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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).
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
2010 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 485, no 03-jan, 77-82 p.Article 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, 77-82 p.
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Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-49299DOI: 10.1016/j.cplett.2009.11.073ISI: 000273231900016OAI: oai:DiVA.org:su-49299DiVA: diva2:378077
Note
authorCount :2Available from: 2010-12-15 Created: 2010-12-13 Last updated: 2017-12-11Bibliographically approved

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