Mostrar el registro sencillo del ítem
dc.contributor.author
Balbuena, Cristian
dc.contributor.author
Gianetti, Melisa Mariel
dc.contributor.author
Soulé, Ezequiel Rodolfo
dc.date.available
2019-08-26T20:54:56Z
dc.date.issued
2018-09
dc.identifier.citation
Balbuena, Cristian; Gianetti, Melisa Mariel; Soulé, Ezequiel Rodolfo; Looking at the dynamical heterogeneity in a supercooled polymer system through isoconfigurational ensemble; American Institute of Physics; Journal of Chemical Physics; 149; 9; 9-2018; 1-9; 094506
dc.identifier.issn
0021-9606
dc.identifier.uri
http://hdl.handle.net/11336/82182
dc.description.abstract
The dynamic correlations that emerge in a polymer system in supercooling conditions have been studied using molecular dynamic simulations. It is known that when a glass former approaches the glass transition temperature, the dynamics of the system (in terms of the mobilities of the particles) not only significantly slows down but also becomes more heterogeneous. Several theories relate this slowing down to increasing spatial (structural) correlations, for example, through the onset of cooperative relaxation regions in the Adam-Gibbs theory. In this work, we employ Pearson’s coefficient in the isoconfigurational ensemble (ICE) which allows us to study the dynamic correlations of the monomers in the ICE and establish the relation between the structure of the monomers and its dynamic behavior. Similar to what happens with mobility, monomers with highest correlation are clustered, and the clustering increases with decreasing temperature. An interesting result is that regions with high ICE dynamic correlation are not coincident with highly mobile or immobile regions. These results represent a new approach to the study of dynamic heterogeneity that emerges in glass forming liquids, complementing the more traditional characterization in terms of mobility. The methodology proposed in this work that characterize the connected dynamic regions to structural causes can represent an alternative way to observe the cooperative relaxation regions.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Institute of Physics
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Supercooled
dc.subject
Isoconfigurational Ensemble
dc.subject
Dynamical Heterogeneity
dc.subject
Dynamic Correlation
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica
dc.subject.classification
Ciencias Químicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.subject.classification
Ingeniería de los Materiales
dc.subject.classification
Ingeniería de los Materiales
dc.subject.classification
INGENIERÍAS Y TECNOLOGÍAS
dc.title
Looking at the dynamical heterogeneity in a supercooled polymer system through isoconfigurational ensemble
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2019-08-01T21:55:04Z
dc.journal.volume
149
dc.journal.number
9
dc.journal.pagination
1-9; 094506
dc.journal.pais
Estados Unidos
dc.description.fil
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
dc.description.fil
Fil: Gianetti, Melisa Mariel. 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
dc.description.fil
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
dc.journal.title
Journal of Chemical Physics
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1063/1.5039644
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.5039644
Archivos asociados