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

Journal Article · · Physical Review Letters

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.

Research Organization:
Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC52-07NA27344
OSTI ID:
1477944
Alternate ID(s):
OSTI ID: 1477545
Report Number(s):
LLNL-JRNL-749524; 934727
Journal Information:
Physical Review Letters, Vol. 121, Issue 15; ISSN 0031-9007
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 27 works
Citation information provided by
Web of Science

References (58)

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
Formulations of Artificial Viscosity for Multi-dimensional Shock Wave Computations journal July 1998
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
Compression Freezing Kinetics of Water to Ice VII journal July 2017
Analytic model of the Grüneisen parameter all densities journal August 2004
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
Modern Crystallography III book January 1984
Experimental configuration for isentropic compression of solids using pulsed magnetic loading journal September 2001
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
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
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
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
Kinetics of Phase Change. I General Theory journal December 1939
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
Crystallization tendencies of modelled Lennard-Jones liquids with different attractions journal January 2018
Reconciliation of ab initio theory and experimental elastic properties of Al2O3 journal July 2004
A potential model for the study of ices and amorphous water: TIP4P/Ice journal June 2005
A new quotidian equation of state (QEOS) for hot dense matter journal January 1988
Observations on the nucleation of ice VII in compressed water
  • 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 https://doi.org/10.1063/1.4971716
conference January 2017
A new global equation of state model for hot, dense matter journal September 1995
Thermal expansion of AlN, sapphire, and silicon journal March 1974
A metastable limit for compressed liquid water journal March 2007
Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature journal June 2014
Thermodynamic Properties of Synthetic Sapphire (α‐Al 2 O 3 ), Standard Reference Material 720 and the Effect of Temperature‐Scale Differences on Thermodynamic Properties journal November 1993
The solid–liquid interfacial free energy of close-packed metals: Hard-spheres and the Turnbull coefficient journal August 2001
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
Rapid freezing of water under dynamic compression journal May 2018
Perspective: Surface freezing in water: A nexus of experiments and simulations journal August 2017
The brittle compressive fracture of ice journal October 1990
Role of stacking disorder in ice nucleation journal November 2017
Direct measurements of the α-ϵ transition stress and kinetics for shocked iron journal May 2009
Nanosecond freezing of water under multiple shock wave compression: Optical transmission and imaging measurements journal November 2004
Kinetics of Phase Change. II Transformation‐Time Relations for Random Distribution of Nuclei journal February 1940
Solution of the non-steady state problem in nucleation kinetics journal March 1969
Development of the indirect‐drive approach to inertial confinement fusion and the target physics basis for ignition and gain journal November 1995
Transient nucleation in condensed systems journal December 1983
Model of plastic deformation for extreme loading conditions journal January 2003
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
The Phase Diagram of Water to 45,000 kg/cm 2 journal December 1937
The surface tension in a structural model for the solid-liquid interface journal January 1976
Ice nucleation triggered by negative pressure text January 2017
A structural model for the solid-liquid interface in monatomic systems journal April 1975
Perspective: Surface Freezing in Water: A Nexus of Experiments and Simulations text January 2017
An analytic model of the Gruneisen parameter at all densities text January 2002

Cited By (4)

Ice Ih vs. ice III along the homogeneous nucleation line journal January 2019
Two-phase equation of state for lithium fluoride journal February 2019
Temperature and rate effects in ramp-wave compression freezing of liquid water journal July 2019
Numerical modeling of solid-cluster evolution applied to the nanosecond solidification of water near the metastable limit journal October 2019

Figures / Tables (4)