Simulation study of the phase behavior of a planar Maier-Saupe nematogenic liquid

Using extensive Monte Carlo simulations and a simple approximation in density functional theory, we study the phase behavior of a fluid of nematogenic molecules with centers of mass constrained to lie in a plane but with axes free to rotate in any direction, both with and without an external disorie...

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Detalles Bibliográficos
Autores: Lomba, Enrique, Martín, C., Almarza, Noé G., Lado, Fred
Tipo de recurso: artículo
Fecha de publicación:2005
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/26757
Acceso en línea:http://hdl.handle.net/10261/26757
Access Level:acceso abierto
Palabra clave:Maier-Saupe
liquid crystal
Statistical mechanics
Computer simulation
Phase transitions
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spelling Simulation study of the phase behavior of a planar Maier-Saupe nematogenic liquidLomba, EnriqueMartín, C.Almarza, Noé G.Lado, FredMaier-Saupeliquid crystalStatistical mechanicsComputer simulationPhase transitionsUsing extensive Monte Carlo simulations and a simple approximation in density functional theory, we study the phase behavior of a fluid of nematogenic molecules with centers of mass constrained to lie in a plane but with axes free to rotate in any direction, both with and without an external disorienting field perpendicular to the plane. We find that simulation predicts the existence of an order-disorder phase transition belonging to the Berezinskii-Kosterlitz-Thouless type, along with a low temperature gas-liquid transition. In contrast to the simulation results, density functional theory predicts a first-order orientational phase transition coupled continuously with a first-order gas-liquid transition. The approximate theoretical approach qualitatively reproduces the field dependence of the order-disorder and gas-liquid transitions but is far from quantitative. © 2005 The American Physical Societythe Dirección General de Investigación Científica is acknowledged by E.L, C.M., and N.G.A. under Grant No. FIS2004-02954-C03-01.Peer reviewedAmerican Physical Society201020102005info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_65011321452 bytesapplication/pdfhttp://hdl.handle.net/10261/26757reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttp://link.aps.org/doi/10.1103/PhysRevE.71.046132info:eu-repo/semantics/openAccessoai:digital.csic.es:10261/267572026-05-22T06:33:51Z
dc.title.none.fl_str_mv Simulation study of the phase behavior of a planar Maier-Saupe nematogenic liquid
title Simulation study of the phase behavior of a planar Maier-Saupe nematogenic liquid
spellingShingle Simulation study of the phase behavior of a planar Maier-Saupe nematogenic liquid
Lomba, Enrique
Maier-Saupe
liquid crystal
Statistical mechanics
Computer simulation
Phase transitions
title_short Simulation study of the phase behavior of a planar Maier-Saupe nematogenic liquid
title_full Simulation study of the phase behavior of a planar Maier-Saupe nematogenic liquid
title_fullStr Simulation study of the phase behavior of a planar Maier-Saupe nematogenic liquid
title_full_unstemmed Simulation study of the phase behavior of a planar Maier-Saupe nematogenic liquid
title_sort Simulation study of the phase behavior of a planar Maier-Saupe nematogenic liquid
dc.creator.none.fl_str_mv Lomba, Enrique
Martín, C.
Almarza, Noé G.
Lado, Fred
author Lomba, Enrique
author_facet Lomba, Enrique
Martín, C.
Almarza, Noé G.
Lado, Fred
author_role author
author2 Martín, C.
Almarza, Noé G.
Lado, Fred
author2_role author
author
author
dc.subject.none.fl_str_mv Maier-Saupe
liquid crystal
Statistical mechanics
Computer simulation
Phase transitions
topic Maier-Saupe
liquid crystal
Statistical mechanics
Computer simulation
Phase transitions
description Using extensive Monte Carlo simulations and a simple approximation in density functional theory, we study the phase behavior of a fluid of nematogenic molecules with centers of mass constrained to lie in a plane but with axes free to rotate in any direction, both with and without an external disorienting field perpendicular to the plane. We find that simulation predicts the existence of an order-disorder phase transition belonging to the Berezinskii-Kosterlitz-Thouless type, along with a low temperature gas-liquid transition. In contrast to the simulation results, density functional theory predicts a first-order orientational phase transition coupled continuously with a first-order gas-liquid transition. The approximate theoretical approach qualitatively reproduces the field dependence of the order-disorder and gas-liquid transitions but is far from quantitative. © 2005 The American Physical Society
publishDate 2005
dc.date.none.fl_str_mv 2005
2010
2010
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/26757
url http://hdl.handle.net/10261/26757
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv http://link.aps.org/doi/10.1103/PhysRevE.71.046132
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 1321452 bytes
application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
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repository.mail.fl_str_mv
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