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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]
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  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Laboratory (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:
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.
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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. https://doi.org/10.1103/PhysRevLett.121.155701
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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. https://doi.org/10.1103/PhysRevLett.121.155701. https://www.osti.gov/servlets/purl/1477944.
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@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},
number = 15,
volume = 121,
place = {United States},
year = {Wed Oct 10 00:00:00 EDT 2018},
month = {Wed Oct 10 00:00:00 EDT 2018}
}
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Journal Article:
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https://doi.org/10.1103/PhysRevLett.121.155701
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Cited by: 27 works
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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
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