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Emergence of biaxial nematic phases in solutions of semiflexible dimers

2017-10-18Journal article Restricted access
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dc.contributor.authorVaghela, Arvin
dc.contributor.authorTeixeira, Paulo
dc.contributor.authorTerentjev, Eugene M.
dc.date.accessioned2018-01-30T11:29:44Z
dc.date.available2018-01-30T11:29:44Z
dc.date.issued2017-10-18
dc.description.abstractWe investigate the isotropic, uniaxial nematic and biaxial nematic phases, and the transitions between them, for a model lyotropic mixture of flexible molecules consisting of two rigid rods connected by a spacer with variable bending stiffness. We apply density-functional theory within the Onsager approximation to describe strictly excluded-volume interactions in this athermal model and to self-consistently find the orientational order parameters dictated by its complex symmetry, as functions of the density. Earlier work on lyotropic ordering of rigid bent-rod molecules is reproduced and extended to show explicitly the continuous phase transition at the Landau point, at a critical bend angle of 36.. For flexible dimers with no intrinsic biaxiality, we find that a biaxial nematic phase can nevertheless form at a sufficiently high density and low bending stiffness. For bending stiffness kappa > 0.86k(B)T, this biaxial phase manifests as dimer bending fluctuations occurring preferentially in one plane. When the dimers are more flexible, kappa < 0.86k(B)T, the modal shape of the fluctuating dimer is a V with an acute opening angle, and one of the biaxial order parameters changes sign, indicating a rotation of the directors. These two regions are separated by a narrow strip of uniaxial nematic in the phase diagram, which we generate in terms of the spacer stiffness and particle density.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationEmergence of biaxial nematic phases in solutions of semiflexible dimers. Physical Review E. ISSN 2470-0045. Vol. 96, N.º 4 (2017), pp. 1-10pt_PT
dc.identifier.doi10.1103/PhysRevE.96.042703pt_PT
dc.identifier.issn2470-0045
dc.identifier.issn2470-0053
dc.identifier.urihttp://hdl.handle.net/10400.21/7994
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherAmerican Physical Societypt_PT
dc.relationSt. John's Collegept_PT
dc.relationCavendish Laboratorypt_PT
dc.subjectLiquid-crystal transitionpt_PT
dc.subjectMolecular field theorypt_PT
dc.subjectBent-core moleculespt_PT
dc.subjectFlexible moleculespt_PT
dc.subjectOnsager theorypt_PT
dc.subjectOrderpt_PT
dc.subjectCoefficientspt_PT
dc.subjectParticlespt_PT
dc.subjectMesogenspt_PT
dc.subjectBehaviorpt_PT
dc.titleEmergence of biaxial nematic phases in solutions of semiflexible dimerspt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/5876/PEst-OE%2FFIS%2FUI0618%2F2014/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/3599-PPCDT/EXCL%2FFIS-NAN%2F0083%2F2012/PT
oaire.citation.endPage10pt_PT
oaire.citation.issue4pt_PT
oaire.citation.startPage1pt_PT
oaire.citation.titlePhysical Review Ept_PT
oaire.citation.volume96pt_PT
oaire.fundingStream5876
oaire.fundingStream3599-PPCDT
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
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsclosedAccesspt_PT
rcaap.typearticlept_PT
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relation.isAuthorOfPublication.latestForDiscovery35a012c6-2e8b-402f-9b82-065843fce9aa
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