A biaxial nematic liquid crystal composed of matchbox-symmetric molecules

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dc.contributor.authorSkutnik, Robert A.
dc.contributor.authorGeier, Immanuel S.
dc.contributor.authorSchoen, Martin
dc.date.accessioned2022-01-06T15:56:49Z
dc.date.available2022-01-06T15:56:49Z
dc.date.issued2020-02-11
dc.description.abstractBy means of Monte Carlo simulations in the isothermal-isobaric ensemble, we investigate the structure and phase behaviour of a thermotropic liquid crystal composed of matchbox-symmetric (or board-like) molecules. Besides the isotropic phase the liquid crystal exhibits also uniaxial and biaxial nematic phases. The interaction potential is derived through an expansion in terms of Stone's rotational invariants [A. J. Stone, Mol. Phys. 78, 241–256 (1978).] that can be reexpressed in terms of Cartesian tensors. This latter formulation is particularly well suited for computer simulations. We analyse the orientation distribution function which allows us to distinguish between intrinsic and extrinsic biaxiality. In addition, we study the orientation-dependent correlation functions. In the limit of large intermolecular separations, the value of the orientation correlation function corresponds to the uniaxial and biaxial order parameters which are coupled in a complex fashion.en
dc.identifier.eissn1362-3028
dc.identifier.issn0026-8976
dc.identifier.urihttps://depositonce.tu-berlin.de/handle/11303/16075
dc.identifier.urihttp://dx.doi.org/10.14279/depositonce-14849
dc.language.isoenen
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subject.ddc540 Chemie und zugeordnete Wissenschaftende
dc.subject.otherliquid crystalen
dc.subject.othernematic phaseen
dc.subject.otherbiaxialityen
dc.subject.otherMonte Carlo simulationen
dc.titleA biaxial nematic liquid crystal composed of matchbox-symmetric moleculesen
dc.typeArticleen
dc.type.versionacceptedVersionen
dcterms.bibliographicCitation.doi10.1080/00268976.2020.1726520en
dcterms.bibliographicCitation.issue9-10en
dcterms.bibliographicCitation.journaltitleMolecular Physicsen
dcterms.bibliographicCitation.originalpublishernameTaylor & Francisen
dcterms.bibliographicCitation.originalpublisherplaceAbingdonen
dcterms.bibliographicCitation.volume118en
tub.accessrights.dnbfreeen
tub.affiliationFak. 2 Mathematik und Naturwissenschaften::Inst. Chemie::FG Theoretische Chemiede
tub.affiliation.facultyFak. 2 Mathematik und Naturwissenschaftende
tub.affiliation.groupFG Theoretische Chemiede
tub.affiliation.instituteInst. Chemiede
tub.publisher.universityorinstitutionTechnische Universität Berlinen

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