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Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/41772
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dc.creatorAlexandre Penteado Furlanpt_BR
dc.creatorTiago José de Oliveirapt_BR
dc.creatorJürgen Fritz Stilckpt_BR
dc.creatorRonald Dickmanpt_BR
dc.date.accessioned2022-05-17T19:15:02Z-
dc.date.available2022-05-17T19:15:02Z-
dc.date.issued2019-08-08-
dc.citation.volume100pt_BR
dc.citation.issue2pt_BR
dc.citation.spage022109-1pt_BR
dc.citation.epage022109-12pt_BR
dc.identifier.doihttps://doi.org/10.1103/PhysRevE.100.022109pt_BR
dc.identifier.issn2470-0053pt_BR
dc.identifier.urihttp://hdl.handle.net/1843/41772-
dc.description.resumoWe study an associating lattice gas (ALG) using Monte Carlo simulation on the triangular lattice and semianalytical solutions on Husimi lattices. In this model, the molecules have an orientational degree of freedom and the interactions depend on the relative orientations of nearest-neighbor molecules, mimicking the formation of hydrogen bonds. We focus on the transition between the high-density liquid (HDL) phase and the isotropic phase in the limit of full occupancy, corresponding to chemical potential μ→∞, which has not yet been studied systematically. Simulations yield a continuous phase transition at τc = kBTc/γ = 0.4763(1) (where −γ is the bond energy) between the low-temperature HDL phase, with a nonvanishing mean orientation of the molecules, and the high-temperature isotropic phase. Results for critical exponents and the Binder cumulant indicate that the transition belongs to the three-state Potts model universality class, even though the ALG Hamiltonian does not have the full permutation symmetry of the Potts model. In contrast with simulation, the Husimi lattice analyses furnish a discontinuous phase transition, characterized by a discontinuity of the nematic order parameter. The transition temperatures (τc = 0.51403 and 0.51207 for trees built with triangles and hexagons, respectively) are slightly higher than that found via simulation. Since the Husimi lattice studies show that the ALG phase diagram features a discontinuous isotropic-HDL line for finite μ, three possible scenarios arise for the triangular lattice. The first is that in the limit μ→∞the first-order line ends in a critical point; the second is a change in the nature of the transition at some finite chemical potential; the third is that the entire line is one of continuous phase transitions. Results from other ALG models and the fact that mean-field approximations show a discontinuous phase transition for the three-state Potts model (known to possess a continuous transition) lends some weight to the third alternative.pt_BR
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológicopt_BR
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Geraispt_BR
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superiorpt_BR
dc.languageengpt_BR
dc.publisherUniversidade Federal de Minas Geraispt_BR
dc.publisher.countryBrasilpt_BR
dc.publisher.departmentICX - DEPARTAMENTO DE FÍSICApt_BR
dc.publisher.initialsUFMGpt_BR
dc.relation.ispartofPhysical Review Ept_BR
dc.rightsAcesso Restritopt_BR
dc.subjectFenômenos críticospt_BR
dc.subjectPhase transitionspt_BR
dc.subjectGás em redept_BR
dc.subjectUniversalidadept_BR
dc.subjectAmostragem entrópicapt_BR
dc.subjectMonte Carlo simulationpt_BR
dc.subject.otherFenômenos críticospt_BR
dc.subject.otherGás de redept_BR
dc.subject.otherTransições de fasespt_BR
dc.subject.otherMétodo de Monte Carlopt_BR
dc.titleOrder-disorder transition in a two-dimensional associating lattice gaspt_BR
dc.typeArtigo de Periódicopt_BR
dc.url.externahttps://journals.aps.org/pre/abstract/10.1103/PhysRevE.100.022109pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-9994-5383pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-3204-1953pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0003-2378-9393pt_BR
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