Investigation of anisotropic thermal conductivity of uniaxial and biaxial Gay-Berne particles with molecular dynamics simulation

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dc.authoridYilmaz, Suleyman/0000-0002-2995-7936
dc.authoridYildirim, Ahmet/0000-0003-1495-0288
dc.contributor.authorYildirim, Ahmet
dc.contributor.authorEroglu, Erol
dc.contributor.authorYilmaz, Suleyman
dc.date.accessioned2024-12-24T19:28:11Z
dc.date.available2024-12-24T19:28:11Z
dc.date.issued2011
dc.departmentSiirt Üniversitesi
dc.description.abstractIn this study, we investigated uniaxial and biaxial Gay-Berne (GB) particles with the help of the molecular dynamics (MD) simulation. Anisotropic thermal conductivities of the uniaxial and biaxial GB liquid crystal molecules were calculated both in the random molecular orientation and in the molecular orientations of 0 degrees, 45 degrees and 90 degrees using the Muller-Plathe method. In the uniaxial molecules, it was found that the thermal conductivity ratios between the parallel and perpendicular components for the smectic and nematic phases are about 2.2:1 and 2.8:1, respectively. As for biaxial molecules, these ratios between the parallel and perpendicular components of molecules for the smectic and nematic phases are about 3.9:1 and 3.8:1, respectively.
dc.identifier.doi10.1080/08927022.2011.589051
dc.identifier.endpage1185
dc.identifier.issn0892-7022
dc.identifier.issue14
dc.identifier.scopus2-s2.0-81255147979
dc.identifier.scopusqualityQ2
dc.identifier.startpage1179
dc.identifier.urihttps://doi.org/10.1080/08927022.2011.589051
dc.identifier.urihttps://hdl.handle.net/20.500.12604/6945
dc.identifier.volume37
dc.identifier.wosWOS:000296490600004
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherTaylor & Francis Ltd
dc.relation.ispartofMolecular Simulation
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_20241222
dc.subjectliquid crystal molecules
dc.subjectmolecular dynamics simulation
dc.subjectMuller-Plathe method
dc.subjectthermal conductivity
dc.titleInvestigation of anisotropic thermal conductivity of uniaxial and biaxial Gay-Berne particles with molecular dynamics simulation
dc.typeArticle

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