Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
The heat conductivity of liquid crystal phases of a soft ellipsoid string-fluid evaluated by molecular dynamics simulation
Stockholm University, Faculty of Science, Department of Applied Environmental Science (ITM).
Stockholm University, Faculty of Science, Department of Applied Environmental Science (ITM).
2011 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 13, no 13, 5915-5925 p.Article in journal (Refereed) Published
Abstract [en]

We have applied a nonequilibrium molecular dynamics heat flow algorithm to calculate the heat conductivity of a molecular model system, which forms uniaxial and biaxial nematic liquid crystals. The model system consists of a soft ellipsoid string-fluid where the ellipsoids interact according to a repulsive version of the Gay-Berne potential. On compression, this system forms discotic or calamitic uniaxial nematic phases depending on the dimensions of the molecules, and on further compression a biaxial nematic phase is formed. In the discotic nematic phase, the heat conductivity has two components, one parallel and one perpendicular to the director, where the last mentioned component is the largest one. This order of magnitudes is reversed in the calamitic nematic phase. In the biaxial nematic phase there are three components of the heat conductivity, one in the direction around which the long axes of the molecules are oriented, this is the largest component, another one in the direction around which the normals of the broadsides of the molecules are oriented, this is the smallest component, and one in the direction perpendicular to these two directions with a magnitude in between those of the first mentioned components. The relative magnitudes of the components of the heat conductivity span a fairly wide interval so it should be possible to use the model to parameterise experimental data.

Place, publisher, year, edition, pages
2011. Vol. 13, no 13, 5915-5925 p.
National Category
Materials Chemistry
Identifiers
URN: urn:nbn:se:su:diva-68651DOI: 10.1039/c0cp02617dISI: 000288447100050OAI: oai:DiVA.org:su-68651DiVA: diva2:473653
Note
authorCount :2Available from: 2012-01-06 Created: 2012-01-04 Last updated: 2017-12-08Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Laaksonen, Aatto
By organisation
Department of Applied Environmental Science (ITM)
In the same journal
Physical Chemistry, Chemical Physics - PCCP
Materials Chemistry

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 26 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf