Growth rate of crystalline ice and the diffusivity of supercooled water from 126 to 262 K

Xu, Yuntao; Petrik, Nikolay G.; Smith, R. Scott; Kay, Bruce D.; Kimmel, Greg A.

doi:10.1073/pnas.1611395114

Growth rate of crystalline ice and the diffusivity of supercooled water from 126 to 262 K

Journal Article · Mon Dec 12 00:00:00 EST 2016 · Proceedings of the National Academy of Sciences of the United States of America

DOI:https://doi.org/10.1073/pnas.1611395114· OSTI ID:1335529

Xu, Yuntao ^[1]; ^[1]; Smith, R. Scott ^[1]; Kay, Bruce D. ^[1]; ^[1]

Chemical Physics &, Analysis, Physical Sciences Division, Physical &, Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA 99352

Significance

Water is ubiquitous, but its physical properties are anomalous compared with most liquids. Because the anomalies become enhanced upon cooling, understanding the behavior of deeply supercooled water is critical. Unfortunately, experiments below ∼236 K at ambient pressure are difficult due to uncontrolled crystallization. Using a pulsed-laser–heating technique, we have determined the crystalline-ice growth rate and liquid-water diffusivity for temperatures between 180 and 262 K in ultrahigh-vacuum conditions. The fact that both of these quantities are smoothly varying rules out the hypothesis that water’s properties have a singularity at or near 228 K. However, the results are consistent with a previous prediction for the diffusivity that assumed no thermodynamic transitions occur in the supercooled region.

View Journal Article

Research Organization:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1335529

Alternate ID(s):: OSTI ID: 1512076
OSTI ID: 1344658

Report Number(s):: PNNL-SA--119195

Journal Information:: Proceedings of the National Academy of Sciences of the United States of America, Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Issue: 52 Vol. 113; ISSN 0027-8424

Publisher:: Proceedings of the National Academy of SciencesCopyright Statement

Country of Publication:: United States

Language:: English

References (80)

Molecular Beam Studies of Nanoscale Films of Amorphous Solid Water Smith, R. Scott; Dohnálek, Zdenek; Kimmel, Greg A. Water in Confining Geometries https://doi.org/10.1007/978-3-662-05231-0_15	book	January 2003
The molecular mechanism of solidification Cahn, John W.; Hillig, W. B.; Sears, G. W. Acta Metallurgica, Vol. 12, Issue 12 https://doi.org/10.1016/0001-6160(64)90130-0	journal	December 1964
On the nature of crystal growth from the melt Jackson, K. A.; Uhlmann, D. R.; Hunt, J. D. Journal of Crystal Growth, Vol. 1, Issue 1 https://doi.org/10.1016/0022-0248(67)90003-6	journal	January 1967
Anisotropic growth kinetics of ice crystals from water studied by molecular dynamics simulation Nada, H.; Furukawa, Y. Journal of Crystal Growth, Vol. 169, Issue 3 https://doi.org/10.1016/S0022-0248(96)00444-7	journal	December 1996
Prediction of entropy and dynamic properties of water below the homogeneous nucleation temperature Starr, Francis W.; Angell, C. Austen; Stanley, H. Eugene Physica A: Statistical Mechanics and its Applications, Vol. 323 https://doi.org/10.1016/S0378-4371(03)00012-8	journal	May 2003
Crossover from diffusion-limited to kinetics-limited growth of ice crystals Shibkov, A. A.; Zheltov, M. A.; Korolev, A. A. Journal of Crystal Growth, Vol. 285, Issue 1-2 https://doi.org/10.1016/j.jcrysgro.2005.08.007	journal	November 2005
Thermodynamic Analysis of the Two-Liquid Model for Anomalies of Water, HDL–LDL Fluctuations, and Liquid–Liquid Transition Johari, G. P.; Teixeira, J. The Journal of Physical Chemistry B, Vol. 119, Issue 44 https://doi.org/10.1021/acs.jpcb.5b06458	journal	October 2015
Critical Radius of Supercooled Water Droplets: On the Transition toward Dendritic Freezing Buttersack, Tillmann; Bauerecker, Sigurd The Journal of Physical Chemistry B, Vol. 120, Issue 3 https://doi.org/10.1021/acs.jpcb.5b09913	journal	January 2016
Molecular Reorientation Dynamics Govern the Glass Transitions of the Amorphous Ices Shephard, J. J.; Salzmann, C. G. The Journal of Physical Chemistry Letters, Vol. 7, Issue 12 https://doi.org/10.1021/acs.jpclett.6b00881	journal	May 2016
Stability-limit conjecture. An interpretation of the properties of water Speedy, Robin J. The Journal of Physical Chemistry, Vol. 86, Issue 6 https://doi.org/10.1021/j100395a030	journal	March 1982
Self-Diffusion of Supercooled o -Terphenyl near the Glass Transition Temperature Mapes, Marie K.; Swallen, Stephen F.; Ediger, M. D. The Journal of Physical Chemistry B, Vol. 110, Issue 1 https://doi.org/10.1021/jp0555955	journal	January 2006
Transport in Amorphous Solid Water Films: Implications for Self-Diffusivity McClure, Sean M.; Barlow, Evan T.; Akin, Minta C. The Journal of Physical Chemistry B, Vol. 110, Issue 36 https://doi.org/10.1021/jp063259y	journal	September 2006
Thermal Conductivity Minimum: A New Water Anomaly Kumar, Pradeep; Stanley, H. Eugene The Journal of Physical Chemistry B, Vol. 115, Issue 48 https://doi.org/10.1021/jp2051867	journal	December 2011
Interface-Limited Growth of Heterogeneously Nucleated Ice in Supercooled Water Nistor, Razvan A.; Markland, Thomas E.; Berne, B. J. The Journal of Physical Chemistry B, Vol. 118, Issue 3 https://doi.org/10.1021/jp408832b	journal	January 2014
Diffusionless Crystal Growth from Glass Has Precursor in Equilibrium Liquid Sun, Ye; Xi, Hanmi; Ediger, M. D. The Journal of Physical Chemistry B, Vol. 112, Issue 3 https://doi.org/10.1021/jp709616c	journal	January 2008
Self-Diffusion of Supercooled Tris-naphthylbenzene Swallen, Stephen F.; Traynor, Katherine; McMahon, Robert J. The Journal of Physical Chemistry B, Vol. 113, Issue 14 https://doi.org/10.1021/jp808912e	journal	April 2009
Self-Diffusion of Supercooled Water to 238 K Using PGSE NMR Diffusion Measurements Price, William S.; Ide, Hiroyuki; Arata, Yoji The Journal of Physical Chemistry A, Vol. 103, Issue 4 https://doi.org/10.1021/jp9839044	journal	January 1999
Spectroscopic Signature of Stacking Disorder in Ice I Carr, Thomas H. G.; Shephard, Jacob J.; Salzmann, Christoph G. The Journal of Physical Chemistry Letters, Vol. 5, Issue 14 https://doi.org/10.1021/jz500996p	journal	July 2014
The existence of supercooled liquid water at 150?K Smith, R. Scott; Kay, Bruce D. Nature, Vol. 398, Issue 6730 https://doi.org/10.1038/19725	journal	April 1999
The relationship between liquid, supercooled and glassy water Mishima, Osamu; Stanley, H. Eugene Nature, Vol. 396, Issue 6709 https://doi.org/10.1038/24540	journal	November 1998
Configurational entropy and diffusivity of supercooled water Scala, Antonio; Starr, Francis W.; La Nave, Emilia Nature, Vol. 406, Issue 6792 https://doi.org/10.1038/35018034	journal	July 2000
Phase behaviour of metastable water Poole, Peter H.; Sciortino, Francesco; Essmann, Ulrich Nature, Vol. 360, Issue 6402 https://doi.org/10.1038/360324a0	journal	November 1992
Metastable liquid–liquid transition in a molecular model of water Palmer, Jeremy C.; Martelli, Fausto; Liu, Yang Nature, Vol. 510, Issue 7505 https://doi.org/10.1038/nature13405	journal	June 2014
Metastability and no criticality Chandler, D. Nature, Vol. 531, Issue 7593 https://doi.org/10.1038/nature16539	journal	March 2016
Palmer et al. reply Palmer, Jeremy C.; Martelli, Fausto; Liu, Yang Nature, Vol. 531, Issue 7593 https://doi.org/10.1038/nature16540	journal	March 2016
The structural origin of anomalous properties of liquid water Nilsson, Anders; Pettersson, Lars G. M. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms9998	journal	December 2015
Free energy contributions and structural characterization of stacking disordered ices Hudait, Arpa; Qiu, Siwei; Lupi, Laura Physical Chemistry Chemical Physics, Vol. 18, Issue 14 https://doi.org/10.1039/C6CP00915H	journal	January 2016
Temperature dependence of crystal growth of hexagonal ice (Ih) Rozmanov, Dmitri; Kusalik, Peter G. Physical Chemistry Chemical Physics, Vol. 13, Issue 34 https://doi.org/10.1039/c1cp21210a	journal	January 2011
Corresponding states for mesostructure and dynamics of supercooled water Limmer, David T.; Chandler, David Faraday Discussions, Vol. 167 https://doi.org/10.1039/c3fd00076a	journal	January 2013
Control of amorphous solid water morphology using molecular beams. I. Experimental results Kimmel, Greg A.; Stevenson, K. P.; Dohnálek, Z. The Journal of Chemical Physics, Vol. 114, Issue 12 https://doi.org/10.1063/1.1350580	journal	March 2001
Control of amorphous solid water morphology using molecular beams. II. Ballistic deposition simulations Kimmel, Greg A.; Dohnálek, Z.; Stevenson, K. P. The Journal of Chemical Physics, Vol. 114, Issue 12 https://doi.org/10.1063/1.1350581	journal	March 2001
The deposition angle-dependent density of amorphous solid water films Dohnálek, Z.; Kimmel, Greg A.; Ayotte, Patrick The Journal of Chemical Physics, Vol. 118, Issue 1 https://doi.org/10.1063/1.1525805	journal	January 2003
Thickness dependent crystallization kinetics of sub-micron amorphous solid water films Safarik, D. J.; Meyer, R. J.; Mullins, C. B. The Journal of Chemical Physics, Vol. 118, Issue 10 https://doi.org/10.1063/1.1543980	journal	March 2003
A new methodology and model for characterization of nucleation and growth kinetics in solids Safarik, D. J.; Mullins, C. B. The Journal of Chemical Physics, Vol. 119, Issue 23 https://doi.org/10.1063/1.1616551	journal	December 2003
Self‐Diffusion in Liquid Water to −31°C Gillen, Kenneth T.; Douglass, D. C.; Hoch, M. J. R. The Journal of Chemical Physics, Vol. 57, Issue 12 https://doi.org/10.1063/1.1678198	journal	December 1972
On the Temperature Dependence of Cooperative Relaxation Properties in Glass‐Forming Liquids Adam, Gerold; Gibbs, Julian H. The Journal of Chemical Physics, Vol. 43, Issue 1 https://doi.org/10.1063/1.1696442	journal	July 1965
Interpretation of Experimentally Determined Growth Rates of Ice Crystals in Supercooled Water Pruppacher, H. R. The Journal of Chemical Physics, Vol. 47, Issue 5 https://doi.org/10.1063/1.1712169	journal	September 1967
Kinetics of Phase Change. I General Theory Avrami, Melvin The Journal of Chemical Physics, Vol. 7, Issue 12, p. 1103-1112 https://doi.org/10.1063/1.1750380	journal	December 1939
Kinetics of Phase Change. II Transformation‐Time Relations for Random Distribution of Nuclei Avrami, Melvin The Journal of Chemical Physics, Vol. 8, Issue 2 https://doi.org/10.1063/1.1750631	journal	February 1940
The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface García Fernández, Ramón; Abascal, José L. F.; Vega, Carlos The Journal of Chemical Physics, Vol. 124, Issue 14 https://doi.org/10.1063/1.2183308	journal	April 2006
The fragile-to-strong dynamic crossover transition in confined water: nuclear magnetic resonance results Mallamace, F.; Broccio, M.; Corsaro, C. The Journal of Chemical Physics, Vol. 124, Issue 16 https://doi.org/10.1063/1.2193159	journal	April 2006
Layer-by-layer growth of thin amorphous solid water films on Pt(111) and Pd(111) Kimmel, Greg A.; Petrik, Nikolay G.; Dohnálek, Zdenek The Journal of Chemical Physics, Vol. 125, Issue 4 https://doi.org/10.1063/1.2218844	journal	July 2006
Crystalline ice growth on Pt(111) and Pd(111): Nonwetting growth on a hydrophobic water monolayer Kimmel, Greg A.; Petrik, Nikolay G.; Dohnálek, Zdenek The Journal of Chemical Physics, Vol. 126, Issue 11 https://doi.org/10.1063/1.2672869	journal	March 2007
Does viscosity describe the kinetic barrier for crystal growth from the liquidus to the glass transition? Nascimento, Marcio Luis Ferreira; Dutra Zanotto, Edgar The Journal of Chemical Physics, Vol. 133, Issue 17 https://doi.org/10.1063/1.3490793	journal	November 2010
Kinetic aspects of the thermostatted growth of ice from supercooled water in simulations Weiss, Volker C.; Rullich, Markus; Köhler, Christof The Journal of Chemical Physics, Vol. 135, Issue 3 https://doi.org/10.1063/1.3609768	journal	July 2011
The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water Limmer, David T.; Chandler, David The Journal of Chemical Physics, Vol. 135, Issue 13 https://doi.org/10.1063/1.3643333	journal	October 2011
Isothermal compressibility of supercooled water and evidence for a thermodynamic singularity at −45°C Speedy, R. J.; Angell, C. A. The Journal of Chemical Physics, Vol. 65, Issue 3 https://doi.org/10.1063/1.433153	journal	August 1976
Crystallization kinetics of water below 150 K Hage, Wolfgang; Hallbrucker, Andreas; Mayer, Erwin The Journal of Chemical Physics, Vol. 100, Issue 4 https://doi.org/10.1063/1.466468	journal	February 1994
Kinetics of crystallizing D ₂ O water near 150 K by Fourier transform infrared spectroscopy and a comparison with the corresponding calorimetric studies on H ₂ O water Hage, Wolfgang; Hallbrucker, Andreas; Mayer, Erwin The Journal of Chemical Physics, Vol. 103, Issue 2 https://doi.org/10.1063/1.470140	journal	July 1995
Liquid water in the domain of cubic crystalline ice Ic Jenniskens, P.; Banham, S. F.; Blake, D. F. The Journal of Chemical Physics, Vol. 107, Issue 4 https://doi.org/10.1063/1.474468	journal	July 1997
Perspective: Supercooled liquids and glasses Ediger, M. D.; Harrowell, Peter The Journal of Chemical Physics, Vol. 137, Issue 8 https://doi.org/10.1063/1.4747326	journal	August 2012
Anisotropy in the crystal growth of hexagonal ice, I _h Rozmanov, Dmitri; Kusalik, Peter G. The Journal of Chemical Physics, Vol. 137, Issue 9 https://doi.org/10.1063/1.4748377	journal	September 2012
Flow, diffusion and crystallization of supercooled liquids: Revisited Ngai, K. L.; Magill, J. H.; Plazek, D. J. The Journal of Chemical Physics, Vol. 112, Issue 4 https://doi.org/10.1063/1.480752	journal	January 2000
The effect of the underlying substrate on the crystallization kinetics of dense amorphous solid water films Dohnálek, Z.; Kimmel, Greg A.; Ciolli, Ryan L. The Journal of Chemical Physics, Vol. 112, Issue 13 https://doi.org/10.1063/1.481166	journal	April 2000
In-layer stacking competition during ice growth Choi, Saehyun; Jang, Eunseon; Kim, Jun Soo The Journal of Chemical Physics, Vol. 140, Issue 1 https://doi.org/10.1063/1.4852180	journal	January 2014
Massively parallel molecular-dynamics simulation of ice crystallisation and melting: The roles of system size, ensemble, and electrostatics English, Niall J. The Journal of Chemical Physics, Vol. 141, Issue 23 https://doi.org/10.1063/1.4903786	journal	December 2014
A nanosecond pulsed laser heating system for studying liquid and supercooled liquid films in ultrahigh vacuum Xu, Yuntao; Dibble, Collin J.; Petrik, Nikolay G. The Journal of Chemical Physics, Vol. 144, Issue 16 https://doi.org/10.1063/1.4947304	journal	April 2016
Relation between the Widom line and the dynamic crossover in systems with a liquid-liquid phase transition Xu, L.; Kumar, P.; Buldyrev, S. V. Proceedings of the National Academy of Sciences, Vol. 102, Issue 46 https://doi.org/10.1073/pnas.0507870102	journal	November 2005
The violation of the Stokes-Einstein relation in supercooled water Chen, S. -H.; Mallamace, F.; Mou, C. -Y. Proceedings of the National Academy of Sciences, Vol. 103, Issue 35 https://doi.org/10.1073/pnas.0603253103	journal	August 2006
Relation between the Widom line and the breakdown of the Stokes-Einstein relation in supercooled water Kumar, P.; Buldyrev, S. V.; Becker, S. R. Proceedings of the National Academy of Sciences, Vol. 104, Issue 23 https://doi.org/10.1073/pnas.0702608104	journal	May 2007
NMR evidence of a sharp change in a measure of local order in deeply supercooled confined water Mallamace, F.; Corsaro, C.; Broccio, M. Proceedings of the National Academy of Sciences, Vol. 105, Issue 35 https://doi.org/10.1073/pnas.0805032105	journal	August 2008
Water's second glass transition Amann-Winkel, K.; Gainaru, C.; Handle, P. H. Proceedings of the National Academy of Sciences, Vol. 110, Issue 44 https://doi.org/10.1073/pnas.1311718110	journal	October 2013
Anomalies in bulk supercooled water at negative pressure Pallares, G.; El Mekki Azouzi, M.; Gonzalez, M. A. Proceedings of the National Academy of Sciences, Vol. 111, Issue 22 https://doi.org/10.1073/pnas.1323366111	journal	May 2014
Crystallization of Amorphous Water Ice in the Solar System Jenniskens, P.; Blake, D. F. The Astrophysical Journal, Vol. 473, Issue 2 https://doi.org/10.1086/178220	journal	December 1996
Supercooled and glassy water Debenedetti, Pablo G. Journal of Physics: Condensed Matter, Vol. 15, Issue 45 https://doi.org/10.1088/0953-8984/15/45/R01	journal	October 2003
Growth of multilayer ice films and the formation of cubic ice imaged with STM Thürmer, Konrad; Bartelt, Norman C. Physical Review B, Vol. 77, Issue 19 https://doi.org/10.1103/PhysRevB.77.195425	journal	May 2008
Dynamics anomaly in high-density amorphous ice between 0.7 and 1.1 GPa Handle, Philip H.; Loerting, Thomas Physical Review B, Vol. 93, Issue 6 https://doi.org/10.1103/PhysRevB.93.064204	journal	February 2016
Singularity-free interpretation of the thermodynamics of supercooled water Sastry, Srikanth; Debenedetti, Pablo G.; Sciortino, Francesco Physical Review E, Vol. 53, Issue 6 https://doi.org/10.1103/PhysRevE.53.6144	journal	June 1996
Thermodynamic and structural aspects of the potential energy surface of simulated water Starr, Francis W.; Sastry, Srikanth; La Nave, Emilia Physical Review E, Vol. 63, Issue 4 https://doi.org/10.1103/PhysRevE.63.041201	journal	March 2001
Nucleation-Limited Dewetting of Ice Films on Pt(111) Thürmer, Konrad; Bartelt, Norman C. Physical Review Letters, Vol. 100, Issue 18 https://doi.org/10.1103/PhysRevLett.100.186101	journal	May 2008
Tuning the Liquid-Liquid Transition by Modulating the Hydrogen-Bond Angular Flexibility in a Model for Water Smallenburg, Frank; Sciortino, Francesco Physical Review Letters, Vol. 115, Issue 1 https://doi.org/10.1103/PhysRevLett.115.015701	journal	July 2015
Neutron Scattering Analysis of Water’s Glass Transition and Micropore Collapse in Amorphous Solid Water Hill, Catherine R.; Mitterdorfer, Christian; Youngs, Tristan G. A. Physical Review Letters, Vol. 116, Issue 21 https://doi.org/10.1103/PhysRevLett.116.215501	journal	May 2016
Crystallization Rates of a Lennard-Jones Liquid Broughton, J. Q.; Gilmer, G. H.; Jackson, K. A. Physical Review Letters, Vol. 49, Issue 20 https://doi.org/10.1103/PhysRevLett.49.1496	journal	November 1982
Effect of Hydrogen Bonds on the Thermodynamic Behavior of Liquid Water Poole, Peter H.; Sciortino, Francesco; Grande, Tor Physical Review Letters, Vol. 73, Issue 12 https://doi.org/10.1103/PhysRevLett.73.1632	journal	September 1994
Crystalline Ice Growth on Pt(111): Observation of a Hydrophobic Water Monolayer Kimmel, Greg A.; Petrik, Nikolay G.; Dohnálek, Zdenek Physical Review Letters, Vol. 95, Issue 16 https://doi.org/10.1103/PhysRevLett.95.166102	journal	October 2005
The physics of premelted ice and its geophysical consequences Dash, J. G.; Rempel, A. W.; Wettlaufer, J. S. Reviews of Modern Physics, Vol. 78, Issue 3 https://doi.org/10.1103/RevModPhys.78.695	journal	July 2006
Insights into Phases of Liquid Water from Study of Its Unusual Glass-Forming Properties Angell, C. A. Science, Vol. 319, Issue 5863 https://doi.org/10.1126/science.1131939	journal	February 2008
Controlling the Morphology of Amorphous Solid Water Stevenson, K. P. Science, Vol. 283, Issue 5407 https://doi.org/10.1126/science.283.5407.1505	journal	March 1999
Experimental Studies of the Crystallization of Supercooled Water Hallett, J. Journal of the Atmospheric Sciences, Vol. 21, Issue 6 https://doi.org/10.1175/1520-0469(1964)021<0671:ESOTCO>2.0.CO;2	journal	November 1964
Review of the vapour pressures of ice and supercooled water for atmospheric applications Murphy, D. M.; Koop, T. Quarterly Journal of the Royal Meteorological Society, Vol. 131, Issue 608 https://doi.org/10.1256/qj.04.94	journal	April 2005

Similar Records

Growth rate of crystalline ice and the diffusivity of supercooled water from 126 to 262 K

Journal Article · Mon Dec 26 23:00:00 EST 2016 · Proceedings of the National Academy of Sciences of the United States of America · OSTI ID:1512076

Evidence for a liquid-liquid critical point in supercooled water within the E3B3 model and a possible interpretation of the kink in the homogeneous nucleation line

Journal Article · Tue Jun 07 00:00:00 EDT 2016 · Journal of Chemical Physics · OSTI ID:22660710

Related Subjects

36 MATERIALS SCIENCE
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
crystallization kinetics
dynamic crossover
self-diffusion
supercooled water

Growth rate of crystalline ice and the diffusivity of supercooled water from 126 to 262 K

Citation Formats

References (80)

Similar Records

Related Subjects