Kinetically Controlled Two-Step Amorphization and Amorphous-Amorphous Transition in Ice

Lin, Chuanlong; Yong, Xue; Tse, John S.; Smith, Jesse S.; Sinogeikin, Stanislav V.; Kenney-Benson, Curtis; Shen, Guoyin

doi:10.1103/PhysRevLett.119.135701

Kinetically Controlled Two-Step Amorphization and Amorphous-Amorphous Transition in Ice

Journal Article · Fri Sep 01 04:00:00 EDT 2017 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.119.135701· OSTI ID:1397299

Lin, Chuanlong; Yong, Xue; Tse, John S.; Smith, Jesse S.; Sinogeikin, Stanislav V.; Kenney-Benson, Curtis; Shen, Guoyin

We report the results of in situ structural characterization of the amorphization of crystalline ice Ih under compression and the relaxation of high-density amorphous (HDA) ice under decompression at temperatures between 96 and 160 K by synchrotron x-ray diffraction. The results show that ice Ih transforms to an intermediate crystalline phase at 100 K prior to complete amorphization, which is supported by molecular dynamics calculations. The phase transition pathways show clear temperature dependence: direct amorphization without an intermediate phase is observed at 133 K, while at 145 K a direct Ih-to-IX transformation is observed; decompression of HDA shows a transition to low-density amorphous ice at 96 K and ~ 1 Pa , to ice Ic at 135 K and to ice IX at 145 K. These observations show that the amorphization of compressed ice Ih and the recrystallization of decompressed HDA are strongly dependent on temperature and controlled by kinetic barriers. Pressure-induced amorphous ice is an intermediate state in the phase transition from the connected H-bond water network in low pressure ices to the independent and interpenetrating H-bond network of high-pressure ices.

Research Organization:: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)

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

OSTI ID:: 1397299

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 13 Vol. 119; ISSN 0031-9007; ISSN PRLTAO

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: ENGLISH

References (61)

Temperature dependence of the pressure-induced amorphization of ice I h studied by high-pressure neutron diffraction to 30 K Strässle, Thierry; Caviezel, Andrin; Padmanabhan, Balasubramanian Physical Review B, Vol. 82, Issue 9 https://doi.org/10.1103/PhysRevB.82.094103	journal	September 2010
DFT-assisted interpretation of the Raman spectra of hydrogen-ordered ice XV: Raman spectra of hydrogen-ordered ice XV Whale, Thomas F.; Clark, Stewart J.; Finney, John L. Journal of Raman Spectroscopy, Vol. 44, Issue 2 https://doi.org/10.1002/jrs.4170	journal	September 2012
Solid-Solid Phase Transformation via Virtual Melting Significantly Below the Melting Temperature Levitas, Valery I.; Henson, Bryan F.; Smilowitz, Laura B. Physical Review Letters, Vol. 92, Issue 23 https://doi.org/10.1103/PhysRevLett.92.235702	journal	June 2004
The laser micro-machining system for diamond anvil cell experiments and general precision machining applications at the High Pressure Collaborative Access Team Hrubiak, Rostislav; Sinogeikin, Stanislav; Rod, Eric Review of Scientific Instruments, Vol. 86, Issue 7 https://doi.org/10.1063/1.4926889	journal	July 2015
Pressure transmitting medium Daphne 7474 solidifying at 3.7 GPa at room temperature Murata, Keizo; Yokogawa, Keiichi; Yoshino, Harukazu Review of Scientific Instruments, Vol. 79, Issue 8 https://doi.org/10.1063/1.2964117	journal	August 2008
Van der Waals Density Functional for General Geometries Dion, M.; Rydberg, H.; Schröder, E. Physical Review Letters, Vol. 92, Issue 24 https://doi.org/10.1103/PhysRevLett.92.246401	journal	June 2004
A new structural relaxation pathway of low-density amorphous ice Shephard, Jacob J.; Klotz, Stefan; Vickers, Martin The Journal of Chemical Physics, Vol. 144, Issue 20 https://doi.org/10.1063/1.4951013	journal	May 2016
The mechanisms for pressure-induced amorphization of ice Ih Tse, J. S.; Klug, D. D.; Tulk, C. A. Nature, Vol. 400, Issue 6745 https://doi.org/10.1038/23216	journal	August 1999
DL_POLY: Application to molecular simulation Smith, W.; Yong, C. W.; Rodger, P. M. Molecular Simulation, Vol. 28, Issue 5 https://doi.org/10.1080/08927020290018769	journal	May 2002
Two-dimensional detector software: From real detector to idealised image or two-theta scan Hammersley, A. P.; Svensson, S. O.; Hanfland, M. High Pressure Research, Vol. 14, Issue 4-6, p. 235-248 https://doi.org/10.1080/08957959608201408	journal	January 1996
Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions Mao, H. K.; Xu, J.; Bell, P. M. Journal of Geophysical Research, Vol. 91, Issue B5, p. 4673-4676 https://doi.org/10.1029/JB091iB05p04673	journal	January 1986
A smooth particle mesh Ewald method Essmann, Ulrich; Perera, Lalith; Berkowitz, Max L. The Journal of Chemical Physics, Vol. 103, Issue 19 https://doi.org/10.1063/1.470117	journal	November 1995
An apparently first-order transition between two amorphous phases of ice induced by pressure Mishima, O.; Calvert, L. D.; Whalley, E. Nature, Vol. 314, Issue 6006 https://doi.org/10.1038/314076a0	journal	March 1985
A potential model for the study of ices and amorphous water: TIP4P/Ice Abascal, J. L. F.; Sanz, E.; García Fernández, R. The Journal of Chemical Physics, Vol. 122, Issue 23 https://doi.org/10.1063/1.1931662	journal	June 2005
Relaxation effects in low density amorphous ice: Two distinct structural states observed by neutron diffraction Winkel, K.; Bowron, D. T.; Loerting, T. The Journal of Chemical Physics, Vol. 130, Issue 20 https://doi.org/10.1063/1.3139007	journal	May 2009
Reversible pressure-induced crystal-amorphous structural transformation in ice Ih English, Niall J.; Tse, John S. Chemical Physics Letters, Vol. 609 https://doi.org/10.1016/j.cplett.2014.06.026	journal	August 2014
Pressure-induced amorphization of crystalline silica Hemley, R. J.; Jephcoat, A. P.; Mao, H. K. Nature, Vol. 334, Issue 6177 https://doi.org/10.1038/334052a0	journal	July 1988
Colloquium : Water’s controversial glass transitions Amann-Winkel, Katrin; Böhmer, Roland; Fujara, Franz Reviews of Modern Physics, Vol. 88, Issue 1 https://doi.org/10.1103/RevModPhys.88.011002	journal	February 2016
Structures of High and Low Density Amorphous Ice by Neutron Diffraction Finney, J. L.; Hallbrucker, A.; Kohl, I. Physical Review Letters, Vol. 88, Issue 22 https://doi.org/10.1103/PhysRevLett.88.225503	journal	May 2002
Structure of a New Dense Amorphous Ice Finney, J. L.; Bowron, D. T.; Soper, A. K. Physical Review Letters, Vol. 89, Issue 20 https://doi.org/10.1103/PhysRevLett.89.205503	journal	October 2002
Amorphous Ice: Stepwise Formation of Very-High-Density Amorphous Ice from Low-Density Amorphous Ice at 125 K Loerting, Thomas; Schustereder, Werner; Winkel, Katrin Physical Review Letters, Vol. 96, Issue 2 https://doi.org/10.1103/PhysRevLett.96.025702	journal	January 2006
New high-pressure transformation in α-quartz Kingma, Kathleen J.; Hemley, Russell J.; Mao, Ho-kwang Physical Review Letters, Vol. 70, Issue 25 https://doi.org/10.1103/PhysRevLett.70.3927	journal	June 1993
Structure of High-Density Amorphous Ice under Pressure Klotz, S.; Hamel, G.; Loveday, J. S. Physical Review Letters, Vol. 89, Issue 28 https://doi.org/10.1103/PhysRevLett.89.285502	journal	December 2002
Lattice constants and thermal expansion of H ₂ O and D ₂ O ice I h between 10 and 265 K Röttger, K.; Endriss, A.; Ihringer, J. Acta Crystallographica Section B Structural Science, Vol. 50, Issue 6 https://doi.org/10.1107/S0108768194004933	journal	December 1994
Phonon Dispersion of Ice under Pressure Strässle, Th.; Saitta, A. M.; Klotz, S. Physical Review Letters, Vol. 93, Issue 22 https://doi.org/10.1103/PhysRevLett.93.225901	journal	November 2004
A second distinct structural “state” of high-density amorphous ice at 77 K and 1 bar Loerting, Thomas; Salzmann, Christoph; Kohl, Ingrid Physical Chemistry Chemical Physics, Vol. 3, Issue 24 https://doi.org/10.1039/b108676f	journal	December 2001
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
Crystal-Amorphous and Crystal-Crystal Phase Transformations via Virtual Melting Levitas, Valery I. Physical Review Letters, Vol. 95, Issue 7 https://doi.org/10.1103/PhysRevLett.95.075701	journal	August 2005
EXPGUI , a graphical user interface for GSAS Toby, Brian H. Journal of Applied Crystallography, Vol. 34, Issue 2 https://doi.org/10.1107/S0021889801002242	journal	April 2001
Structural Studies of Several Distinct Metastable Forms of Amorphous Ice Tulk, C. A. Science, Vol. 297, Issue 5585 https://doi.org/10.1126/science.1074178	journal	August 2002
Relationship between melting and amorphization of ice Mishima, Osamu Nature, Vol. 384, Issue 6609 https://doi.org/10.1038/384546a0	journal	December 1996
Memory Glass: An Amorphous Material Formed from AlPO4 Kruger, M. B.; Jeanloz, R. Science, Vol. 249, Issue 4969 https://doi.org/10.1126/science.249.4969.647	journal	August 1990
Ice XV: A New Thermodynamically Stable Phase of Ice Salzmann, Christoph G.; Radaelli, Paolo G.; Mayer, Erwin Physical Review Letters, Vol. 103, Issue 10 https://doi.org/10.1103/PhysRevLett.103.105701	journal	September 2009
Experimental Evidence for a Crossover between Two Distinct Mechanisms of Amorphization in Ice I h under Pressure Strässle, Thierry; Klotz, Stefan; Hamel, Gérard Physical Review Letters, Vol. 99, Issue 17 https://doi.org/10.1103/PhysRevLett.99.175501	journal	October 2007
Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures Santra, Biswajit; Klimeš, Jiří; Alfè, Dario Physical Review Letters, Vol. 107, Issue 18 https://doi.org/10.1103/PhysRevLett.107.185701	journal	October 2011
Nature of the Polyamorphic Transition in Ice under Pressure Klotz, S.; Strässle, Th.; Nelmes, R. J. Physical Review Letters, Vol. 94, Issue 2 https://doi.org/10.1103/PhysRevLett.94.025506	journal	January 2005
New transformations between crystalline and amorphous ice Hemley, R. J.; Chen, L. C.; Mao, H. K. Nature, Vol. 338, Issue 6217 https://doi.org/10.1038/338638a0	journal	April 1989
Effect of the damping function in dispersion corrected density functional theory Grimme, Stefan; Ehrlich, Stephan; Goerigk, Lars Journal of Computational Chemistry, Vol. 32, Issue 7 https://doi.org/10.1002/jcc.21759	journal	March 2011
Isobaric annealing of high-density amorphous ice between 0.3 and 1.9 GPa: in situ density values and structural changes Salzmann, Christoph G.; Loerting, Thomas; Klotz, Stefan Phys. Chem. Chem. Phys., Vol. 8, Issue 3 https://doi.org/10.1039/B510168A	journal	January 2006
Understanding water’s anomalies with locally favoured structures Russo, John; Tanaka, Hajime Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms4556	journal	April 2014
Crystalline Post-Quartz Phase in Silica at High Pressure Haines, J.; Léger, J. M.; Gorelli, F. Physical Review Letters, Vol. 87, Issue 15 https://doi.org/10.1103/PhysRevLett.87.155503	journal	September 2001
‘Melting ice’ I at 77 K and 10 kbar: a new method of making amorphous solids Mishima, O.; Calvert, L. D.; Whalley, E. Nature, Vol. 310, Issue 5976 https://doi.org/10.1038/310393a0	journal	August 1984
Vibrational Spectra of the Ices. Raman Spectra of Ice VI and Ice VII Marckmann, J. P.; Whalley, E. The Journal of Chemical Physics, Vol. 41, Issue 5 https://doi.org/10.1063/1.1726088	journal	September 1964
Ultrasonic study of the nonequilibrium pressure-temperature diagram of H 2 O ice Gromnitskaya, E. L.; Stal’gorova, O. V.; Brazhkin, V. V. Physical Review B, Vol. 64, Issue 9 https://doi.org/10.1103/PhysRevB.64.094205	journal	August 2001
Elastic Properties of New Pressure-Transmitting Medium Daphne 7474 under High Pressure Sasaki, Shigeo; Kato, Seiichi; Kume, Tetsuji Japanese Journal of Applied Physics, Vol. 49, Issue 10 https://doi.org/10.1143/JJAP.49.106702	journal	October 2010
Online remote control systems for static and dynamic compression and decompression using diamond anvil cells Sinogeikin, Stanislav V.; Smith, Jesse S.; Rod, Eric Review of Scientific Instruments, Vol. 86, Issue 7 https://doi.org/10.1063/1.4926892	journal	July 2015
Pressure amorphized ices – an atomistic perspective Tse, John S.; Klug, Dennis D. Physical Chemistry Chemical Physics, Vol. 14, Issue 23 https://doi.org/10.1039/c2cp40201g	journal	January 2012
Unit cells for the simulation of hexagonal ice Hayward, J. A.; Reimers, J. R. The Journal of Chemical Physics, Vol. 106, Issue 4 https://doi.org/10.1063/1.473300	journal	January 1997
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Grimme, Stefan; Antony, Jens; Ehrlich, Stephan The Journal of Chemical Physics, Vol. 132, Issue 15 https://doi.org/10.1063/1.3382344	journal	April 2010
Formation and annealing of cubic ice: I. Modelling of stacking faults Hansen, T. C.; Koza, M. M.; Kuhs, W. F. Journal of Physics: Condensed Matter, Vol. 20, Issue 28 https://doi.org/10.1088/0953-8984/20/28/285104	journal	June 2008
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
Mechanical instability in ice I _h . A mechanism for pressure‐induced amorphization Tse, John S. The Journal of Chemical Physics, Vol. 96, Issue 7 https://doi.org/10.1063/1.462732	journal	April 1992
Van der Waals density functionals applied to solids Klimeš, Jiří; Bowler, David R.; Michaelides, Angelos Physical Review B, Vol. 83, Issue 19 https://doi.org/10.1103/PhysRevB.83.195131	journal	May 2011
Structural transitions in amorphous H ₂ O and D ₂ O: the effect of temperature Winkel, Katrin; Bauer, Marion; Mayer, Erwin Journal of Physics: Condensed Matter, Vol. 20, Issue 49 https://doi.org/10.1088/0953-8984/20/49/494212	journal	November 2008
Water: A Tale of Two Liquids Gallo, Paola; Amann-Winkel, Katrin; Angell, Charles Austen Chemical Reviews, Vol. 116, Issue 13 https://doi.org/10.1021/acs.chemrev.5b00750	journal	April 2016
Semiempirical GGA-type density functional constructed with a long-range dispersion correction Grimme, Stefan Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799 https://doi.org/10.1002/jcc.20495	journal	January 2006
Annealed high-density amorphous ice under pressure Nelmes, Richard J.; Loveday, John S.; Strässle, Thierry Nature Physics, Vol. 2, Issue 6 https://doi.org/10.1038/nphys313	journal	May 2006
Developments in time-resolved high pressure x-ray diffraction using rapid compression and decompression Smith, Jesse S.; Sinogeikin, Stanislav V.; Lin, Chuanlong Review of Scientific Instruments, Vol. 86, Issue 7 https://doi.org/10.1063/1.4926887	journal	July 2015
Investigation of the intermediate- and high-density forms of amorphous ice by molecular dynamics calculations and diffraction experiments Tse, John S.; Klug, Dennis D.; Guthrie, Malcolm Physical Review B, Vol. 71, Issue 21 https://doi.org/10.1103/PhysRevB.71.214107	journal	June 2005
In situ neutron diffraction studies of high density amorphous ice under pressure Klotz, Stefan; Strässle, Th; Saitta, A. M. Journal of Physics: Condensed Matter, Vol. 17, Issue 11 https://doi.org/10.1088/0953-8984/17/11/029	journal	March 2005
Pressure-induced coordination changes in crystalline and vitreous GeO 2 Itie, J. P.; Polian, A.; Calas, G. Physical Review Letters, Vol. 63, Issue 4 https://doi.org/10.1103/PhysRevLett.63.398	journal	July 1989

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