Dynamic phenomena and viscous properties in a liquid crystal: A theoretical treatment and molecular dynamic simulations

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dc.contributor.authorCapar, M. Ilk
dc.contributor.authorCebe, E.
dc.contributor.authorZakharov, A. V.
dc.date.accessioned2019-10-27T21:36:14Z
dc.date.available2019-10-27T21:36:14Z
dc.date.issued2011
dc.departmentEge Üniversitesien_US
dc.description.abstractThe molecular dynamics (MD) simulations, based on a realistic atom-atom interaction potentials were performed on 4-heptyloxy-4'-cyanobiphenyl (7OCB) and 4-hexyloxy-benzylidene-4'-amino-benzonitrile (HBAB) in nematic phase. The set of the order parameters (OPs) S-2L (L = 1,2, 3), rotational self-diffusion (RSD) coefficient D-perpendicular to, rotational gamma(i) (i = 1,2) and Leslie alpha(i)(i = 1,...,6) viscosity coefficients, the set of the orientational correlation times tau(i)(j0)(i = 1,2; j = 0,1) for 7OCB and HBAB in the nematic phase are calculated. Reasonable agreement between the calculated and the experimentally obtained data on S-2, tau(1)(00), and gamma(1) has been obtained. (C) 2011 Elsevier B. V. All rights reserved.en_US
dc.description.sponsorshipScientific and Technological Research Council of Turkey (TUBITAK) by BIDEBTurkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) [2221]; Russian Funds for Fundamental Research [09-02-00010-a]en_US
dc.description.sponsorshipWe acknowledge financial support from Scientific and Technological Research Council of Turkey (TUBITAK) by BIDEB 2221. AVZ acknowledges support from the Russian Funds for Fundamental Research (No. 09-02-00010-a). The computations were performed in part at the ULAKBIM High Performance Computing Center, which is gratefully acknowledged. The authors thank the OCTA group at Nagoya University for the OCTA2007 program package (http://octa.jp).en_US
dc.identifier.doi10.1016/j.cplett.2011.08.037
dc.identifier.endpage127en_US
dc.identifier.issn0009-2614
dc.identifier.issn1873-4448
dc.identifier.issn0009-2614en_US
dc.identifier.issn1873-4448en_US
dc.identifier.issue01.Maren_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage124en_US
dc.identifier.urihttps://doi.org/10.1016/j.cplett.2011.08.037
dc.identifier.urihttps://hdl.handle.net/11454/46018
dc.identifier.volume514en_US
dc.identifier.wosWOS:000295537500026en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofChemical Physics Lettersen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.titleDynamic phenomena and viscous properties in a liquid crystal: A theoretical treatment and molecular dynamic simulationsen_US
dc.typeArticleen_US

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