- -

Computer simulation of the heterogeneity of segmental dynamics inamorphous polymers

RiuNet: Institutional repository of the Polithecnic University of Valencia

Share/Send to

Cited by

Statistics

  • Estadisticas de Uso

Computer simulation of the heterogeneity of segmental dynamics inamorphous polymers

Show simple item record

Files in this item

dc.contributor.author Molina Mateo, José es_ES
dc.contributor.author Torregrosa Cabanilles, Constantino es_ES
dc.contributor.author Sabater i Serra, Roser es_ES
dc.contributor.author Meseguer Dueñas, José María es_ES
dc.contributor.author Gómez Ribelles, José Luís es_ES
dc.date.accessioned 2014-07-22T09:23:13Z
dc.date.issued 2013-02-15
dc.identifier.issn 0022-3093
dc.identifier.uri http://hdl.handle.net/10251/38950
dc.description.abstract The heterogeneity of local segmental dynamics in a polymer system is analyzed by computer simulation with the Bond Fluctuation Model. A different approach is proposed based on the concept of Dynamically Accessible Volume (DAV) due to the difficulties encountered in the characterization of this heterogeneity by means of the distribution of relaxation times. A DAV value is assigned to each polymer chain as the fraction of cells in its surroundings that could be occupied in one Monte Carlo Step. In this way it is possible to relate the mobility of a chain with the accessible volume around it, due to the relationship between DAV and diffusion coefficient. As temperature decreases in equilibrium the DAV distribution shifts towards lower values, its width decreases and the number of frozen molecules increases. The methodology proposed also provides a way of characterizing the evolution of segmental dynamics distribution in out of equilibrium states below glass transition temperatures. es_ES
dc.description.sponsorship The authors would like to acknowledge the support provided by the Conselleria d'Educacio of the Generalitat Valenciana through the GV/2009/033 project. The translation of this paper was funded by the Universidad Politecnica de Valencia, Spain. en_EN
dc.language Inglés es_ES
dc.publisher Elsevier es_ES
dc.relation.ispartof Journal of Non-Crystalline Solids es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Simulation es_ES
dc.subject Dynamically Accesible Volume es_ES
dc.subject Bond Fluctuation Model es_ES
dc.subject Structural relaxation es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.subject.classification INGENIERIA ELECTRICA es_ES
dc.subject.classification MAQUINAS Y MOTORES TERMICOS es_ES
dc.title Computer simulation of the heterogeneity of segmental dynamics inamorphous polymers es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1016/j.jnoncrysol.2012.11.034
dc.relation.projectID info:eu-repo/grantAgreement/Generalitat Valenciana//GV%2F2009%2F033/ES/Simulación mediante técnicas de Monte Carlo de la evolución del volumen dinámicamente accesible en la transición vítrea y la relajación estructural en materiales poliméricos/ es_ES
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Ingeniería Eléctrica - Departament d'Enginyeria Elèctrica es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Termodinámica Aplicada - Departament de Termodinàmica Aplicada es_ES
dc.contributor.affiliation Universitat Politècnica de València. Centro de Biomateriales e Ingeniería Tisular - Centre de Biomaterials i Enginyeria Tissular es_ES
dc.description.bibliographicCitation Molina Mateo, J.; Torregrosa Cabanilles, C.; Sabater I Serra, R.; Meseguer Dueñas, JM.; Gómez Ribelles, JL. (2013). Computer simulation of the heterogeneity of segmental dynamics inamorphous polymers. Journal of Non-Crystalline Solids. 362:175-179. https://doi.org/10.1016/j.jnoncrysol.2012.11.034 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://dx.doi.org/10.1016/j.jnoncrysol.2012.11.034 es_ES
dc.description.upvformatpinicio 175 es_ES
dc.description.upvformatpfin 179 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 362 es_ES
dc.relation.senia 253589
dc.contributor.funder Generalitat Valenciana es_ES


This item appears in the following Collection(s)

Show simple item record