Lines of invariant physics in the isotropic phase of the discotic Gay-Berne model

The Gay-Berne model is studied numerically with a choice of parameters allowing for the formation of a discotic liquid crystal at low temperatures. We show that the model has strong virial potential-energy correlations in the isotropic phase at high temperatures, i.e., it obeys the criterion for the...

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Published inJournal of non-crystalline solids. X Vol. 14; p. 100085
Main Authors Mehri, Saeed, Kolmangadi, Mohamed A., Dyre, Jeppe C., Ingebrigtsen, Trond S.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.06.2022
Elsevier
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Summary:The Gay-Berne model is studied numerically with a choice of parameters allowing for the formation of a discotic liquid crystal at low temperatures. We show that the model has strong virial potential-energy correlations in the isotropic phase at high temperatures, i.e., it obeys the criterion for the existence of isomorphs, which are curves of approximately invariant structure and dynamics. These properties are demonstrated to be approximately invariant in reduced units along the isomorph studied. The isomorph is described well by the constant density-scaling exponent 11.5, a number that is significantly larger than the density-scaling exponents of various Lennard-Jones models that are always below 6.
ISSN:2590-1591
2590-1591
DOI:10.1016/j.nocx.2022.100085