Continuous melting through a hexatic phase in confined bilayer water

Liquid water is not only of obvious importance but also extremely intriguing, displaying many anomalies that still challenge our understanding of such an a priori simple system. The same is true when looking at nanoconfined water: The liquid between constituents in a cell is confined to such dimensi...

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Autores: Zubeltzu Sesé, Jon, Corsetti, Fabiano, Fernández Serra, Mariví, Artacho Cortés, Emilio
Formato: artículo
Fecha de publicación:2016
País:España
Recursos:Universidad del País Vasco
Repositorio:Addi. Archivo Digital para la Docencia y la Investigación
OAI Identifier:oai:addi.ehu.eus:10810/65826
Acesso em linha:http://hdl.handle.net/10810/65826
Access Level:acceso abierto
Palavra-chave:confinement
liquid-solid phase transition
liquids
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spelling Continuous melting through a hexatic phase in confined bilayer waterZubeltzu Sesé, JonCorsetti, FabianoFernández Serra, MarivíArtacho Cortés, Emilioconfinementliquid-solid phase transitionliquidsLiquid water is not only of obvious importance but also extremely intriguing, displaying many anomalies that still challenge our understanding of such an a priori simple system. The same is true when looking at nanoconfined water: The liquid between constituents in a cell is confined to such dimensions, and there is already evidence that such water can behave very differently from its bulk counterpart. A striking finding has been reported from computer simulations for two-dimensionally confined water: The liquid displays continuous or discontinuous melting depending on its density. In order to understand this behavior, we have analyzed the melting exhibited by a bilayer of nanoconfined water by means of molecular dynamics simulations. At high density we observe the continuous melting to be related to the phase change of the oxygens only, with the hydrogens remaining liquidlike throughout. Moreover, we find an intermediate hexatic phase for the oxygens between the liquid and a triangular solid ice phase, following the Kosterlitz-Thouless-Halperin-Nelson-Young theory for two-dimensional melting. The liquid itself tends to maintain the local structure of the triangular ice, with its two layers being strongly correlated yet with very slow exchange of matter. The decoupling in the behavior of the oxygens and hydrogens gives rise to a regime in which the complexity of water seems to disappear, resulting in what resembles a simple monoatomic liquid. This intrinsic tendency of our simulated water may be useful for understanding novel behaviors in other confined and interfacial water systems.This work was partly funded by Grant No. FIS2012- 37549-C05 from the Spanish Ministry of Economy and competitiveness and Grant No. Exp. 97/14 (Wet Nanoscopy) from the Programa Red Guipuzcoana de Ciencia, Tecnolog´ıa e Innovacion, Diputaci ´ on Foral de Gipuzkoa. We thank Jos ´ e M. ´ Soler and Pablo Aguado for useful discussions. The calculations were performed on the Arina HPC cluster (Universidad del Pa´ıs Vasco/Euskal Herriko Unibertsitatea, Spain) and MareNostrum (Barcelona Supercomputing Center). SGIker (UPV/EHU, MICINN, GV/EJ, ERDF, and ESF) support is gratefully acknowledged.APS202420242016info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10810/65826reponame:Addi. Archivo Digital para la Docencia y la Investigacióninstname:Universidad del País VascoInglésinfo:eu-repo/grantAgreement/MINECO/FIS2012-37549-C05/https://journals.aps.org/pre/abstract/10.1103/PhysRevE.93.062137info:eu-repo/semantics/openAccess© 2016 American Physical Societyoai:addi.ehu.eus:10810/658262026-06-18T09:23:17Z
dc.title.none.fl_str_mv Continuous melting through a hexatic phase in confined bilayer water
title Continuous melting through a hexatic phase in confined bilayer water
spellingShingle Continuous melting through a hexatic phase in confined bilayer water
Zubeltzu Sesé, Jon
confinement
liquid-solid phase transition
liquids
title_short Continuous melting through a hexatic phase in confined bilayer water
title_full Continuous melting through a hexatic phase in confined bilayer water
title_fullStr Continuous melting through a hexatic phase in confined bilayer water
title_full_unstemmed Continuous melting through a hexatic phase in confined bilayer water
title_sort Continuous melting through a hexatic phase in confined bilayer water
dc.creator.none.fl_str_mv Zubeltzu Sesé, Jon
Corsetti, Fabiano
Fernández Serra, Mariví
Artacho Cortés, Emilio
author Zubeltzu Sesé, Jon
author_facet Zubeltzu Sesé, Jon
Corsetti, Fabiano
Fernández Serra, Mariví
Artacho Cortés, Emilio
author_role author
author2 Corsetti, Fabiano
Fernández Serra, Mariví
Artacho Cortés, Emilio
author2_role author
author
author
dc.subject.none.fl_str_mv confinement
liquid-solid phase transition
liquids
topic confinement
liquid-solid phase transition
liquids
description Liquid water is not only of obvious importance but also extremely intriguing, displaying many anomalies that still challenge our understanding of such an a priori simple system. The same is true when looking at nanoconfined water: The liquid between constituents in a cell is confined to such dimensions, and there is already evidence that such water can behave very differently from its bulk counterpart. A striking finding has been reported from computer simulations for two-dimensionally confined water: The liquid displays continuous or discontinuous melting depending on its density. In order to understand this behavior, we have analyzed the melting exhibited by a bilayer of nanoconfined water by means of molecular dynamics simulations. At high density we observe the continuous melting to be related to the phase change of the oxygens only, with the hydrogens remaining liquidlike throughout. Moreover, we find an intermediate hexatic phase for the oxygens between the liquid and a triangular solid ice phase, following the Kosterlitz-Thouless-Halperin-Nelson-Young theory for two-dimensional melting. The liquid itself tends to maintain the local structure of the triangular ice, with its two layers being strongly correlated yet with very slow exchange of matter. The decoupling in the behavior of the oxygens and hydrogens gives rise to a regime in which the complexity of water seems to disappear, resulting in what resembles a simple monoatomic liquid. This intrinsic tendency of our simulated water may be useful for understanding novel behaviors in other confined and interfacial water systems.
publishDate 2016
dc.date.none.fl_str_mv 2016
2024
2024
dc.type.none.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10810/65826
url http://hdl.handle.net/10810/65826
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv info:eu-repo/grantAgreement/MINECO/FIS2012-37549-C05/
https://journals.aps.org/pre/abstract/10.1103/PhysRevE.93.062137
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
© 2016 American Physical Society
eu_rights_str_mv openAccess
rights_invalid_str_mv © 2016 American Physical Society
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv APS
publisher.none.fl_str_mv APS
dc.source.none.fl_str_mv reponame:Addi. Archivo Digital para la Docencia y la Investigación
instname:Universidad del País Vasco
instname_str Universidad del País Vasco
reponame_str Addi. Archivo Digital para la Docencia y la Investigación
collection Addi. Archivo Digital para la Docencia y la Investigación
repository.name.fl_str_mv
repository.mail.fl_str_mv
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