Torregrosa Cabanilles, C.; Molina Mateo, J.; Sabater I Serra, R.; Meseguer Dueñas, JM.; Gómez Ribelles, JL. (2018). Fluctuations of conformational mobility of macromolecules around the glass transition. Physical Review E. 97(6):062605-1-062605-7. https://doi.org/10.1103/PhysRevE.97.062605
Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/126157
Title:
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Fluctuations of conformational mobility of macromolecules around the glass transition
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Author:
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Torregrosa Cabanilles, Constantino
Molina Mateo, José
Sabater i Serra, Roser
Meseguer Dueñas, José María
Gómez Ribelles, José Luís
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UPV Unit:
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Universitat Politècnica de València. Departamento de Ingeniería Eléctrica - Departament d'Enginyeria Elèctrica
Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada
Universitat Politècnica de València. Departamento de Termodinámica Aplicada - Departament de Termodinàmica Aplicada
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Issued date:
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Abstract:
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[EN] The heterogeneity of local dynamics in disordered systems is behind some key features of glass transition. In
order to improve our understanding of the molecular dynamics in disordered systems in the vicinity of the ...[+]
[EN] The heterogeneity of local dynamics in disordered systems is behind some key features of glass transition. In
order to improve our understanding of the molecular dynamics in disordered systems in the vicinity of the glass
transition, different parameters have been proposed to quantitatively describe dynamical heterogeneity. In the
case of polymers, free volume models relate the macromolecular mobility to the free or accessible volume. The
relationship between dynamic heterogeneity and fluctuations of accessible volume seems straightforward. In the
present work, the heterogeneity of local dynamics in polymeric systems is analyzed by computer simulation with
the bond fluctuation model. The value of the accessible volume around each polymer chain is evaluated from
a snapshot or static structure at each system state, resulting in a distribution of accessible volume that reflects
system heterogeneity. The relationship between the average value and the standard deviation of free volume
distributions at different temperatures fits amaster curve for different systems, regardless of the specific inter- and
intramolecular interaction potentials that define each material. The dynamic slowdown around the glass transition
is accompanied by a clear evolution of the mean value and shape of the accessible free volume distribution. The
relative fluctuation of the dynamically accessible volume has been used as a parameter to quantitatively describe
heterogeneity. The fluctuation varies with temperature with remarkable differences between the liquid and glassy
states of the systems studied, presenting a peak at the glass transition temperature, which can be interpreted as a
reflection of the distribution of local glass transition temperatures.
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Subjects:
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Glass transition
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Copyrigths:
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Reserva de todos los derechos
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Source:
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Physical Review E. (issn:
1539-3755
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DOI:
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10.1103/PhysRevE.97.062605
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Publisher:
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American Physical Society
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Publisher version:
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http://doi.org/10.1103/PhysRevE.97.062605
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Project ID:
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info:eu-repo/grantAgreement/MINECO//MAT2016-76039-C4-1-R/ES/BIOMATERIALES PIEZOELECTRICOS PARA LA DIFERENCIACION CELULAR EN INTERFASES CELULA-MATERIAL ELECTRICAMENTE ACTIVAS/
info:eu-repo/grantAgreement/MECD//PRX16%2F00208/
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Thanks:
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The support from the Ministry of Economy and Competitiveness (Spain) through Project No. MAT2016-76039-C4-1-R (including the FEDER financial support) is gratefully acknowledged. R.S.S. acknowledges the support of the ...[+]
The support from the Ministry of Economy and Competitiveness (Spain) through Project No. MAT2016-76039-C4-1-R (including the FEDER financial support) is gratefully acknowledged. R.S.S. acknowledges the support of the Ministry of Education, Culture and Sports (Spain) through the program "Estancias de movilidad de profesores e investigadores seniores en centros extranjeros de ensenanza superior e investigacion 2016 under Grant No. PRX16/00208". CIBER-BBN is an initiative funded by the VI National R&D&I Plan 2008-2011, Iniciativa Ingenio 2010, Consolider Program. CIBER Actions are financed by the Instituto de Salud Carlos III with assistance from the European Regional Development Fund.
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Type:
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Artículo
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