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A statistical study of heterogeneous nucleation of ice by molecular dynamics

dc.contributor.authorBermúdez Di Lorenzo, Aleida Josefina
dc.contributor.authorCarignano, Marcelo Andrés
dc.contributor.authorPereyra, Rodolfo Guillermo
dc.date.accessioned2022-07-13T14:51:58Z
dc.date.issued2015
dc.identifier.urihttp://hdl.handle.net/11086/27251
dc.description.abstractWe studied the stochastic nature of heterogeneous nucleation of supercooled liquid water by molecular dynamics simulations. The systems were composed of 768 molecules; M of them had their positions restricted forming a solid nucleus (INM) for M = 48, 56, 64, 72, 80 and 90 molecules, and the rest were arranged in liquid state. By using a statistical analysis, we determined the nucleation rate (jM) for systems formed with IN64, IN72, IN80 and IN90. These results are coherent with the stochastic hypothesis for heterogeneous nucleation and show a direct relationship between M and jM.en
dc.format.mediumImpreso
dc.language.isoenges
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International*
dc.rightsrestrictedAccess
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.sourceISSN: 0009-2614
dc.subjectHeterogeneous nucleationen
dc.subjectMolecular dynamicsen
dc.subjectIceen
dc.titleA statistical study of heterogeneous nucleation of ice by molecular dynamicsen
dc.typearticlees
dc.description.versionpublishedVersiones
dc.description.filFil: Bermúdez Di Lorenzo, Aleida Josefina. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina.es
dc.description.filFil: Carignano, Marcelo Andrés. Qatar Environment and Energy Research Institute; Qatar.es
dc.description.filFil: Pereyra, Rodolfo Guillermo. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina.es
dc.description.filFil: Pereyra, Rodolfo Guillermo. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina.es
dc.description.filFil: Pereyra, Rodolfo Guillermo. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Física Enrique Gaviola; Argentina.es
dc.journal.cityÁmsterdames
dc.journal.countryPaíses Bajoses
dc.journal.editorialElsevieres
dc.journal.pagination45-49es
dc.journal.referatoCon referato
dc.journal.titleChemical Physics Lettersen
dc.journal.volume635es
dc.description.fieldOtras Ciencias Físicas
dc.identifier.urlhttps://doi.org/10.1016/j.cplett.2015.06.032
dc.identifier.doihttps://doi.org/10.1016/j.cplett.2015.06.032


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