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The temperature dependence of the heat conductivity of a liquid crystal studied by molecular dynamics simulation
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).ORCID iD: 0000-0003-1702-5645
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).ORCID iD: 0000-0001-9783-4535
2010 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 485, no 03-jan, p. 77-82Article in journal (Refereed) Published
Abstract [en]

The temperature dependence of the heat conductivity has been obtained for a liquid crystal model based on the Gay-Berne fluid, from the isotropic phase at high temperatures through the nematic phase to the smectic A phase at low temperatures. The ratio of the parallel and the perpendicular components of the heat conductivity is about 2.5:1 in the nematic phase, which is similar to that of real systems. Both Green-Kubo methods and nonequilibrium molecular dynamics methods have been applied and the results agree within in a relative error of a couple of percent, but the latter method is much more efficient.

Place, publisher, year, edition, pages
2010. Vol. 485, no 03-jan, p. 77-82
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Chemical Sciences
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URN: urn:nbn:se:su:diva-49299DOI: 10.1016/j.cplett.2009.11.073ISI: 000273231900016OAI: oai:DiVA.org:su-49299DiVA, id: diva2:378077
Note
authorCount :2Available from: 2010-12-15 Created: 2010-12-13 Last updated: 2022-02-24Bibliographically approved

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Sarman, StenLaaksonen, Aatto

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