Anomalies in bulk supercooled water at negative pressure

Proceedings of the National Academy of Sciences of the United States of America

Volumn 111, Issue 22, 2014, Pages 7936-7941

  Pallares, Gaël ^a   El Mekki Azouzi, Mouna ^a   González, Miguel A ^b   Aragones, Juan L ^b   Abascal, José L F ^b   Valeriani, Chantal ^b   Caupin, Fred́éric ^a  

^a UNIVERSITÉ LYON 1   (France)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

Author keywords

Berthelot tube; Scenarios for water; Widom line

Indexed keywords

SUPERCOOLED WATER; UNCLASSIFIED DRUG; WATER;

ADIABATICITY; ARTICLE; COMPRESSION; CRYSTALLIZATION; DENSITY; NEGATIVE PRESSURE; PRESSURE; PRIORITY JOURNAL; SIMULATION; SOUND ANALYSIS; SOUND VELOCITY; SUPERCRITICAL FLUID; VELOCITY;

BERTHELOT TUBE; SCENARIOS FOR WATER; WIDOM LINE;

COLD TEMPERATURE; CRYSTALLIZATION; ICE; MINERALS; MODELS, CHEMICAL; PHASE TRANSITION; PLANTS; PRESSURE; SCATTERING, RADIATION; STEAM; STRESS, MECHANICAL; THERMODYNAMICS; WATER;

EID: 84901823545     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1323366111     Document Type: Article

References (56)

1. Speedy RJ, Angell CA (1976) Isothermal compressibility of supercooled water and evidence for a thermodynamic singularity at -45°C. J Chem Phys 65(3):851-858.
2. Speedy RJ (1982) Stability-limit conjecture. An interpretation of the properties of water. J Phys Chem 86(6):982-991.
3. The International Association for the Properties of Water and Steam (2009) Revised release on the IAPWS formulation 1995 for the thermodynamic properties of ordinary water substance for general and scientific use. Available at www.iapws.org/relguide/IAPWS-95.html. Accessed October 20, 2013.
4. Poole PH, Sciortino F, Essmann U, Stanley HE (1992) Phase behaviour of metastable water. Nature 360(6402):324-328.
5. Sciortino F, Poole PH, Essmann U, Stanley HE (1997) Line of compressibility maxima in the phase diagram of supercooled water. Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics 55(1):727-737. (Pubitemid 127736161)
6. Xu L, et al. (2005) Relation between the Widom line and the dynamic crossover in systems with a liquid-liquid phase transition. Proc Natl Acad Sci USA 102(46):16558-16562. (Pubitemid 41688814)
7. El Mekki Azouzi M, Ramboz C, Lenain J-F, Caupin F (2013) A coherent picture of water at extreme negative pressure. Nat Phys 9(1):38-41.
8. Debenedetti PG (2003) Supercooled and glassy water. J Phys Condens Matter 15(45):R1669-R1726.
9. Poole PH, Sciortino F, Grande T, Stanley HE, Angell CA (1994) Effect of hydrogen bonds on the thermodynamic behavior of liquid water. Phys Rev Lett 73(12):1632-1635. (Pubitemid 24975932)
10. Zheng Q, et al. (2002) Liquids Under Negative Pressure, NATO Science Series II, eds Imre AR, Maris HJ, Williams PR (Kluwer Academic Publishers, Dordrecht, The Netherlands), Vol 84, pp 33-46.
11. Angell CA (2008) Insights into phases of liquid water from study of its unusual glass-forming properties. Science 319(5863):582-587.
12. Sastry S, Debenedetti PG, Sciortino F, Stanley HE (1996) Singularity-free interpretation of the thermodynamics of supercooled water. Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics 53(6):6144-6154. (Pubitemid 126612974)
13. Stokely K, Mazza MG, Stanley HE, Franzese G (2010) Effect of hydrogen bond cooperativity on the behavior of water. Proc Natl Acad Sci USA 107(4):1301-1306.
14. Liu D, et al. (2007) Observation of the density minimum in deeply supercooled confined water. Proc Natl Acad Sci USA 104(23):9570-9574. (Pubitemid 47175307)
15. Murata K-I, Tanaka H (2012) Liquid-liquid transition without macroscopic phase separation in a water-glycerol mixture. Nat Mater 11(5):436-443.
16. Caupin F, Herbert E (2006) Cavitation in water: A review. C R Phys 7(9-10):1000-1017. (Pubitemid 44874022)
17. Caupin F, Stroock AD (2013) The stability limit and other open questions on water at negative pressure. Liquid Polymorphism: Advances in Chemical Physics, ed Stanley HE (Wiley, New York), Vol 152, pp 51-80.
18. Zheng Q, Durben DJ, Wolf GH, Angell CA (1991) Liquids at large negative pressures: Water at the homogeneous nucleation limit. Science 254(5033):829-832. (Pubitemid 21917404)
19. Alvarenga AD, Grimsditch M, Bodnar RJ (1993) Elastic properties of water under negative pressures. J Chem Phys 98(11):8392-8396.
20. Shmulovich KI, Mercury L, Thiéry R, Ramboz C, El Mekki M (2009) Experimental superheating of water and aqueous solutions. Geochim Cosmochim Acta 73(9):2457-2470.
21. Henderson S, Speedy R (1980) A Berthelot-Bourdon tube method for studying water under tension. J Phys E Sci Instrum 13:778-782.
22. Teixeira J, Leblond J (1978) Brillouin scattering from supercooled water. J. Physique Lett 39(7):83-85.
23. Conde O, Leblond J, Teixeira J (1980) Analysis of the dispersion of the sound velocity in supercooled water. J Phys 41(9):997-1000. (Pubitemid 11462169)
24. Conde O, Teixeira J, Papon P (1982) Analysis of sound velocity in supercooled H2O, D2O, and water-ethanol mixtures. J Chem Phys 76(7):3747-3753.
25. Maisano G, et al. (1984) Evidence of anomalous acoustic behavior from Brillouin scattering in supercooled water. Phys Rev Lett 52(12):1025-1028.
26. Magazu S, et al. (1989) Relaxation process in deeply supercooled water by Mandelstam-Brillouin scattering. J Phys Chem 93(2):942-947.
27. Cunsolo A, Nardone M (1996) Velocity dispersion and viscous relaxation in supercooled water. J Chem Phys 105(10):3911-3917. (Pubitemid 126747457)
28. Davitt K, Rolley E, Caupin F, Arvengas A, Balibar S (2010) Equation of state of water under negative pressure. J Chem Phys 133(17):174507.
29. Netz PA, Starr FW, Stanley HE, Barbosa MC (2001) Static and dynamic properties of stretched water. J Chem Phys 115(1):344-348. (Pubitemid 32639827)
30. Yamada M, Mossa S, Stanley HE, Sciortino F (2002) Interplay between time-temperature transformation and the liquid-liquid phase transition in water. Phys Rev Lett 88(19):195701.
31. Abascal JLF, Vega C (2005) A general purpose model for the condensed phases of water: TIP4P/2005. J Chem Phys 123(23):234505.
32. Vega C, Abascal JLF (2011) Simulating water with rigid non-polarizable models: A general perspective. Phys Chem Chem Phys 13(44):19663-19688.
33. Abascal JLF, Vega C (2011) Note: Equation of state and compressibility of supercooled water: Simulations and experiment. J Chem Phys 134(18):186101.
34. Vega C, Abascal JLF, Nezbeda I (2006) Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice. J Chem Phys 125(3):34503.
35. Hare DE, Sorensen CM (1987) The density of supercooled water. II. Bulk samples cooled to the homogeneous nucleation limit. J Chem Phys 87(8):4840-4845.
36. Ohmori T, Kimura Y, Hirota N, Terazima M (2001) Thermal diffusivities and sound velocities of supercritical methanol and ethanol measured by the transient grating method. Phys Chem Chem Phys 3(18):3994-4000.
37. Abascal JLF, Vega C (2010) Widom line and the liquid-liquid critical point for the TIP4P/2005 water model. J Chem Phys 133(23):234502.
38. Limmer DT, Chandler D (2013) The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II. J Chem Phys 138(21):214504.
39. Kanno H, Speedy RJ, Angell CA (1975) Supercooling of water to -92°C under pressure. Science 189(4206):880-881.
40. Mishima O, Stanley HE (1998) The relationship between liquid, supercooled and glassy water. Nature 396(6709):329-335. (Pubitemid 28557386)
41. The International Association for the Properties of Water and Steam (1992) Revised supplementary release: Saturation properties of ordinary water substance, September 1992. Available at http://www.iapws.org/relguide/supsat. pdf. Accessed October 20, 2013.
42. Boon JP, Yip S (1980) Molecular Hydrodynamics (McGraw-Hill, New York).
43. The International Association for the Properties of Water and Steam (1997) Release on the refractive index of ordinary water substance as a function of wavelength, temperature and pressure. Available at http://www.iapws.org/ relguide/rindex.pdf. Accessed October 20, 2013.
44. Bencivenga F, Cimatoribus A, Gessini A, Izzo MG, Masciovecchio C (2009) Temperature and density dependence of the structural relaxation time in water by inelastic ultraviolet scattering. J Chem Phys 131(14):144502.
45. Aragones JL, Vega C (2009) Plastic crystal phases of simple water models. J Chem Phys 130(24):244504.
46. Conde MM, Vega C, Tribello GA, Slater B (2009) The phase diagram of water at negative pressures: Virtual ices. J Chem Phys 131(3):034510.
47. Aragones JL, MacDowell LG, Siepmann JI, Vega C (2011) Phase diagram of water under an applied electric field. Phys Rev Lett 107(15):155702.
48. Vega C, Abascal JLF, Conde MM, Aragones JL (2009) What ice can teach us about water interactions: A critical comparison of the performance of different water models. Faraday Discuss 141:251-276, discussion 309-346.
49. Aragones JL, MacDowell LG, Vega C (2011) Dielectric constant of ices and water: A lesson about water interactions. J Phys Chem A 115(23):5745-5758.
50. Hess B, Kutzner C, van der Spoel D, Lindahl E (2008) GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation. J Chem Theory Comput 4(3):435-447.
51. Van Der Spoel D, et al. (2005) GROMACS: Fast, flexible, and free. J Comput Chem 26(16):1701-1718. (Pubitemid 43076182)
52. Essmann U, et al. (1995) A smooth particle mesh Ewald method. J Chem Phys 103(19):8577-8593.
53. Hess B (2008) P-LINCS: A parallel linear constraint solver for molecular simulation. J Chem Theory Comput 4(1):116-122.
54. Bussi G, Donadio D, Parrinello M (2007) Canonical sampling through velocity rescaling. J Chem Phys 126(1):014101.
55. Parrinello M, Rahman A (1981) Polymorphic transitions in single crystals: A new molecular dynamics method. J Appl Phys 52(12):7182-7190. (Pubitemid 12456820)
56. Shevchuk R, Rao F (2012) Note: Microsecond long atomistic simulation of supercooled water. J Chem Phys 137(3):036101.