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dc.contributor.author
Bermúdez Di Lorenzo, Aleida J.  
dc.contributor.author
Carignano, Marcelo A.  
dc.contributor.author
Pereyra, Rodolfo Guillermo  
dc.date.available
2018-07-04T14:08:50Z  
dc.date.issued
2015-07  
dc.identifier.citation
Bermúdez Di Lorenzo, Aleida J.; Carignano, Marcelo A.; Pereyra, Rodolfo Guillermo; A statistical study of heterogeneous nucleation of ice by molecular dynamics; Elsevier Science; Chemical Physics Letters; 635; 7-2015; 45-49  
dc.identifier.issn
0009-2614  
dc.identifier.uri
http://hdl.handle.net/11336/51152  
dc.description.abstract
Abstract We 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.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Elsevier Science  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/  
dc.subject
Heterogeneous Nucleation  
dc.subject
Molecular Dynamics  
dc.subject
Ice  
dc.subject.classification
Astronomía  
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Ciencias Físicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
A statistical study of heterogeneous nucleation of ice by molecular dynamics  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2018-07-03T21:53:03Z  
dc.journal.volume
635  
dc.journal.pagination
45-49  
dc.journal.pais
Países Bajos  
dc.journal.ciudad
Amsterdam  
dc.description.fil
Fil: Bermúdez Di Lorenzo, Aleida J.. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina  
dc.description.fil
Fil: Carignano, Marcelo A.. Qatar Environment and Energy Research Institute; Qatar  
dc.description.fil
Fil: Pereyra, Rodolfo Guillermo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina  
dc.journal.title
Chemical Physics Letters  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://dx.doi.org/10.1016/j.cplett.2015.06.032  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0009261415004510  

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