Nature of polyamorphic transformations in H2O under isothermal compression and decompression

Shen, Guoyin; Smith, Jesse S.; Kenney-Benson, Curtis

doi:10.1103/PhysRevMaterials.3.073404

Title: Nature of polyamorphic transformations in $H_{2} O$ under isothermal compression and decompression

Journal Article · Wed Jul 31 00:00:00 EDT 2019 · Physical Review Materials

DOI:https://doi.org/10.1103/PhysRevMaterials.3.073404· OSTI ID:1560071

Shen, Guoyin ^[1]; Smith, Jesse S. ^[1]; Kenney-Benson, Curtis ^[1]

Argonne National Lab. (ANL), Argonne, IL (United States)

In this paper, we report polyamorphic transformations of H₂O under isothermal compression and decompression at 150 K, observed by in situ x-ray diffraction. Detailed structural information across the transformations among low-, high-, and very high-density amorphs (LDA, HDA, VHDA) reveals the mechanisms, the reversibility, and (dis)continuity of the transformations. During isothermal (de)compression, the polyamorphic transformations are characterized by a sharp and reversible LDA-VHDA transformation, with an HDA-like form (referred to as HDA’) appearing as an intermediate state. The LDA-VHDA transformation is found to occur in two steps: a discontinuous transition between LDA and HDA’ and a continuous change within HDA’ involving structural reconfigurations and finally converging to VHDA. Both LDA and VHDA are found to be structurally stable showing elastic behavior under (de)compression, while HDA’ is structurally unstable. Lastly, possible relations of these observations to low- and high-density liquids are discussed.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

Grant/Contract Number:: AC02-06CH11357; FG02-99ER45775

OSTI ID:: 1560071

Alternate ID(s):: OSTI ID: 1545957

Journal Information:: Physical Review Materials, Vol. 3, Issue 7; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 4 works

Citation information provided by
Web of Science

References (42)

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
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
How many amorphous ices are there? Loerting, Thomas; Winkel, Katrin; Seidl, Markus Physical Chemistry Chemical Physics, Vol. 13, Issue 19 https://doi.org/10.1039/c0cp02600j	journal	January 2011
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
‘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
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
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
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
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
Relation between the High Density Phase and the Very-High Density Phase of Amorphous Solid Water Giovambattista, Nicolas; Stanley, H. Eugene; Sciortino, Francesco Physical Review Letters, Vol. 94, Issue 10 https://doi.org/10.1103/PhysRevLett.94.107803	journal	March 2005
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
Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature Sellberg, J. A.; Huang, C.; McQueen, T. A. Nature, Vol. 510, Issue 7505 https://doi.org/10.1038/nature13266	journal	June 2014
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
Nature of Amorphous Polymorphism of Water Koza, M. M.; Geil, B.; Winkel, K. Physical Review Letters, Vol. 94, Issue 12 https://doi.org/10.1103/PhysRevLett.94.125506	journal	April 2005
In situ x-ray diffraction study of polyamorphism in H ₂ O under isothermal compression and decompression Shen, Guoyin; Smith, Jesse S.; Kenney-Benson, Curtis The Journal of Chemical Physics, Vol. 150, Issue 24 https://doi.org/10.1063/1.5100958	journal	June 2019
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
Relationship between melting and amorphization of ice Mishima, Osamu Nature, Vol. 384, Issue 6609 https://doi.org/10.1038/384546a0	journal	December 1996
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
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
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
X-ray Scattering and O–O Pair-Distribution Functions of Amorphous Ices Mariedahl, Daniel; Perakis, Fivos; Späh, Alexander The Journal of Physical Chemistry B, Vol. 122, Issue 30 https://doi.org/10.1021/acs.jpcb.8b04823	journal	July 2018
Evolution of the structure of amorphous ice: From low-density amorphous through high-density amorphous to very high-density amorphous ice Martoňák, R.; Donadio, D.; Parrinello, M. The Journal of Chemical Physics, Vol. 122, Issue 13 https://doi.org/10.1063/1.1870852	journal	April 2005
Experimental evidence of low-density liquid water upon rapid decompression Lin, Chuanlong; Smith, Jesse S.; Sinogeikin, Stanislav V. Proceedings of the National Academy of Sciences, Vol. 115, Issue 9 https://doi.org/10.1073/pnas.1716310115	journal	February 2018
Direct transformation of ice VII′ to low-density amorphous ice Yoshimura, Yukihiro; Mao, Ho-kwang; Hemley, Russell J. Chemical Physics Letters, Vol. 420, Issue 4-6 https://doi.org/10.1016/j.cplett.2006.01.024	journal	March 2006
The glass–liquid transition of hyperquenched water Johari, G. P.; Hallbrucker, Andreas; Mayer, Erwin Nature, Vol. 330, Issue 6148 https://doi.org/10.1038/330552a0	journal	December 1987
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
Experimental study of the polyamorphism of water. I. The isobaric transitions from amorphous ices to LDA at 4 MPa Handle, Philip H.; Loerting, Thomas The Journal of Chemical Physics, Vol. 148, Issue 12 https://doi.org/10.1063/1.5019413	journal	March 2018
Experimental study of the polyamorphism of water. II. The isobaric transitions between HDA and VHDA at intermediate and high pressures Handle, Philip H.; Loerting, Thomas The Journal of Chemical Physics, Vol. 148, Issue 12 https://doi.org/10.1063/1.5019414	journal	March 2018
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
Glass-liquid transition and the enthalpy of devitrification of annealed vapor-deposited amorphous solid water: a comparison with hyperquenched glassy water Hallbrucker, Andreas; Mayer, Erwin; Johari, G. P. The Journal of Physical Chemistry, Vol. 93, Issue 12 https://doi.org/10.1021/j100349a061	journal	June 1989
Water polyamorphism: Reversibility and (dis)continuity Winkel, Katrin; Elsaesser, Michael S.; Mayer, Erwin The Journal of Chemical Physics, Vol. 128, Issue 4 https://doi.org/10.1063/1.2830029	journal	January 2008
Glass-liquid transition of water at high pressure Andersson, O. Proceedings of the National Academy of Sciences, Vol. 108, Issue 27 https://doi.org/10.1073/pnas.1016520108	journal	June 2011
Polarized Raman spectroscopic study of relaxed high density amorphous ices under pressure Suzuki, Yoshiharu; Tominaga, Yasunori The Journal of Chemical Physics, Vol. 133, Issue 16 https://doi.org/10.1063/1.3505045	journal	October 2010
Reversible first‐order transition between two H ₂ O amorphs at ∼0.2 GPa and ∼135 K Mishima, Osamu The Journal of Chemical Physics, Vol. 100, Issue 8 https://doi.org/10.1063/1.467103	journal	April 1994
The glass transition in high-density amorphous ice Loerting, Thomas; Fuentes-Landete, Violeta; Handle, Philip H. Journal of Non-Crystalline Solids, Vol. 407 https://doi.org/10.1016/j.jnoncrysol.2014.09.003	journal	January 2015
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
Diffusive dynamics during the high-to-low density transition in amorphous ice Perakis, Fivos; Amann-Winkel, Katrin; Lehmkühler, Felix Proceedings of the National Academy of Sciences, Vol. 114, Issue 31 https://doi.org/10.1073/pnas.1705303114	journal	June 2017
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
Modeling the polymorphic transformations in amorphous solid ice Belosludov, Rodion V.; Gets, Kirill V.; Subbotin, Oleg S. Journal of Alloys and Compounds, Vol. 707 https://doi.org/10.1016/j.jallcom.2016.12.197	journal	June 2017
Dielectric properties of high-density amorphous ice under pressure Andersson, Ove; Inaba, Akira Physical Review B, Vol. 74, Issue 18 https://doi.org/10.1103/PhysRevB.74.184201	journal	November 2006
Diffusive dynamics during the high-to-low density transition in amorphous ice Perakis, Fivos; Amann-Winkel, Katrin; Lehmkühler, Felix Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2017-08683	text	January 2017
Evolution of the structure of amorphous ice - from low-density amorphous (LDA) through high-density amorphous (HDA) to very high-density amorphous (VHDA) ice Martonak, R.; Donadio, D.; Parrinello, M. arXiv https://doi.org/10.48550/arxiv.cond-mat/0501543	text	January 2005

Figures / Tables (3)

FIG. 1(p. 3)

FIG. 2(p. 4)

FIG. 3(p. 5)

Similar Records

In situ x-ray diffraction study of polyamorphism in H₂O under isothermal compression and decompression

Journal Article · Fri Jun 28 00:00:00 EDT 2019 · Journal of Chemical Physics · OSTI ID:1560071

Shen, Guoyin; Smith, Jesse S.; Kenney-Benson, Curtis; +1 more

Pressure-Induced Amorphization and Polyamorphism in One-Dimensional Single-Crystal TiO[subscript 2] Nanomaterials

Journal Article · Thu Feb 11 00:00:00 EST 2010 · J. Phys. Chem. Lett. · OSTI ID:1560071

Li, Quanjun; Liu, Bingbing; Wang, Lin; +10 more

Pressure-induced Amorphization and Polyamorphism in One-Dimensional Single Crystal TiO2 Nanomaterials

Journal Article · Thu Jan 01 00:00:00 EST 2009 · The Journal of Physical Chemistry Letters · OSTI ID:1560071

Li, Q; Liu, B; Wang, L; +7 more

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY

Title: Nature of polyamorphic transformations in H 2 O under isothermal compression and decompression

Citation Formats

References (42)

Figures / Tables (3)

Similar Records

Related Subjects

Title: Nature of polyamorphic transformations in $H_{2} O$ under isothermal compression and decompression