Ordering of oblate hard particles between hybrid penetrable walls

Detalhes bibliográficos
Autor(a) principal: Anquetil-Deck, Candy
Data de Publicação: 2020
Outros Autores: Cleaver, Douglas J., Teixeira, Paulo
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10400.21/12278
Resumo: Este trabalho foi financiado pelo Concurso Anual para Projetos de Investigação, Desenvolvimento, Inovação e Criação Artística (IDI&CA) 2016 do Instituto Politécnico de Lisboa. Código de referência IPL/2019/DISCONEDGE_ISEL
id RCAP_61ea4c4a972088b8350d2e5b0c928812
oai_identifier_str oai:repositorio.ipl.pt:10400.21/12278
network_acronym_str RCAP
network_name_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository_id_str 7160
spelling Ordering of oblate hard particles between hybrid penetrable wallsDiscotic liquid crystal (DLC)Hybrid wallsHard Gaussian overlap (HGO)Este trabalho foi financiado pelo Concurso Anual para Projetos de Investigação, Desenvolvimento, Inovação e Criação Artística (IDI&CA) 2016 do Instituto Politécnico de Lisboa. Código de referência IPL/2019/DISCONEDGE_ISELWe report a Monte Carlo (MC) simulation study of a model discotic liquid crystal (DLC) confined between hybrid walls with controllable penetrability. The model consists of oblate hard Gaussian overlap (HGO) particles. Particle-substrate interactions are modeled as follows: each substrate sees a particle as a disc of zero thickness and diameter D less than or equal to that of the actual particle, sigma(0), embedded inside the particle and located halfway along, and perpendicular to, its minor axis. This allows us to control the anchoring properties of the substrates, from planar (edge-on) for D approximate to 0 to homeotropic (face-on) for D approximate to sigma(0), which can be done independently at either substrate. Depending on the values of D-s = D/sigma(0) at the top (D-s(t)) and bottom (D-s(b)) substrates, we find domains in (D-s(b), D-s(t)) space in which particle alignment is uniform planar (UP), is uniform homeotropic (UH), or varies linearly from planar at one substrate to homeotropic at the other (Lin). These domains are separated by regions of bistability (P-Lin and H-Lin), which appear to be wider than for prolate HGOs, and there may be also a small tristable (P-H-Lin) region. Results are compared with the predictions of density functional theory, implemented at the level of Onsager's second-virial approximation with Parsons-Lee rescaling. As in the case of symmetric confinement studied previously, the agreement between theory and simulation is substantially less good than for prolate HGOs: in particular, for the investigated substrate separation L = 6 sigma(0), the Lin configuration is never predicted. These discrepancies are likely a consequence of the fact that Onsager's theory is less accurate for discs than for rods.American Chemical SocietyRCIPLAnquetil-Deck, CandyCleaver, Douglas J.Teixeira, Paulo2020-10-07T11:03:34Z2020-09-032020-09-03T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10400.21/12278engANQUETIL-DECK, Candy; CLEAVER, Douglas J.; TEIXEIRA, Paulo I. C. – Ordering of oblate hard particles between hybrid penetrable walls. Journal of Physical Chemistry B. ISSN 1520-6106. Vol. 124, N.º 35 (2020), pp. 7709-77161520-610610.1021/acs.jpcb.0c05027metadata only accessinfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-08-03T10:04:52Zoai:repositorio.ipl.pt:10400.21/12278Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T20:20:23.966044Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Ordering of oblate hard particles between hybrid penetrable walls
title Ordering of oblate hard particles between hybrid penetrable walls
spellingShingle Ordering of oblate hard particles between hybrid penetrable walls
Anquetil-Deck, Candy
Discotic liquid crystal (DLC)
Hybrid walls
Hard Gaussian overlap (HGO)
title_short Ordering of oblate hard particles between hybrid penetrable walls
title_full Ordering of oblate hard particles between hybrid penetrable walls
title_fullStr Ordering of oblate hard particles between hybrid penetrable walls
title_full_unstemmed Ordering of oblate hard particles between hybrid penetrable walls
title_sort Ordering of oblate hard particles between hybrid penetrable walls
author Anquetil-Deck, Candy
author_facet Anquetil-Deck, Candy
Cleaver, Douglas J.
Teixeira, Paulo
author_role author
author2 Cleaver, Douglas J.
Teixeira, Paulo
author2_role author
author
dc.contributor.none.fl_str_mv RCIPL
dc.contributor.author.fl_str_mv Anquetil-Deck, Candy
Cleaver, Douglas J.
Teixeira, Paulo
dc.subject.por.fl_str_mv Discotic liquid crystal (DLC)
Hybrid walls
Hard Gaussian overlap (HGO)
topic Discotic liquid crystal (DLC)
Hybrid walls
Hard Gaussian overlap (HGO)
description Este trabalho foi financiado pelo Concurso Anual para Projetos de Investigação, Desenvolvimento, Inovação e Criação Artística (IDI&CA) 2016 do Instituto Politécnico de Lisboa. Código de referência IPL/2019/DISCONEDGE_ISEL
publishDate 2020
dc.date.none.fl_str_mv 2020-10-07T11:03:34Z
2020-09-03
2020-09-03T00:00:00Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10400.21/12278
url http://hdl.handle.net/10400.21/12278
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv ANQUETIL-DECK, Candy; CLEAVER, Douglas J.; TEIXEIRA, Paulo I. C. – Ordering of oblate hard particles between hybrid penetrable walls. Journal of Physical Chemistry B. ISSN 1520-6106. Vol. 124, N.º 35 (2020), pp. 7709-7716
1520-6106
10.1021/acs.jpcb.0c05027
dc.rights.driver.fl_str_mv metadata only access
info:eu-repo/semantics/openAccess
rights_invalid_str_mv metadata only access
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
repository.mail.fl_str_mv
_version_ 1817553031622819840

Registros relacionados