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Simulation and theory of hybrid aligned liquid crystal films

2009-01-26Artigo científico Acesso restrito
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dc.contributor.authorTeixeira, Paulo
dc.contributor.authorBarmes, F.
dc.contributor.authorAnquetil-Deck, C.
dc.contributor.authorCleaver, D. J.
dc.date.accessioned2014-06-17T10:50:44Z
dc.date.available2014-06-17T10:50:44Z
dc.date.issued2009-01-26
dc.description.abstractWe present a study of the effects of nanoconfinement on a system of hard Gaussian overlap particles interacting with planar substrates through the hard-needle-wall potential, extending earlier work by two of us [D. J. Cleaver and P. I. C. Teixeira, Chem. Phys. Lett. 338, 1 (2001)]. Here, we consider the case of hybrid films, where one of the substrates induces strongly homeotropic anchoring, while the other favors either weakly homeotropic or planar anchoring. These systems are investigated using both Monte Carlo simulation and density-functional theory, the latter implemented at the level of Onsager's second-virial approximation with Parsons-Lee rescaling. The orientational structure is found to change either continuously or discontinuously depending on substrate separation, in agreement with earlier predictions by others. The theory is seen to perform well in spite of its simplicity, predicting the positional and orientational structure seen in simulations even for small particle elongations.por
dc.identifier.citationTEIXEIRA, P. I. C.; BARMES, F.; ANQUETIL-DECK, C.; CLEAVER, D. J. - Simulation and theory of hybrid aligned liquid crystal films. Physical Review E. ISSN 1536-3755. Vol. 79, nr 1 (2009), p. 011709-1-011709-9.por
dc.identifier.issn1539-3755
dc.identifier.issn1550-2376
dc.identifier.other10.1103/PhysRevE.79.011709
dc.identifier.urihttp://hdl.handle.net/10400.21/3637
dc.language.isoengpor
dc.peerreviewedyespor
dc.publisherAmer Physical Socpor
dc.relation.ispartofseries;011709
dc.relation.publisherversionhttp://www.ncbi.nlm.nih.gov/pubmed/19257054por
dc.subjectDensity functional theorypor
dc.subjectEquations of statepor
dc.subjectLiquid crystalspor
dc.subjectLiquid filmspor
dc.subjectLiquid theorypor
dc.subjectMolecular orientationpor
dc.subjectMonte Carlo methodspor
dc.titleSimulation and theory of hybrid aligned liquid crystal filmspor
dc.typejournal article
dspace.entity.typePublication
oaire.citation.conferencePlaceUSApor
oaire.citation.endPage011709-9por
oaire.citation.issue1por
oaire.citation.startPage011709-1por
oaire.citation.titlePhysical Review Epor
oaire.citation.volume79por
person.familyNameTeixeira
person.givenNamePaulo
person.identifier.ciencia-idB31A-0CBD-8AC4
person.identifier.orcid0000-0003-2315-2261
person.identifier.ridA-2682-2009
person.identifier.scopus-author-id7005895098
rcaap.rightsrestrictedAccesspor
rcaap.typearticlepor
relation.isAuthorOfPublication35a012c6-2e8b-402f-9b82-065843fce9aa
relation.isAuthorOfPublication.latestForDiscovery35a012c6-2e8b-402f-9b82-065843fce9aa

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