An alternative approach to evidence the structural conditioning in the dynamic slowdown in a polymer glass-former

Autores
Balbuena, Cristian; Soulé, Ezequiel Rodolfo
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Dynamic slowdown of liquids, leading to a breakdown of Arrhenius behavior of relaxation and Stokes-Einstein relationship (SER), as the glass transition is approached, is still not fully understood despite decades of study. They are usually associated to the emergence of dynamic heterogeneity, that is, regions or clusters of particles that have high or low mobilities. But the physical origin of these dynamic heterogeneity, and in particular, the question whether they have a structural origin or they are a purely dynamical phenomenon, is still under debate. In this work we study through molecular dynamics simulations in a polymer model the dynamic slowdown and the breakdown of SER, in connection with dynamic susceptibility calculated for an isoconfigurational ensemble, such that the effects of structure on dynamics can be discriminated. The onset of structure effects on dynamical behavior is found to be coincident with the onset of slow dynamics and SER breakdown.
Fil: Balbuena, Cristian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Fil: Soulé, Ezequiel Rodolfo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Materia
DYNAMIC CORRELATIONS
DYNAMIC HETEROGENEITY
GLASSY POLYMER
ISOCONFIGURATIONAL ENSEMBLE
STATIC CORRELATION
STOKES-EINSTEIN RELATIONSHIP
SUPERCOOLED LIQUID
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/119673
Acceder
id CONICETDig_22a2175c5f915c4bb3b7ed24537b467e
oai_identifier_str oai:ri.conicet.gov.ar:11336/119673
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling An alternative approach to evidence the structural conditioning in the dynamic slowdown in a polymer glass-formerBalbuena, CristianSoulé, Ezequiel RodolfoDYNAMIC CORRELATIONSDYNAMIC HETEROGENEITYGLASSY POLYMERISOCONFIGURATIONAL ENSEMBLESTATIC CORRELATIONSTOKES-EINSTEIN RELATIONSHIPSUPERCOOLED LIQUIDhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Dynamic slowdown of liquids, leading to a breakdown of Arrhenius behavior of relaxation and Stokes-Einstein relationship (SER), as the glass transition is approached, is still not fully understood despite decades of study. They are usually associated to the emergence of dynamic heterogeneity, that is, regions or clusters of particles that have high or low mobilities. But the physical origin of these dynamic heterogeneity, and in particular, the question whether they have a structural origin or they are a purely dynamical phenomenon, is still under debate. In this work we study through molecular dynamics simulations in a polymer model the dynamic slowdown and the breakdown of SER, in connection with dynamic susceptibility calculated for an isoconfigurational ensemble, such that the effects of structure on dynamics can be discriminated. The onset of structure effects on dynamical behavior is found to be coincident with the onset of slow dynamics and SER breakdown.Fil: Balbuena, Cristian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; ArgentinaFil: Soulé, Ezequiel Rodolfo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; ArgentinaIOP Publishing2019-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/119673Balbuena, Cristian; Soulé, Ezequiel Rodolfo; An alternative approach to evidence the structural conditioning in the dynamic slowdown in a polymer glass-former; IOP Publishing; Journal of Physics: Condensed Matter; 32; 4; 10-2019; 1-90953-8984CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://iopscience.iop.org/article/10.1088/1361-648X/ab4a67info:eu-repo/semantics/altIdentifier/doi/10.1088/1361-648X/ab4a67info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:35:03Zoai:ri.conicet.gov.ar:11336/119673instacron: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:34982025-09-29 10:35:04.072CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv An alternative approach to evidence the structural conditioning in the dynamic slowdown in a polymer glass-former
title An alternative approach to evidence the structural conditioning in the dynamic slowdown in a polymer glass-former
spellingShingle An alternative approach to evidence the structural conditioning in the dynamic slowdown in a polymer glass-former
Balbuena, Cristian
DYNAMIC CORRELATIONS
DYNAMIC HETEROGENEITY
GLASSY POLYMER
ISOCONFIGURATIONAL ENSEMBLE
STATIC CORRELATION
STOKES-EINSTEIN RELATIONSHIP
SUPERCOOLED LIQUID
title_short An alternative approach to evidence the structural conditioning in the dynamic slowdown in a polymer glass-former
title_full An alternative approach to evidence the structural conditioning in the dynamic slowdown in a polymer glass-former
title_fullStr An alternative approach to evidence the structural conditioning in the dynamic slowdown in a polymer glass-former
title_full_unstemmed An alternative approach to evidence the structural conditioning in the dynamic slowdown in a polymer glass-former
title_sort An alternative approach to evidence the structural conditioning in the dynamic slowdown in a polymer glass-former
dc.creator.none.fl_str_mv Balbuena, Cristian
Soulé, Ezequiel Rodolfo
author Balbuena, Cristian
author_facet Balbuena, Cristian
Soulé, Ezequiel Rodolfo
author_role author
author2 Soulé, Ezequiel Rodolfo
author2_role author
dc.subject.none.fl_str_mv DYNAMIC CORRELATIONS
DYNAMIC HETEROGENEITY
GLASSY POLYMER
ISOCONFIGURATIONAL ENSEMBLE
STATIC CORRELATION
STOKES-EINSTEIN RELATIONSHIP
SUPERCOOLED LIQUID
topic DYNAMIC CORRELATIONS
DYNAMIC HETEROGENEITY
GLASSY POLYMER
ISOCONFIGURATIONAL ENSEMBLE
STATIC CORRELATION
STOKES-EINSTEIN RELATIONSHIP
SUPERCOOLED LIQUID
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Dynamic slowdown of liquids, leading to a breakdown of Arrhenius behavior of relaxation and Stokes-Einstein relationship (SER), as the glass transition is approached, is still not fully understood despite decades of study. They are usually associated to the emergence of dynamic heterogeneity, that is, regions or clusters of particles that have high or low mobilities. But the physical origin of these dynamic heterogeneity, and in particular, the question whether they have a structural origin or they are a purely dynamical phenomenon, is still under debate. In this work we study through molecular dynamics simulations in a polymer model the dynamic slowdown and the breakdown of SER, in connection with dynamic susceptibility calculated for an isoconfigurational ensemble, such that the effects of structure on dynamics can be discriminated. The onset of structure effects on dynamical behavior is found to be coincident with the onset of slow dynamics and SER breakdown.
Fil: Balbuena, Cristian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Fil: Soulé, Ezequiel Rodolfo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
description Dynamic slowdown of liquids, leading to a breakdown of Arrhenius behavior of relaxation and Stokes-Einstein relationship (SER), as the glass transition is approached, is still not fully understood despite decades of study. They are usually associated to the emergence of dynamic heterogeneity, that is, regions or clusters of particles that have high or low mobilities. But the physical origin of these dynamic heterogeneity, and in particular, the question whether they have a structural origin or they are a purely dynamical phenomenon, is still under debate. In this work we study through molecular dynamics simulations in a polymer model the dynamic slowdown and the breakdown of SER, in connection with dynamic susceptibility calculated for an isoconfigurational ensemble, such that the effects of structure on dynamics can be discriminated. The onset of structure effects on dynamical behavior is found to be coincident with the onset of slow dynamics and SER breakdown.
publishDate 2019
dc.date.none.fl_str_mv 2019-10
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/11336/119673
Balbuena, Cristian; Soulé, Ezequiel Rodolfo; An alternative approach to evidence the structural conditioning in the dynamic slowdown in a polymer glass-former; IOP Publishing; Journal of Physics: Condensed Matter; 32; 4; 10-2019; 1-9
0953-8984
CONICET Digital
CONICET
url http://hdl.handle.net/11336/119673
identifier_str_mv Balbuena, Cristian; Soulé, Ezequiel Rodolfo; An alternative approach to evidence the structural conditioning in the dynamic slowdown in a polymer glass-former; IOP Publishing; Journal of Physics: Condensed Matter; 32; 4; 10-2019; 1-9
0953-8984
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://iopscience.iop.org/article/10.1088/1361-648X/ab4a67
info:eu-repo/semantics/altIdentifier/doi/10.1088/1361-648X/ab4a67
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv IOP Publishing
publisher.none.fl_str_mv IOP Publishing
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
_version_ 1844614368118964224
score 13.070432

Publicaciones similares