skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Nanosecond Freezing of Water at High Pressures: Nucleation and Growth near the Metastability Limit

Abstract

The fundamental study of phase transition kinetics has motivated experimental methods toward achieving the largest degree of undercooling possible, more recently culminating in the technique of rapid, quasi-isentropic compression. This approach has been demonstrated to freeze water into the high-pressure ice VII phase on nanosecond timescales, with some experiments undergoing heterogeneous nucleation while others, in apparent contradiction, suggest a homogeneous nucleation mode. We show through a combination of theory, simulation, and analysis of experiments that these seemingly contradictory results are in agreement when viewed from the perspective of classical nucleation theory. We find that, perhaps surprisingly, classical nucleation theory is capable of accurately predicting the solidification kinetics of ice VII formation under an extremely high driving force ( | Δ μ / k B T | 1 ) but only if amended by two important considerations: (i) transient nucleation and (ii) separate liquid and solid temperatures. Finally, this is the first demonstration of a model that is able to reproduce the experimentally observed rapid freezing kinetics.

Authors:
 [1];  [1];  [1];  [1];  [1];  [1];  [1]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1477944
Alternate Identifier(s):
OSTI ID: 1477545
Report Number(s):
LLNL-JRNL-749524
Journal ID: ISSN 0031-9007; 934727
Grant/Contract Number:  
AC52-07NA27344
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 121; Journal Issue: 15; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; classical transport; interface & surface thermodynamics; nucleation; thermodynamics; finite-element method

Citation Formats

Myint, Philip C., Chernov, Alexander A., Sadigh, Babak, Benedict, Lorin X., Hall, Burl M., Hamel, Sebastien, and Belof, Jonathan L. Nanosecond Freezing of Water at High Pressures: Nucleation and Growth near the Metastability Limit. United States: N. p., 2018. Web. doi:10.1103/PhysRevLett.121.155701.
Myint, Philip C., Chernov, Alexander A., Sadigh, Babak, Benedict, Lorin X., Hall, Burl M., Hamel, Sebastien, & Belof, Jonathan L. Nanosecond Freezing of Water at High Pressures: Nucleation and Growth near the Metastability Limit. United States. doi:10.1103/PhysRevLett.121.155701.
Myint, Philip C., Chernov, Alexander A., Sadigh, Babak, Benedict, Lorin X., Hall, Burl M., Hamel, Sebastien, and Belof, Jonathan L. Wed . "Nanosecond Freezing of Water at High Pressures: Nucleation and Growth near the Metastability Limit". United States. doi:10.1103/PhysRevLett.121.155701. https://www.osti.gov/servlets/purl/1477944.
@article{osti_1477944,
title = {Nanosecond Freezing of Water at High Pressures: Nucleation and Growth near the Metastability Limit},
author = {Myint, Philip C. and Chernov, Alexander A. and Sadigh, Babak and Benedict, Lorin X. and Hall, Burl M. and Hamel, Sebastien and Belof, Jonathan L.},
abstractNote = {The fundamental study of phase transition kinetics has motivated experimental methods toward achieving the largest degree of undercooling possible, more recently culminating in the technique of rapid, quasi-isentropic compression. This approach has been demonstrated to freeze water into the high-pressure ice VII phase on nanosecond timescales, with some experiments undergoing heterogeneous nucleation while others, in apparent contradiction, suggest a homogeneous nucleation mode. We show through a combination of theory, simulation, and analysis of experiments that these seemingly contradictory results are in agreement when viewed from the perspective of classical nucleation theory. We find that, perhaps surprisingly, classical nucleation theory is capable of accurately predicting the solidification kinetics of ice VII formation under an extremely high driving force (|Δμ/kBT|≈1) but only if amended by two important considerations: (i) transient nucleation and (ii) separate liquid and solid temperatures. Finally, this is the first demonstration of a model that is able to reproduce the experimentally observed rapid freezing kinetics.},
doi = {10.1103/PhysRevLett.121.155701},
journal = {Physical Review Letters},
issn = {0031-9007},
number = 15,
volume = 121,
place = {United States},
year = {2018},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 3 works
Citation information provided by
Web of Science

Figures / Tables:

FIG. 1 FIG. 1: Representative experimental setup for multiple-shock compression and the phase diagram for water superimposed on an illustration of a hypothetical oceanic exoplanet. The quasi-isentropic loading path before the onset of freezing to ice VII may be approximated by the liquid principal isentrope. Ice VII has a body-centered cubic (BCC)more » lattice of oxygen. All the curves in the phase diagram are produced from our equation of state (EOS) for the two water phases. Unlike single-shock compression (where the relevant curve is the Hugoniot), quasi-isentropic compression can probe deeply under-cooled states since the temperature rise along its loading path is far more attenuated. The two-phase isentropes for the oceanic super-Earths Gliese 581d (GJ 581d) and Gliese 1214b (GJ 1214b) are initiated at surface temperatures of 340 K and 400 K, respectively, which are rough estimates taken from [16] and [17].« less

Save / Share:

Works referenced in this record:

A tensor artificial viscosity using a finite element approach
journal, December 2009


Free energy models for ice VII and liquid water derived from pressure, entropy, and heat capacity relations
journal, August 2017

  • Myint, Philip C.; Benedict, Lorin X.; Belof, Jonathan L.
  • The Journal of Chemical Physics, Vol. 147, Issue 8
  • DOI: 10.1063/1.4989582

Formulations of Artificial Viscosity for Multi-dimensional Shock Wave Computations
journal, July 1998

  • Caramana, E. J.; Shashkov, M. J.; Whalen, P. P.
  • Journal of Computational Physics, Vol. 144, Issue 1
  • DOI: 10.1006/jcph.1998.5989

Ice-VII inclusions in diamonds: Evidence for aqueous fluid in Earth’s deep mantle
journal, March 2018


Crystallization of water in a dynamic diamond-anvil cell: Evidence for ice VII-like local order in supercompressed water
journal, October 2006


Shock viscosity and the prediction of shock wave rise times
journal, July 1985

  • Swegle, J. W.; Grady, D. E.
  • Journal of Applied Physics, Vol. 58, Issue 2
  • DOI: 10.1063/1.336184

Compression Freezing Kinetics of Water to Ice VII
journal, July 2017


Analytic model of the Grüneisen parameter all densities
journal, August 2004

  • Burakovsky, Leonid; Preston, Dean L.
  • Journal of Physics and Chemistry of Solids, Vol. 65, Issue 8-9
  • DOI: 10.1016/j.jpcs.2003.10.076

Mobility of a diffuse simple crystal—melt interface
journal, June 1991


First-principles multiphase equation of state of carbon under extreme conditions
journal, July 2008


Rough hard sphere theory of the self‐diffusion constant for molecular liquids
journal, February 1975

  • Chandler, David
  • The Journal of Chemical Physics, Vol. 62, Issue 4
  • DOI: 10.1063/1.430647

Experimental configuration for isentropic compression of solids using pulsed magnetic loading
journal, September 2001

  • Hall, C. A.; Asay, J. R.; Knudson, M. D.
  • Review of Scientific Instruments, Vol. 72, Issue 9, p. 3587-3595
  • DOI: 10.1063/1.1394178

A structural model for the solid-liquid interface in monatomic systems
journal, June 1975


The thermal diffusivity of water at high pressures and temperatures
journal, January 2001

  • Abramson, Evan H.; Brown, J. Michael; Slutsky, Leon J.
  • The Journal of Chemical Physics, Vol. 115, Issue 22
  • DOI: 10.1063/1.1418244

Crystallization Rates of a Lennard-Jones Liquid
journal, November 1982


Gliese 581d is the First Discovered Terrestrial-Mass Exoplanet in the Habitable zone
journal, May 2011

  • Wordsworth, Robin D.; Forget, François; Selsis, Franck
  • The Astrophysical Journal, Vol. 733, Issue 2
  • DOI: 10.1088/2041-8205/733/2/L48

THEORETICAL TRANSIT SPECTRA FOR GJ 1214b AND OTHER “SUPER-EARTHS”
journal, August 2012


Response of seven crystallographic orientations of sapphire crystals to shock stresses of 16–86 GPa
journal, August 2009

  • Kanel, G. I.; Nellis, W. J.; Savinykh, A. S.
  • Journal of Applied Physics, Vol. 106, Issue 4
  • DOI: 10.1063/1.3204940

Freezing kinetics in overcompressed water
journal, May 2007


Temperature dependence of the crystal–melt interfacial energy of metals
journal, May 2012


Enhanced heterogeneous ice nucleation by special surface geometry
journal, May 2017

  • Bi, Yuanfei; Cao, Boxiao; Li, Tianshu
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms15372

Kinetics of Phase Change. I General Theory
journal, December 1939

  • Avrami, Melvin
  • The Journal of Chemical Physics, Vol. 7, Issue 12, p. 1103-1112
  • DOI: 10.1063/1.1750380

Formation of Crystal Nuclei in Liquid Metals
journal, October 1950


Measurements of Raman intensities and pressure dependence of phonon frequencies in sapphire
journal, February 1981

  • Watson, G. H.; Daniels, W. B.; Wang, C. S.
  • Journal of Applied Physics, Vol. 52, Issue 2
  • DOI: 10.1063/1.328785

Crystallization tendencies of modelled Lennard-Jones liquids with different attractions
journal, January 2018

  • Valdès, L. -C.; Gerges, J.; Mizuguchi, T.
  • The Journal of Chemical Physics, Vol. 148, Issue 1
  • DOI: 10.1063/1.5004659

Reconciliation of ab initio theory and experimental elastic properties of Al2O3
journal, July 2004

  • Gladden, J. R.; So, Jin H.; Maynard, J. D.
  • Applied Physics Letters, Vol. 85, Issue 3
  • DOI: 10.1063/1.1773924

A potential model for the study of ices and amorphous water: TIP4P/Ice
journal, June 2005

  • Abascal, J. L. F.; Sanz, E.; García Fernández, R.
  • The Journal of Chemical Physics, Vol. 122, Issue 23
  • DOI: 10.1063/1.1931662

A new quotidian equation of state (QEOS) for hot dense matter
journal, January 1988

  • More, R. M.; Warren, K. H.; Young, D. A.
  • Physics of Fluids, Vol. 31, Issue 10
  • DOI: 10.1063/1.866963

Observations on the nucleation of ice VII in compressed water
conference, January 2017

  • Stafford, Samuel J. P.; Chapman, David J.; Bland, Simon N.
  • SHOCK COMPRESSION OF CONDENSED MATTER - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings
  • DOI: 10.1063/1.4971716

A new global equation of state model for hot, dense matter
journal, September 1995

  • Young, David A.; Corey, Ellen M.
  • Journal of Applied Physics, Vol. 78, Issue 6
  • DOI: 10.1063/1.359955

Thermal expansion of AlN, sapphire, and silicon
journal, March 1974

  • Yim, W. M.; Paff, R. J.
  • Journal of Applied Physics, Vol. 45, Issue 3
  • DOI: 10.1063/1.1663432

A metastable limit for compressed liquid water
journal, March 2007

  • Dolan, D. H.; Knudson, M. D.; Hall, C. A.
  • Nature Physics, Vol. 3, Issue 5
  • DOI: 10.1038/nphys562

Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature
journal, June 2014

  • Sellberg, J. A.; Huang, C.; McQueen, T. A.
  • Nature, Vol. 510, Issue 7505
  • DOI: 10.1038/nature13266

The solid–liquid interfacial free energy of close-packed metals: Hard-spheres and the Turnbull coefficient
journal, August 2001

  • Laird, Brian B.
  • The Journal of Chemical Physics, Vol. 115, Issue 7
  • DOI: 10.1063/1.1391481

Time-dependent freezing of water under dynamic compression
journal, June 2003


Ice nucleation triggered by negative pressure
journal, November 2017


Shock‐Wave Studies of PMMA, Fused Silica, and Sapphire
journal, September 1970

  • Barker, L. M.; Hollenbach, R. E.
  • Journal of Applied Physics, Vol. 41, Issue 10
  • DOI: 10.1063/1.1658439

Perspective: Surface freezing in water: A nexus of experiments and simulations
journal, August 2017

  • Haji-Akbari, Amir; Debenedetti, Pablo G.
  • The Journal of Chemical Physics, Vol. 147, Issue 6
  • DOI: 10.1063/1.4985879

The brittle compressive fracture of ice
journal, October 1990


Role of stacking disorder in ice nucleation
journal, November 2017

  • Lupi, Laura; Hudait, Arpa; Peters, Baron
  • Nature, Vol. 551, Issue 7679
  • DOI: 10.1038/nature24279

Direct measurements of the α-ϵ transition stress and kinetics for shocked iron
journal, May 2009

  • Jensen, B. J.; Gray, G. T.; Hixson, R. S.
  • Journal of Applied Physics, Vol. 105, Issue 10
  • DOI: 10.1063/1.3110188

Nanosecond freezing of water under multiple shock wave compression: Optical transmission and imaging measurements
journal, November 2004

  • Dolan, D. H.; Gupta, Y. M.
  • The Journal of Chemical Physics, Vol. 121, Issue 18
  • DOI: 10.1063/1.1805499

Kinetics of Phase Change. II Transformation‐Time Relations for Random Distribution of Nuclei
journal, February 1940

  • Avrami, Melvin
  • The Journal of Chemical Physics, Vol. 8, Issue 2
  • DOI: 10.1063/1.1750631

Solution of the non-steady state problem in nucleation kinetics
journal, March 1969


Transient nucleation in condensed systems
journal, December 1983

  • Kelton, K. F.; Greer, A. L.; Thompson, C. V.
  • The Journal of Chemical Physics, Vol. 79, Issue 12
  • DOI: 10.1063/1.445731

Model of plastic deformation for extreme loading conditions
journal, January 2003

  • Preston, Dean L.; Tonks, Davis L.; Wallace, Duane C.
  • Journal of Applied Physics, Vol. 93, Issue 1
  • DOI: 10.1063/1.1524706

The surface tension in a structural model for the solid-liquid interface
journal, March 1976


Nanosecond freezing of water under multiple shock wave compression: Continuum modeling and wave profile measurements
journal, August 2005

  • Dolan, D. H.; Johnson, J. N.; Gupta, Y. M.
  • The Journal of Chemical Physics, Vol. 123, Issue 6
  • DOI: 10.1063/1.1993556

The Phase Diagram of Water to 45,000 kg/cm 2
journal, December 1937

  • Bridgman, P. W.
  • The Journal of Chemical Physics, Vol. 5, Issue 12
  • DOI: 10.1063/1.1749971

    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.