Journal article
Incorporating particle flexibility in a density functional description of nematics and cholesterics
- Abstract:
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We describe a general implementation of the Fynewever–Yethiraj density functional theory (DFT) for the investigation of nematic and cholesteric self-assembly in arbitrary solutions of semi-flexible polymers. The basic assumptions of the theory are discussed in the context of other generalised Onsager descriptions for flexible polyatomic systems. The location of the isotropic-to-nematic phase transition is found to be in good agreement with molecular simulations for elongated chains up to rela...
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- Publication status:
- Published
- Peer review status:
- Peer reviewed
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- Files:
-
-
(Accepted manuscript, pdf, 4.4MB)
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- Publisher copy:
- 10.1080/00268976.2018.1464226
Authors
Funding
+ European Union
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Grant:
H2020 Marie Sklodowska-Curie Actions (grant number
641839
Bibliographic Details
- Publisher:
- Taylor and Francis Publisher's website
- Journal:
- Molecular Physics Journal website
- Volume:
- 116
- Issue:
- 21-22
- Pages:
- 2773-2791
- Publication date:
- 2018-05-03
- Acceptance date:
- 2018-03-30
- DOI:
- EISSN:
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1362-3028
- ISSN:
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0026-8976
Item Description
- Keywords:
- Pubs id:
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pubs:822196
- UUID:
-
uuid:35fc18af-8661-4a62-9350-6fc030d4680c
- Local pid:
- pubs:822196
- Source identifiers:
-
822196
- Deposit date:
- 2018-05-24
Terms of use
- Copyright holder:
- Informa UK Limited, trading as Taylor & Francis Group
- Copyright date:
- 2018
- Notes:
- Copyright © 2018 Informa UK Limited, trading as Taylor & Francis Group. This is the accepted manuscript version of the article. The final version is available online from Taylor & Francis at: https://doi.org/10.1080/00268976.2018.1464226
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