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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2022-06-01
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| Series: | Journal of Non-Crystalline Solids: X |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S259015912200005X |
| _version_ | 1811251515878277120 |
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| author | Saeed Mehri Mohamed A. Kolmangadi Jeppe C. Dyre Trond S. Ingebrigtsen |
| author_facet | Saeed Mehri Mohamed A. Kolmangadi Jeppe C. Dyre Trond S. Ingebrigtsen |
| author_sort | Saeed Mehri |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-12T16:21:30Z |
| format | Article |
| id | doaj.art-01d4ef63023e4c72b88c71ed9b7d4852 |
| institution | Directory Open Access Journal |
| issn | 2590-1591 |
| language | English |
| last_indexed | 2024-04-12T16:21:30Z |
| publishDate | 2022-06-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Non-Crystalline Solids: X |
| spelling | doaj.art-01d4ef63023e4c72b88c71ed9b7d48522022-12-22T03:25:33ZengElsevierJournal of Non-Crystalline Solids: X2590-15912022-06-0114100085Lines of invariant physics in the isotropic phase of the discotic Gay-Berne modelSaeed Mehri0Mohamed A. Kolmangadi1Jeppe C. Dyre2Trond S. Ingebrigtsen3“Glass and Time”, IMFUFA, Dept. of Science and Environment, Roskilde University, P. O. Box 260, DK-4000 Roskilde, DenmarkBundesanstalt für Materialforschung und -Prüfung, Unter den Eichen 87, 12205 Berlin, Germany“Glass and Time”, IMFUFA, Dept. of Science and Environment, Roskilde University, P. O. Box 260, DK-4000 Roskilde, Denmark; Corresponding author.“Glass and Time”, IMFUFA, Dept. of Science and Environment, Roskilde University, P. O. Box 260, DK-4000 Roskilde, DenmarkThe 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.http://www.sciencedirect.com/science/article/pii/S259015912200005X |
| spellingShingle | Saeed Mehri Mohamed A. Kolmangadi Jeppe C. Dyre Trond S. Ingebrigtsen Lines of invariant physics in the isotropic phase of the discotic Gay-Berne model Journal of Non-Crystalline Solids: X |
| title | Lines of invariant physics in the isotropic phase of the discotic Gay-Berne model |
| title_full | Lines of invariant physics in the isotropic phase of the discotic Gay-Berne model |
| title_fullStr | Lines of invariant physics in the isotropic phase of the discotic Gay-Berne model |
| title_full_unstemmed | Lines of invariant physics in the isotropic phase of the discotic Gay-Berne model |
| title_short | Lines of invariant physics in the isotropic phase of the discotic Gay-Berne model |
| title_sort | lines of invariant physics in the isotropic phase of the discotic gay berne model |
| url | http://www.sciencedirect.com/science/article/pii/S259015912200005X |
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