Structural characterization of systems with competing interactions confined in narrow spherical shells

Autores
Serna, Horacio; Meyra, Ariel German; Noya, Eva G.; Gózd, Wojciech T.
Año de publicación
2023
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Systems with short-range attraction and long-range repulsion can form ordered microphases in bulk and under confinement. In fact, confinement has been proven a good strategy to induce the formation of novel ordered microphases that might be appealing to the development of functional nanomaterials. Using Grand Canonical Monte Carlo (GCMC) simulations, we study a model colloidal system with competing interactions under confinement in narrow spherical shells at thermodynamic conditions at which the hexagonal phase is stable in bulk. We observe the formation of three parent ordered structures formed by toroidal clusters and two spherical clusters (Type I), toroidal clusters and one spherical cluster (Type II), and toroidal clusters alone (Type III), depending on the radius of the confining shell, that can often coexist with other related structures derived from these parent ones by a simple transformation, in which the system is divided in two hemispheres that are rotated with respect to each other by a given angle. We propose a general method to characterize and predict the structures obtained under confinement in spherical shells in systems able to self-assemble into a hexagonal phase in bulk. We also show that deforming the spherical shells into ellipsoidal ones affects the structure of the system in such a way that helical structures are favoured by prolate ellipsoids and toroidal structures by oblate ellipsoids.
Fil: Serna, Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; Argentina
Fil: Meyra, Ariel German. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; Argentina. Universidad Tecnológica Nacional; Argentina
Fil: Noya, Eva G.. Consejo Superior de Investigaciones Científicas; España
Fil: Gózd, Wojciech T.. Institute of Physical Chemistry Polish Academy of Sciences; Polonia
Materia
Self-Assembly
shells
Confined Fluids
SALR potential
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/250861
Acceder
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Structural characterization of systems with competing interactions confined in narrow spherical shellsSerna, HoracioMeyra, Ariel GermanNoya, Eva G.Gózd, Wojciech T.Self-AssemblyshellsConfined FluidsSALR potentialhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Systems with short-range attraction and long-range repulsion can form ordered microphases in bulk and under confinement. In fact, confinement has been proven a good strategy to induce the formation of novel ordered microphases that might be appealing to the development of functional nanomaterials. Using Grand Canonical Monte Carlo (GCMC) simulations, we study a model colloidal system with competing interactions under confinement in narrow spherical shells at thermodynamic conditions at which the hexagonal phase is stable in bulk. We observe the formation of three parent ordered structures formed by toroidal clusters and two spherical clusters (Type I), toroidal clusters and one spherical cluster (Type II), and toroidal clusters alone (Type III), depending on the radius of the confining shell, that can often coexist with other related structures derived from these parent ones by a simple transformation, in which the system is divided in two hemispheres that are rotated with respect to each other by a given angle. We propose a general method to characterize and predict the structures obtained under confinement in spherical shells in systems able to self-assemble into a hexagonal phase in bulk. We also show that deforming the spherical shells into ellipsoidal ones affects the structure of the system in such a way that helical structures are favoured by prolate ellipsoids and toroidal structures by oblate ellipsoids.Fil: Serna, Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; ArgentinaFil: Meyra, Ariel German. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; Argentina. Universidad Tecnológica Nacional; ArgentinaFil: Noya, Eva G.. Consejo Superior de Investigaciones Científicas; EspañaFil: Gózd, Wojciech T.. Institute of Physical Chemistry Polish Academy of Sciences; PoloniaRoyal Society of Chemistry2023-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/250861Serna, Horacio; Meyra, Ariel German; Noya, Eva G.; Gózd, Wojciech T.; Structural characterization of systems with competing interactions confined in narrow spherical shells; Royal Society of Chemistry; Soft Matter; 19; 27; 6-2023; 5103-51171744-683XCONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlehtml/2023/sm/d3sm00442binfo:eu-repo/semantics/altIdentifier/doi/10.1039/D3SM00442Binfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:42:28Zoai:ri.conicet.gov.ar:11336/250861instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-15 14:42:28.619CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Structural characterization of systems with competing interactions confined in narrow spherical shells
title Structural characterization of systems with competing interactions confined in narrow spherical shells
spellingShingle Structural characterization of systems with competing interactions confined in narrow spherical shells
Serna, Horacio
Self-Assembly
shells
Confined Fluids
SALR potential
title_short Structural characterization of systems with competing interactions confined in narrow spherical shells
title_full Structural characterization of systems with competing interactions confined in narrow spherical shells
title_fullStr Structural characterization of systems with competing interactions confined in narrow spherical shells
title_full_unstemmed Structural characterization of systems with competing interactions confined in narrow spherical shells
title_sort Structural characterization of systems with competing interactions confined in narrow spherical shells
dc.creator.none.fl_str_mv Serna, Horacio
Meyra, Ariel German
Noya, Eva G.
Gózd, Wojciech T.
author Serna, Horacio
author_facet Serna, Horacio
Meyra, Ariel German
Noya, Eva G.
Gózd, Wojciech T.
author_role author
author2 Meyra, Ariel German
Noya, Eva G.
Gózd, Wojciech T.
author2_role author
author
author
dc.subject.none.fl_str_mv Self-Assembly
shells
Confined Fluids
SALR potential
topic Self-Assembly
shells
Confined Fluids
SALR potential
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Systems with short-range attraction and long-range repulsion can form ordered microphases in bulk and under confinement. In fact, confinement has been proven a good strategy to induce the formation of novel ordered microphases that might be appealing to the development of functional nanomaterials. Using Grand Canonical Monte Carlo (GCMC) simulations, we study a model colloidal system with competing interactions under confinement in narrow spherical shells at thermodynamic conditions at which the hexagonal phase is stable in bulk. We observe the formation of three parent ordered structures formed by toroidal clusters and two spherical clusters (Type I), toroidal clusters and one spherical cluster (Type II), and toroidal clusters alone (Type III), depending on the radius of the confining shell, that can often coexist with other related structures derived from these parent ones by a simple transformation, in which the system is divided in two hemispheres that are rotated with respect to each other by a given angle. We propose a general method to characterize and predict the structures obtained under confinement in spherical shells in systems able to self-assemble into a hexagonal phase in bulk. We also show that deforming the spherical shells into ellipsoidal ones affects the structure of the system in such a way that helical structures are favoured by prolate ellipsoids and toroidal structures by oblate ellipsoids.
Fil: Serna, Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; Argentina
Fil: Meyra, Ariel German. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; Argentina. Universidad Tecnológica Nacional; Argentina
Fil: Noya, Eva G.. Consejo Superior de Investigaciones Científicas; España
Fil: Gózd, Wojciech T.. Institute of Physical Chemistry Polish Academy of Sciences; Polonia
description Systems with short-range attraction and long-range repulsion can form ordered microphases in bulk and under confinement. In fact, confinement has been proven a good strategy to induce the formation of novel ordered microphases that might be appealing to the development of functional nanomaterials. Using Grand Canonical Monte Carlo (GCMC) simulations, we study a model colloidal system with competing interactions under confinement in narrow spherical shells at thermodynamic conditions at which the hexagonal phase is stable in bulk. We observe the formation of three parent ordered structures formed by toroidal clusters and two spherical clusters (Type I), toroidal clusters and one spherical cluster (Type II), and toroidal clusters alone (Type III), depending on the radius of the confining shell, that can often coexist with other related structures derived from these parent ones by a simple transformation, in which the system is divided in two hemispheres that are rotated with respect to each other by a given angle. We propose a general method to characterize and predict the structures obtained under confinement in spherical shells in systems able to self-assemble into a hexagonal phase in bulk. We also show that deforming the spherical shells into ellipsoidal ones affects the structure of the system in such a way that helical structures are favoured by prolate ellipsoids and toroidal structures by oblate ellipsoids.
publishDate 2023
dc.date.none.fl_str_mv 2023-06
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/250861
Serna, Horacio; Meyra, Ariel German; Noya, Eva G.; Gózd, Wojciech T.; Structural characterization of systems with competing interactions confined in narrow spherical shells; Royal Society of Chemistry; Soft Matter; 19; 27; 6-2023; 5103-5117
1744-683X
CONICET Digital
CONICET
url http://hdl.handle.net/11336/250861
identifier_str_mv Serna, Horacio; Meyra, Ariel German; Noya, Eva G.; Gózd, Wojciech T.; Structural characterization of systems with competing interactions confined in narrow spherical shells; Royal Society of Chemistry; Soft Matter; 19; 27; 6-2023; 5103-5117
1744-683X
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlehtml/2023/sm/d3sm00442b
info:eu-repo/semantics/altIdentifier/doi/10.1039/D3SM00442B
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.22299

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