Advances in the study of supercooled water

Paola Gallo; Johannes Bachler; Livia E. Bove; Roland Böhmer; Gaia Camisasca; Luis E. Coronas; Horacio R. Corti; Ingrid de Almeida Ribeiro; Maurice de Koning; Giancarlo Franzese; Violeta Fuentes-Landete; Catalin Gainaru; Thomas Loerting; Joan Manuel Montes de Oca; Peter H. Poole; Mauro Rovere; Francesco Sciortino; Christina M. Tonauer; Gustavo A. Appignanesi

doi:10.1140/epje/s10189-021-00139-1

Advances in the study of supercooled water

Paola Gallo, Johannes Bachler, Livia E. Bove, Roland Böhmer, Gaia Camisasca, Luis E. Coronas, Horacio R. Corti, Ingrid de Almeida Ribeiro, Maurice de Koning, Giancarlo Franzese, Violeta Fuentes-Landete, Catalin Gainaru, Thomas Loerting, Joan Manuel Montes de Oca, Peter H. Poole, Mauro Rovere, Francesco Sciortino, Christina M. Tonauer, Gustavo A. Appignanesi

Research output: Contribution to journal › Review article › peer-review

62 Scopus citations

Abstract

Abstract: In this review, we report recent progress in the field of supercooled water. Due to its uniqueness, water presents numerous anomalies with respect to most simple liquids, showing polyamorphism both in the liquid and in the glassy state. We first describe the thermodynamic scenarios hypothesized for the supercooled region and in particular among them the liquid–liquid critical point scenario that has so far received more experimental evidence. We then review the most recent structural indicators, the two-state model picture of water, and the importance of cooperative effects related to the fact that water is a hydrogen-bonded network liquid. We show throughout the review that water’s peculiar properties come into play also when water is in solution, confined, and close to biological molecules. Concerning dynamics, upon mild supercooling water behaves as a fragile glass former following the mode coupling theory, and it turns into a strong glass former upon further cooling. Connections between the slow dynamics and the thermodynamics are discussed. The translational relaxation times of density fluctuations show in fact the fragile-to-strong crossover connected to the thermodynamics arising from the existence of two liquids. When considering also rotations, additional crossovers come to play. Mobility–viscosity decoupling is also discussed in supercooled water and aqueous solutions. Finally, the polyamorphism of glassy water is considered through experimental and simulation results both in bulk and in salty aqueous solutions. Grains and grain boundaries are also discussed. Graphic abstract: [Figure not available: see fulltext.].

Original language	English
Article number	143
Journal	European Physical Journal E
Volume	44
Issue number	11
DOIs	https://doi.org/10.1140/epje/s10189-021-00139-1
State	Published - Nov 2021
Externally published	Yes

Funding

V.F.-L., J.B., C.M.T., C.G., R.B., and T.L. gratefully acknowledge financial support by the Austrian Science Fund (FWF, project I1392) and Deutsche Forschungsgemeinschaft (DFG, grant no. BO1301/12-1 and grant no. BO1301/15-1). J.B, V.F.-L., and C.M.T. are recipients of a DOC fellowship of the Austrian Academy of Sciences. L.E.C. and G.F. acknowledge support by Spanish grant PGC2018-099277-B-C22 (MCIN/AEI/10.13039/501100011033/ERDF “A way to make Europe”). L.E.C. acknowledges support by grant no. 5757200 (APIF_18_19 Universitat de Barcelona). G.F. acknowledges support by ICREA Foundation (ICREA Academia prize). I.d.A.R. and M.d.K. acknowledge support from CNPq, Fapesp grant 2016/23891-6 and the Center for Computing in Engineering & Sciences—Fapesp/Cepid no. 2013/08293-7. IdAR and MdK acknowledge the National Laboratory for Scientific Computing (LNCC/MCTI, Brazil) for providing HPC resources of the SDumont supercomputer. URL: http://sdumont.lncc.br. J.M.M.d.O., F.S., and G.A.A. acknowledge support from CONICET, UNS, and ANPCyT (PICT2015/1893 and PICT2017/3127). P.H.P. thanks NSERC Canada, ACENET, and Compute Canada for support. G.A.A. and H.R.C. acknowledge support from CONICET, UBA, and CNEA for organizing the 3rd International Workshop “Structure and Dynamics of Glassy, Supercooled and Nanoconfined Fluids,” Buenos Aires (Argentina), July 2019, which was the germ of this review work. V.F.-L., J.B., C.M.T., C.G., R.B., and T.L. gratefully acknowledge financial support by the Austrian Science Fund (FWF, project I1392) and Deutsche Forschungsgemeinschaft (DFG, grant no. BO1301/12-1 and grant no. BO1301/15-1). J.B, V.F.-L., and C.M.T. are recipients of a DOC fellowship of the Austrian Academy of Sciences. L.E.C. and G.F. acknowledge support by Spanish grant PGC2018-099277-B-C22 (MCIN/AEI/10.13039/501100011033/ERDF “A way to make Europe”). L.E.C. acknowledges support by grant no. 5757200 (APIF_18_19 Universitat de Barcelona). G.F. acknowledges support by ICREA Foundation (ICREA Academia prize). I.d.A.R. and M.d.K. acknowledge support from CNPq, Fapesp grant 2016/23891-6 and the Center for Computing in Engineering & Sciences—Fapesp/Cepid no. 2013/08293-7. IdAR and MdK acknowledge the National Laboratory for Scientific Computing (LNCC/MCTI, Brazil) for providing HPC resources of the SDumont supercomputer. URL: http://sdumont.lncc.br . J.M.M.d.O., F.S., and G.A.A. acknowledge support from CONICET, UNS, and ANPCyT (PICT2015/1893 and PICT2017/3127). P.H.P. thanks NSERC Canada, ACENET, and Compute Canada for support. G.A.A. and H.R.C. acknowledge support from CONICET, UBA, and CNEA for organizing the 3rd International Workshop “Structure and Dynamics of Glassy, Supercooled and Nanoconfined Fluids,” Buenos Aires (Argentina), July 2019, which was the germ of this review work.

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10.1140/epje/s10189-021-00139-1

Cite this

Gallo, P., Bachler, J., Bove, L. E., Böhmer, R., Camisasca, G., Coronas, L. E., Corti, H. R., de Almeida Ribeiro, I., de Koning, M., Franzese, G., Fuentes-Landete, V., Gainaru, C., Loerting, T., de Oca, J. M. M., Poole, P. H., Rovere, M., Sciortino, F., Tonauer, C. M., & Appignanesi, G. A. (2021). Advances in the study of supercooled water. European Physical Journal E, 44(11), Article 143. https://doi.org/10.1140/epje/s10189-021-00139-1

@article{0a755d3d89d640d1bdd44398a9817862,

title = "Advances in the study of supercooled water",

abstract = "Abstract: In this review, we report recent progress in the field of supercooled water. Due to its uniqueness, water presents numerous anomalies with respect to most simple liquids, showing polyamorphism both in the liquid and in the glassy state. We first describe the thermodynamic scenarios hypothesized for the supercooled region and in particular among them the liquid–liquid critical point scenario that has so far received more experimental evidence. We then review the most recent structural indicators, the two-state model picture of water, and the importance of cooperative effects related to the fact that water is a hydrogen-bonded network liquid. We show throughout the review that water{\textquoteright}s peculiar properties come into play also when water is in solution, confined, and close to biological molecules. Concerning dynamics, upon mild supercooling water behaves as a fragile glass former following the mode coupling theory, and it turns into a strong glass former upon further cooling. Connections between the slow dynamics and the thermodynamics are discussed. The translational relaxation times of density fluctuations show in fact the fragile-to-strong crossover connected to the thermodynamics arising from the existence of two liquids. When considering also rotations, additional crossovers come to play. Mobility–viscosity decoupling is also discussed in supercooled water and aqueous solutions. Finally, the polyamorphism of glassy water is considered through experimental and simulation results both in bulk and in salty aqueous solutions. Grains and grain boundaries are also discussed. Graphic abstract: [Figure not available: see fulltext.].",

author = "Paola Gallo and Johannes Bachler and Bove, {Livia E.} and Roland B{\"o}hmer and Gaia Camisasca and Coronas, {Luis E.} and Corti, {Horacio R.} and {de Almeida Ribeiro}, Ingrid and {de Koning}, Maurice and Giancarlo Franzese and Violeta Fuentes-Landete and Catalin Gainaru and Thomas Loerting and {de Oca}, {Joan Manuel Montes} and Poole, {Peter H.} and Mauro Rovere and Francesco Sciortino and Tonauer, {Christina M.} and Appignanesi, {Gustavo A.}",

note = "Publisher Copyright: {\textcopyright} 2021, The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature.",

year = "2021",

month = nov,

doi = "10.1140/epje/s10189-021-00139-1",

language = "English",

volume = "44",

journal = "European Physical Journal E",

issn = "1292-8941",

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Gallo, P, Bachler, J, Bove, LE, Böhmer, R, Camisasca, G, Coronas, LE, Corti, HR, de Almeida Ribeiro, I, de Koning, M, Franzese, G, Fuentes-Landete, V, Gainaru, C, Loerting, T, de Oca, JMM, Poole, PH, Rovere, M, Sciortino, F, Tonauer, CM & Appignanesi, GA 2021, 'Advances in the study of supercooled water', European Physical Journal E, vol. 44, no. 11, 143. https://doi.org/10.1140/epje/s10189-021-00139-1

TY - JOUR

T1 - Advances in the study of supercooled water

AU - Gallo, Paola

AU - Bachler, Johannes

AU - Bove, Livia E.

AU - Böhmer, Roland

AU - Camisasca, Gaia

AU - Coronas, Luis E.

AU - Corti, Horacio R.

AU - de Almeida Ribeiro, Ingrid

AU - de Koning, Maurice

AU - Franzese, Giancarlo

AU - Fuentes-Landete, Violeta

AU - Gainaru, Catalin

AU - Loerting, Thomas

AU - de Oca, Joan Manuel Montes

AU - Poole, Peter H.

AU - Rovere, Mauro

AU - Sciortino, Francesco

AU - Tonauer, Christina M.

AU - Appignanesi, Gustavo A.

PY - 2021/11

Y1 - 2021/11

N2 - Abstract: In this review, we report recent progress in the field of supercooled water. Due to its uniqueness, water presents numerous anomalies with respect to most simple liquids, showing polyamorphism both in the liquid and in the glassy state. We first describe the thermodynamic scenarios hypothesized for the supercooled region and in particular among them the liquid–liquid critical point scenario that has so far received more experimental evidence. We then review the most recent structural indicators, the two-state model picture of water, and the importance of cooperative effects related to the fact that water is a hydrogen-bonded network liquid. We show throughout the review that water’s peculiar properties come into play also when water is in solution, confined, and close to biological molecules. Concerning dynamics, upon mild supercooling water behaves as a fragile glass former following the mode coupling theory, and it turns into a strong glass former upon further cooling. Connections between the slow dynamics and the thermodynamics are discussed. The translational relaxation times of density fluctuations show in fact the fragile-to-strong crossover connected to the thermodynamics arising from the existence of two liquids. When considering also rotations, additional crossovers come to play. Mobility–viscosity decoupling is also discussed in supercooled water and aqueous solutions. Finally, the polyamorphism of glassy water is considered through experimental and simulation results both in bulk and in salty aqueous solutions. Grains and grain boundaries are also discussed. Graphic abstract: [Figure not available: see fulltext.].

AB - Abstract: In this review, we report recent progress in the field of supercooled water. Due to its uniqueness, water presents numerous anomalies with respect to most simple liquids, showing polyamorphism both in the liquid and in the glassy state. We first describe the thermodynamic scenarios hypothesized for the supercooled region and in particular among them the liquid–liquid critical point scenario that has so far received more experimental evidence. We then review the most recent structural indicators, the two-state model picture of water, and the importance of cooperative effects related to the fact that water is a hydrogen-bonded network liquid. We show throughout the review that water’s peculiar properties come into play also when water is in solution, confined, and close to biological molecules. Concerning dynamics, upon mild supercooling water behaves as a fragile glass former following the mode coupling theory, and it turns into a strong glass former upon further cooling. Connections between the slow dynamics and the thermodynamics are discussed. The translational relaxation times of density fluctuations show in fact the fragile-to-strong crossover connected to the thermodynamics arising from the existence of two liquids. When considering also rotations, additional crossovers come to play. Mobility–viscosity decoupling is also discussed in supercooled water and aqueous solutions. Finally, the polyamorphism of glassy water is considered through experimental and simulation results both in bulk and in salty aqueous solutions. Grains and grain boundaries are also discussed. Graphic abstract: [Figure not available: see fulltext.].

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DO - 10.1140/epje/s10189-021-00139-1

M3 - Review article

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SN - 1292-8941

VL - 44

JO - European Physical Journal E

JF - European Physical Journal E

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ER -

Advances in the study of supercooled water

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