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dc.contributor.authorSampayo, José G.
dc.contributor.authorMalijevský, Alexandr
dc.contributor.authorMüller, Erich A.
dc.contributor.authorMiguel Agustino, Enrique de 
dc.contributor.authorJackson, George
dc.date.accessioned2014-12-16T08:36:45Z
dc.date.available2014-12-16T08:36:45Z
dc.date.issued2010
dc.identifier.citationSampayo, J.G., Malijevský, A., Müller, E.A., Miguel Agustino, E.: "Communications : evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tension". Journal of Chemical Physics. Vol. 132, 141101 (2010). ISSN 0021-9606en_US
dc.identifier.issn0021-9606
dc.identifier.issn1089-7690 (electrónico)
dc.identifier.urihttp://hdl.handle.net/10272/9534
dc.description.abstractTest-area deformations are used to analyze vapor-liquid interfaces of Lennard-Jones particles by molecular dynamics simulation. For planar vapor-liquid interfaces the change in free energy is captured by the average of the corresponding change in energy, the leading-order contribution. This is consistent with the commonly used mechanical pressure-tensor route for the surface tension. By contrast for liquid drops, one finds a large second-order contribution associated with fluctuations in energy. Both the first- and second-order terms make comparable contributions, invalidating the mechanical relation for the surface tension of small drops. The latter is seen to increase above the planar value for drop radii of 8 particle diameters, followed by an apparent weak maximum and slow decay to the planar limit, consistent with a small negative Tolman length.en_US
dc.language.isoengen_US
dc.publisherAmerican Institute of Physicsen_US
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 España*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/*
dc.titleCommunications : evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tensionen_US
dc.typeinfo:eu-repo/semantics/articleen_US
dc.relation.publisherversionhttp://scitation.aip.org/content/aip/journal/jcp/132/14/10.1063/1.3376612?showFTTab=true&containerItemId=content/aip/journal/jcpen_US
dc.identifier.doi10.1063/1.3376612
dc.rights.accessRightsinfo:eu-repo/semantics/openAccessen_US


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