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Structural relaxation and crystallization in supercooled water from 170 to 260 K

Journal Article · · Proceedings of the National Academy of Sciences of the United States of America

The structural relaxation and crystallization of deeply supercooled water are investigated in transiently-heated nanoscale water films using infrared spectroscopy for temperatures between 170 and 260 K. For temperatures above ~230 K, the relaxation kinetics can be fit with a simple exponential decay which is characteristic of normal liquids. At lower temperatures, increasingly non-exponential decay is observed indicating the onset of heterogeneous dynamics. Water’s relaxation rate depends on its initial structure with hyper-quenched glassy water (HQW) typically relaxing more quickly than low-density amorphous solid water (LDA). At all temperatures, the relaxation time, trel is faster than the crystallization time, txtal. For HQW, the ratio, txtal/trel, goes through a minimum at ~198 K where it is about 60. The research was designed and supervised by GAK and BDK. LK and WAT conducted the experiments and analyzed the data. LK and GAK wrote the manuscript, with input from all authors.

Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-76RL01830
OSTI ID:
1797429
Report Number(s):
PNNL-SA-158074
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: 14 Vol. 118
Country of Publication:
United States
Language:
English

References (84)

Structural order in glassy water journal June 2005
Theory of Structural Glasses and Supercooled Liquids journal May 2007
Reversible structural transformations in supercooled liquid water from 135 to 245 K journal September 2020
Detailed comparison of the Williams–Watts and Cole–Davidson functions journal October 1980
Metabasin dynamics and local structure in supercooled water journal April 2007
Relaxation in glassforming liquids and amorphous solids journal September 2000
Mixturelike Behavior Near a Liquid-Liquid Phase Transition in Simulations of Supercooled Water journal March 2011
Thermodynamics of supercooled and stretched water: Unifying two-structure description and liquid-vapor spinodal journal July 2019
Anomalous low-temperature thermal properties of glasses and spin glasses journal January 1972
Maxima in the thermodynamic response and correlation functions of deeply supercooled water journal December 2017
Supercooled Liquids and Glasses journal January 1996
Dynamics of Water Intercalated in Graphite Oxide journal January 2010
Supercooled liquids and the glass transition journal March 2001
Growth rate of crystalline ice and the diffusivity of supercooled water from 126 to 262 K journal December 2016
Crossover (or Kovacs) Effect in an Aging Molecular Liquid journal January 2004
Spatially inhomogeneous bimodal inherent structure of simulated liquid water journal January 2011
The structural origin of anomalous properties of liquid water journal December 2015
Effect of defects on molecular mobility in liquid water journal November 1991
S PATIALLY H ETEROGENEOUS D YNAMICS IN S UPERCOOLED L IQUIDS journal October 2000
Clusters of mobile molecules in supercooled water journal July 2005
The anomalies and criticality of liquid water journal October 2020
A Topographic View of Supercooled Liquids and Glass Formation journal March 1995
Relaxation of spatially heterogeneous dynamic domains in supercooled ortho‐terphenyl journal October 1995
THz Spectroscopy of Liquid H 2 O and D 2 O journal April 1999
Cooling rate, heating rate, and aging effects in glassy water journal May 2004
Heterogeneous dynamics in liquids: fluctuations in space and time journal May 2002
Aging as dynamics in configuration space journal March 2000
Self-Diffusion of Supercooled Water to 238 K Using PGSE NMR Diffusion Measurements journal January 1999
Network defects and molecular mobility in liquid water journal March 1992
Inherent structure in water journal July 1983
Static and dynamic heterogeneities in water
  • Stanley, H. Eugene; Buldyrev, Sergey V.; Franzese, Giancarlo
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 363, Issue 1827 https://doi.org/10.1098/rsta.2004.1505
journal December 2004
Temperature Dependence of Homogeneous Nucleation in Ice journal June 2019
Exploring the potential energy landscape of glass-forming systems: from inherent structures via metabasins to macroscopic transport journal August 2008
Pressure-induced transformations in glasses journal September 1993
Structural relaxation in the glass transition region of water journal July 2005
Pressure Dependence of Fragile-to-Strong Transition and a Possible Second Critical Point in Supercooled Confined Water journal September 2005
Trap Models and Slow Dynamics in Supercooled Liquids journal January 2003
The dielectric relaxation time of supercooled water journal March 1982
Confined Water as Model of Supercooled Water journal March 2016
Aging effects manifested in the potential-energy landscape of a model glass former journal August 2010
A nanosecond pulsed laser heating system for studying liquid and supercooled liquid films in ultrahigh vacuum journal April 2016
Hopping in a supercooled Lennard-Jones liquid: Metabasins, waiting time distribution, and diffusion journal March 2003
Prediction of entropy and dynamic properties of water below the homogeneous nucleation temperature journal May 2003
Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature journal June 2014
Investigating hydration dependence of dynamics of confined water: Monolayer, hydration water and Maxwell–Wagner processes journal April 2008
Relationship between structural order and the anomalies of liquid water journal January 2001
Physics of the Liquid-Liquid Critical Point journal October 2003
Stringlike Cooperative Motion in a Supercooled Liquid journal March 1998
Energy barriers and activated dynamics in a supercooled Lennard-Jones liquid journal March 2003
Vibrational dynamics of confined supercooled water journal June 2019
Transitions between inherent structures in water journal March 2002
Connection between Adam-Gibbs Theory and Spatially Heterogeneous Dynamics journal February 2003
Growing correlation length in supercooled water journal June 2009
Singularity-free interpretation of the thermodynamics of supercooled water journal June 1996
Aging and energy landscapes: application to liquids and glasses journal December 2002
Glass Transition and Relaxation Processes in Supercooled Water journal December 2004
Viscosity of deeply supercooled water and its coupling to molecular diffusion journal September 2015
Phase behaviour of metastable water journal November 1992
Origin of the emergent fragile-to-strong transition in supercooled water journal September 2018
Dynamical Heterogeneities in a Supercooled Lennard-Jones Liquid journal October 1997
Energy landscape-driven non-equilibrium evolution of inherent structure in disordered material journal May 2017
Dynamics on the Way to Forming Glass: Bubbles in Space-Time journal March 2010
Dynamic Crossovers and Stepwise Solidification of Confined Water: A 2 H NMR Study journal December 2013
Viscous Liquids and the Glass Transition: A Potential Energy Barrier Picture journal November 1969
Potential energy landscape of TIP4P/2005 water journal April 2018
Understanding water’s anomalies with locally favoured structures journal April 2014
Dynamics of supercooled water in confined geometry journal January 2000
From Coupled Elementary Units to the Complexity of the Glass Transition journal September 2010
Perspective: Supercooled liquids and glasses journal August 2012
Translational and rotational dynamics of high and low density TIP4P/2005 water journal June 2019
Supercooled liquids for pedestrians journal June 2009
Homogeneous ice nucleation rates and crystallization kinetics in transiently-heated, supercooled water films from 188 K to 230 K journal May 2019
On the time required to freeze water journal December 2016
Entropy-driven liquid–liquid separation in supercooled water journal October 2012
Metastable liquid–liquid transition in a molecular model of water journal June 2014
Logarithmic Kinetics of the Amorphous-Amorphous Transformations in SiO 2 and GeO 2 Glasses under High Pressure journal February 1998
The relationship between liquid, supercooled and glassy water journal November 1998
Direct Experimental Evidence of a Growing Length Scale Accompanying the Glass Transition journal December 2005
The violation of the Stokes-Einstein relation in supercooled water journal August 2006
Water: A Tale of Two Liquids journal April 2016
The fragile-to-strong dynamic crossover transition in confined water: nuclear magnetic resonance results journal April 2006
Spatial Heterogeneities in Structural Temperature Cause Kovacs’ Expansion Gap Paradox in Aging of Glasses journal March 2020
Irreversible reorganization in a supercooled liquid originates from localized soft modes journal July 2008
Temperature Dependence of Inhomogeneous Broadening:  On the Meaning of Isosbestic Points journal October 2005

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