Density Functional Theory for Liquid Crystals
A fluid of hard spherocylinders serves as a simple model system for Liquid Crystals. Within classical density functional theory, the free energy of anisotropic hard bodies can be written in terms of weighted densities solely depending on geometry and position of a single oriented particle. We improv...
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| Формат: | Online |
| Язык: | английский |
| Опубликовано: |
FAU University Press
2025
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| Предметы: | |
| Online-ссылка: | ONIX_20251215T160703_9783944057378_14 |
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| _version_ | 1869515901416505344 |
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| author | Wittmann, René |
| author_browse | Wittmann, René |
| author_facet | Wittmann, René |
| author_sort | Wittmann, René |
| collection | Directory of Open Access Books |
| description | A fluid of hard spherocylinders serves as a simple model system for Liquid Crystals. Within classical density functional theory, the free energy of anisotropic hard bodies can be written in terms of weighted densities solely depending on geometry and position of a single oriented particle. We improve upon this Fundamental Measure Theory by providing the exact low-density limit and proposing more suitable expressions for the dense system. To compare the presented approaches, we discuss the phase diagram of hard spherocylinders as well as interfacial and elastic properties. The analytic results for some simple hard-body systems constrain the general form of the functional. This work provides a sophisticated density functional, which allows to deduce macroscopic phenomena from the geometry of the fluid‘s particles. It is straightforward to describe mixtures and confined fluids or to extend the theory to soft interaction potentials. |
| format | Online |
| id | doab-20.500.12854ir-170228 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2025 |
| publishDateRange | 2025 |
| publishDateSort | 2025 |
| publisher | FAU University Press |
| publisherStr | FAU University Press |
| record_format | ojs |
| spelling | doab-20.500.12854ir-1702282025-12-16T05:29:25Z Density Functional Theory for Liquid Crystals Wittmann, René Minkowskifunktionale Flüssigkristalle Dichtefunktionaltheorie thema EDItEUR::P Mathematics and Science A fluid of hard spherocylinders serves as a simple model system for Liquid Crystals. Within classical density functional theory, the free energy of anisotropic hard bodies can be written in terms of weighted densities solely depending on geometry and position of a single oriented particle. We improve upon this Fundamental Measure Theory by providing the exact low-density limit and proposing more suitable expressions for the dense system. To compare the presented approaches, we discuss the phase diagram of hard spherocylinders as well as interfacial and elastic properties. The analytic results for some simple hard-body systems constrain the general form of the functional. This work provides a sophisticated density functional, which allows to deduce macroscopic phenomena from the geometry of the fluid‘s particles. It is straightforward to describe mixtures and confined fluids or to extend the theory to soft interaction potentials. 2025-12-16T05:29:24Z 2025-12-16T05:29:24Z 2025-12-15T15:09:15Z 2015 book ONIX_20251215T160703_9783944057378_14 https://library.oapen.org/handle/20.500.12657/109183 9783944057378 https://directory.doabooks.org/handle/20.500.12854/170228 eng FAU Studies Mathematics & Physics open access image/jpeg n/a https://library.oapen.org/bitstream/20.500.12657/109183/1/9783944057378.pdf FAU University Press 2c600dea-eece-4066-87be-da335e323fdb 9783944057378 395 Erlangen open access |
| spellingShingle | Minkowskifunktionale Flüssigkristalle Dichtefunktionaltheorie thema EDItEUR::P Mathematics and Science Wittmann, René Density Functional Theory for Liquid Crystals |
| title | Density Functional Theory for Liquid Crystals |
| title_full | Density Functional Theory for Liquid Crystals |
| title_fullStr | Density Functional Theory for Liquid Crystals |
| title_full_unstemmed | Density Functional Theory for Liquid Crystals |
| title_short | Density Functional Theory for Liquid Crystals |
| title_sort | density functional theory for liquid crystals |
| topic | Minkowskifunktionale Flüssigkristalle Dichtefunktionaltheorie thema EDItEUR::P Mathematics and Science |
| topic_facet | Minkowskifunktionale Flüssigkristalle Dichtefunktionaltheorie thema EDItEUR::P Mathematics and Science |
| url | ONIX_20251215T160703_9783944057378_14 |
| work_keys_str_mv | AT wittmannrene densityfunctionaltheoryforliquidcrystals |