Structure formation in monolayers composed of hard bent-core molecules
Authors:
- Paweł Karbowniczek,
- Michał Cieśla,
- Lech Longa,
- Agnieszka Chrzanowska
Abstract
We investigate the role of excluded volume interactions instabilising different structures in monolayers filled with bent-shaped molecules using the Onsager type of density functional theory supplemented by constant-pressure Monte-Carlo simulations. We study influence of molecular features, like the apex angle, thickness of the arm and the type of the arm edges on the stability of layered structures. For simple molecular shapes taken the observed phases are dominated by the lamellar antiferroelectric type as observed experimentally, but a considerable sensitivity of the ordering to details of the molecular shape is found for order parameters and wave vectors of the structures. Interestingly, for large opening angles and not too thick molecules, a window of stable nematic splay-bend phase is shown to exist.
- Record ID
- CUTaa21b3ce6b3e4ff98434c28c9fcd8e10
- Publication categories
- ;
- Author
- Journal series
- Liquid Crystals, ISSN 0267-8292, e-ISSN 1366-5855
- Issue year
- 2017
- Vol
- 44
- No
- 1
- Pages
- 254-272
- Other elements of collation
- rys.; wykr.; Bibliografia (na s.) - 270-271; Bibliografia (liczba pozycji) - 42; Oznaczenie streszczenia - Abstr.; Numeracja w czasopiśmie - Vol. 44, Iss. 1
- Keywords in English
- DFT of liquid crystals, MC simulations, nematic splay-bend, perfect order approximation, smectics, antiferroelectric order, two-dimensional order
- DOI
- DOI:10.1080/02678292.2016.1259510 Opening in a new tab
- URL
- https://www.tandfonline.com/doi/full/10.1080/02678292.2016.1259510?scroll=top&needAccess=true Opening in a new tab
- Language
- eng (en) English
- Score (nominal)
- 30
- Additional fields
- Indeksowana w: Web of Science, Scopus
- Uniform Resource Identifier
- https://cris.pk.edu.pl/info/article/CUTaa21b3ce6b3e4ff98434c28c9fcd8e10/
- URN
urn:pkr-prod:CUTaa21b3ce6b3e4ff98434c28c9fcd8e10
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