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dc.contributor.authorFiore, Carlos Eduardopt_BR
dc.contributor.authorSzortyka, Marcia Martinspt_BR
dc.contributor.authorBarbosa, Marcia Cristina Bernardespt_BR
dc.contributor.authorHenriques, Vera Bohomoletzpt_BR
dc.date.accessioned2020-02-06T04:16:27Zpt_BR
dc.date.issued2009pt_BR
dc.identifier.issn0021-9606pt_BR
dc.identifier.urihttp://hdl.handle.net/10183/205428pt_BR
dc.description.abstractThe Bell–Lavis model for liquid water is investigated through numerical simulations. The lattice-gas model on a triangular lattice presents orientational states and is known to present a highly bonded low density phase and a loosely bonded high density phase. We show that the model liquid-liquid transition is continuous, in contradiction with mean-field results on the Husimi cactus and from the cluster variational method. We define an order parameter which allows interpretation of the transition as an order-disorder transition of the bond network. Our results indicate that the order-disorder transition is in the Ising universality class. Previous proposal of an Ehrenfest second order transition is discarded. A detailed investigation of anomalous properties has also been undertaken. The line of density maxima in the HDL phase is stabilized by fluctuations, absent in the mean-field solution.en
dc.format.mimetypeapplication/pdfpt_BR
dc.language.isoengpt_BR
dc.relation.ispartofThe journal of chemical physics. New York. Vol. 131, no. 16 (Oct. 2009), 164506, 9 p.pt_BR
dc.rightsOpen Accessen
dc.subjectFísica da matéria condensadapt_BR
dc.subjectDiagramas de fasept_BR
dc.subjectEstrutura líqüidapt_BR
dc.subjectTransformações líquido-líquidopt_BR
dc.subjectTransformacoes de ordem-desordempt_BR
dc.subjectGás de redept_BR
dc.subjectMétodo de Monte Carlopt_BR
dc.subjectModelo de isingpt_BR
dc.titleLiquid polymorphism, order-disorder transitions and anomalous behavior : a Monte Carlo study of the Bell-Lavis model for waterpt_BR
dc.typeArtigo de periódicopt_BR
dc.identifier.nrb000727388pt_BR
dc.type.originEstrangeiropt_BR


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