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dc.contributor.authorFitzner, Martinen
dc.contributor.authorSosso, Gabriele Cen
dc.contributor.authorCox, Stephenen
dc.contributor.authorMichaelides, Angelosen
dc.date.accessioned2019-05-03T23:30:34Z
dc.date.available2019-05-03T23:30:34Z
dc.date.issued2019-02en
dc.identifier.issn0027-8424
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/292330
dc.description.abstractWhen an ice crystal is born from liquid water, two key changes occur: (i) The molecules order and (ii) the mobility of the molecules drops as they adopt their lattice positions. Most research on ice nucleation (and crystallization in general) has focused on understanding the former with less attention paid to the latter. However, supercooled water exhibits fascinating and complex dynamical behavior, most notably dynamical heterogeneity (DH), a phenomenon where spatially separated domains of relatively mobile and immobile particles coexist. Strikingly, the microscopic connection between the DH of water and the nucleation of ice has yet to be unraveled directly at the molecular level. Here we tackle this issue via computer simulations which reveal that (i) ice nucleation occurs in low-mobility regions of the liquid, (ii) there is a dynamical incubation period in which the mobility of the molecules drops before any ice-like ordering, and (iii) ice-like clusters cause arrested dynamics in surrounding water molecules. With this we establish a clear connection between dynamics and nucleation. We anticipate that our findings will pave the way for the examination of the role of dynamical heterogeneities in heterogeneous and solution-based nucleation.
dc.format.mediumPrint-Electronicen
dc.languageengen
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.titleIce is born in low-mobility regions of supercooled liquid water.en
dc.typeArticle
prism.endingPage2014
prism.issueIdentifier6en
prism.publicationDate2019en
prism.publicationNameProceedings of the National Academy of Sciences of the United States of Americaen
prism.startingPage2009
prism.volume116en
dc.identifier.doi10.17863/CAM.39481
dcterms.dateAccepted2018-12-04en
rioxxterms.versionofrecord10.1073/pnas.1817135116en
rioxxterms.versionVoR
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserveden
rioxxterms.licenseref.startdate2019-02en
dc.contributor.orcidFitzner, Martin [0000-0001-6790-4301]
dc.contributor.orcidSosso, Gabriele C [0000-0002-6156-7399]
dc.contributor.orcidCox, Stephen [0000-0003-2708-8711]
dc.contributor.orcidMichaelides, Angelos [0000-0002-9169-169X]
dc.identifier.eissn1091-6490
rioxxterms.typeJournal Article/Reviewen


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Attribution-NonCommercial-NoDerivatives 4.0 International
Except where otherwise noted, this item's licence is described as Attribution-NonCommercial-NoDerivatives 4.0 International