FREEZING; MONTE CARLO METHOD; THERMODYNAMICS;

COMPUTER SIMULATION; CRYSTALLIZATION; FREEZING; ICE; MODELS, MOLECULAR; MONTE CARLO METHOD; THERMODYNAMICS; WATER;

EID: 84902987452     PISSN: 14761122     EISSN: 14764660     Source Type: Journal    
DOI: 10.1038/nmat3977     Document Type: Article

References (47)

1. Eisenberg, D. & Kauzmann, W. The Structure and Properties of Water (Oxford Univ. Press, 1969).
2. Angell, C. A. Formation of glasses from liquids and biopolymers. Science 267, 1924-1935 (1995).
3. Mishima, O. & Stanley, H. The relationship between liquid, supercooled and glassy water. Nature 396, 329-335 (1998). (Pubitemid 28557386)
4. Debenedetti, P. Supercooled and glassy water. J. Phys. Condens. Matter 15, R1669-R1726 (2003).
5. Pruppacher, H. R. A new look at homogeneous ice nucleation in supercooled water drops. J. Atmos. Sci. 52, 1924-1933 (1995). (Pubitemid 26438098)
6. Rosenfeld, D. & Woodley, W. L. Deep convective clouds with sustained supercooled liquid water down to-37.5 °C. Nature 405, 440-442 (2000). (Pubitemid 30367416)
7. Koop, T., Luo, B., Tsias, A. & Peter, T. Water activity as the determinant for homogeneous ice nucleation in aqueous solutions. Nature 406, 611-614 (2000). (Pubitemid 30641044)
8. Soper, A. K. Structural transformations in amorphous ice and supercooled water and their relevance to the phase diagram of water. Mol. Phys. 106, 2053-2076 (2008).
9. Morishige, K. & Nobuoka, K. X-ray diffraction studies of freezing and melting of water confined in a mesoporous adsorbent (MCM-41). J. Chem. Phys. 107, 6965-6969 (1997). (Pubitemid 127606964)
10. Jelassi, J. et al. Studies of water and ice in hydrophilic and hydrophobic mesoporous silicas: pore characterisation and phase transformations. Phys. Chem. Chem. Phys. 12, 2838-2849 (2010).
11. Hansen, T., Koza, M. & Kuhs, W. Formation and annealing of cubic ice: I. Modelling of stacking faults. J. Phys. Condens. Matter 20, 285104 (2008).
12. Shilling, J. et al. Measurements of the vapor pressure of cubic ice and their implications for atmospheric ice clouds. Geophys. Res. Lett. 33, L17801 (2006).
13. Kobayashi, M. & Tanaka, H. Relationship between the phase diagram, the glass-forming ability, and the fragility of a water/salt mixture. J. Phys. Chem. B 115, 14077-14090 (2011).
14. Mayer, E. & Hallbrucker, A. Cubic ice from liquid water. Nature 325, 601-602 (1987).
15. Kohl, I., Mayer, E. & Hallbrucker, A. The glassy water-cubic ice system: A comparative study by X-ray diffraction and differential scanning calorimetry. Phys. Chem. Chem. Phys. 2, 1579-1586 (2000).
16. Murray, B. J. & Bertram, A. K. Formation and stability of cubic ice in water droplets. Phys. Chem. Chem. Phys. 8, 186-192 (2006).
17. Malkin, T. L., Murray, B. J., Brukhno, A. V., Anwar, J. & Salzmann, C. G. Structure of ice crystallized from supercooled water. Proc. Natl Acad. Sci. USA 109, 1041-1045 (2012).
18. Svishchev, I. M. & Kusalik, P. G. Crystallization of liquid water in a molecular dynamics simulation. Phys. Rev. Lett. 73, 975-978 (1994). (Pubitemid 24976367)
19. Matsumoto, M., Saito, S. & Ohmine, I. Molecular dynamics simulation of the ice nucleation and growth process leading to water freezing. Nature 416, 409-413 (2002). (Pubitemid 34272871)
20. Moore, E. B. & Molinero, V. Is it cubic? Ice crystallization from deeply supercooled water. Phys. Chem. Chem. Phys. 13, 20008-20016 (2011).
21. Li, T., Donadio, D., Russo, G. & Galli, G. Homogeneous ice nucleation from supercooled water. Phys. Chem. Chem. Phys. 13, 19807-19813 (2011).
22. Reinhardt, A., Doye, J. P., Noya, E. G. & Vega, C. Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water. J. Chem. Phys. 137, 194504-194504 (2012).
23. Moore, E. & Molinero, V. Structural transformation in supercooled water controls the crystallization rate of ice. Nature 479, 506-508 (2011).
24. Zhao, Z. et al. Tetragonal allotrope of group 14 elements. J. Am. Chem. Soc. 134, 12362-12365 (2012).
25. Abascal, J. & Vega, C. A general purpose model for the condensed phases of water: TIP4P/2005. J. Chem. Phys. 123, 234505 (2005).
26. Sanz, E., Vega, C., Abascal, J. & MacDowell, L. Phase diagram of water from computer simulation. Phys. Rev. Lett. 92, 255701 (2004).
27. Jacobson, L. C., Hujo, W. & Molinero, V. Thermodynamic stability and growth of guest-free clathrate hydrates: a low-density crystal phase of water. J. Phys. Chem. B 113, 10298-10307 (2009).
28. Romano, F., Sanz, E. & Sciortino, F. Crystallization of tetrahedral patchy particles in silico. J. Chem. Phys. 134, 174502 (2011).
29. Ghiringhelli, L. M. et al. State-of-the-art models for the phase diagram of carbon and diamond nucleation. Mol. Phys. 106, 2011-2038 (2008).
30. Ten Wolde, P. R., Ruiz-Montero, M. J. & Frenkel, D. Numerical evidence for bcc ordering at the surface of a critical fcc nucleus. Phys. Rev. Lett. 75, 2714-2717 (1995).
31. Santra, M., Singh, R. S. & Bagchi, B. Nucleation of a stable solid from melt in the presence of multiple metastable intermediate phases: Wetting, Ostwald step rule and vanishing polymorphs. J. Phys. Chem. B 117, 13154-13163 (2013).
32. Lundrigan, S. E. & Saika-Voivod, I. Test of classical nucleation theory and mean first-passage time formalism on crystallization in the Lennard-Jones liquid. J. Chem. Phys. 131, 104503 (2009).
33. Sanz, E. et al. Homogeneous ice nucleation at moderate supercooling from molecular simulation. J. Am. Chem. Soc. 135, 15008-15017 (2013).
34. Stillinger, F. H. Water revisited. Science 209, 451-457 (1980).
35. Russo, J. & Tanaka, H. Understanding water's anomalies with locally favored structures. Nature Commun. 5, 3556 (2014).
36. Ghiringhelli, L. M., Valeriani, C., Meijer, E. & Frenkel, D. Local structure of liquid carbon controls diamond nucleation. Phys. Rev. Lett. 99, 055702 (2007).
37. Kawasaki, T. & Tanaka, H. Formation of crystal nucleus from liquid. Proc. Natl Acad. Sci. USA 107, 14036-14041 (2010).
38. Russo, J. & Tanaka, H. The microscopic pathway to crystallization in supercooled liquids. Sci. Rep. 2, 505 (2012).
39. Russo, J. & Tanaka, H. Selection mechanism of polymorphs in the crystal nucleation of the Gaussian core model. Soft Matter 8, 4206-4215 (2012).
40. Tanaka, H. Bond orientational order in liquids: Towards a unified description of water-like anomalies, liquid-liquid transition, glass transition, and crystallization. Eur. Phys. J. E 35, 1-84 (2012).
41. Seidl, M., Amann-Winkel, K., Handle, P. H., Zifferer, G. & Loerting, T. From parallel to single crystallization kinetics in high-density amorphous ice. Phys. Rev. B 88, 174105 (2013).
42. Marchand, D. J., Hsiao, E. & Kim, S. H. Non-contact AFM imaging in water using electrically-driven cantilever vibration. Langmuir 29, 6762-6769 (2013).
43. h single crystals revealed by glancing angle X-ray scattering. Phys. Rev. Lett. 72, 3554-3557 (1994). (Pubitemid 24975471)
44. Vega, C., Sanz, E., Abascal, J. & Noya, E. Determination of phase diagrams via computer simulation: Methodology and applications to water, electrolytes and proteins. J. Phys. Condens. Matter 20, 153101 (2008).
45. Steinhardt, P. J., Nelson, D. R. & Ronchetti, M. Bond-orientational order in liquids and glasses. Phys. Rev. B 28, 784-805 (1983).
46. Lechner, W. & Dellago, C. Accurate determination of crystal structures based on averaged local bond order parameters. J. Chem. Phys. 129, 114707 (2008).
47. Auer, S. & Frenkel, D. Prediction of absolute crystal-nucleation rate in hard-sphere colloids. Nature 409, 1020-1023 (2001). (Pubitemid 32204049)