From caging to Rouse dynamics in polymer melts with intramolecular barriers: A critical test of the mode coupling theory (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• From caging to Rouse dynamics in polymer melts with intramolecular barriers: A critical test of the mode coupling theory (Articolo in rivista) (literal)

Anno

• 2011-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1063/1.3525147] (literal)

Alternative label

• Marco Bernabei (1); Angel J. Moreno (2); Emanuela Zaccarelli (3); Francesco Sciortino (3); Juan Colmenero (1,2,4) (2011)
  From caging to Rouse dynamics in polymer melts with intramolecular barriers: A critical test of the mode coupling theory
  in The Journal of chemical physics
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Marco Bernabei (1); Angel J. Moreno (2); Emanuela Zaccarelli (3); Francesco Sciortino (3); Juan Colmenero (1,2,4) (literal)

Pagina inizio

• 024523 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url

• http://jcp.aip.org/resource/1/jcpsa6/v134/i2/p024523_s1 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 134 (literal)

Rivista

• ?The ?Journal of chemical physics (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 12 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

• 2 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• 1 Donostia International Physics Center, Paseo Manuel de Lardizabal 4, E-20018 San Sebastián, Spain 2 Centro de Física de Materiales (CSIC, UPV/EHU) and Materials Physics Center MPC, Paseo Manuel de Lardizabal 5, E-20018 San Sebastián, Spain 3 Dipartimento di Fisica and CNR-ISC, Università di Roma La Sapienza, Piazzale Aldo Moro 2, I-00185 Roma, Italy 4 Departamento de Física de Materiales, Universidad del País Vasco (UPV/EHU), Apartado 1072, E-20080 San Sebastián, Spain (literal)

Titolo

• From caging to Rouse dynamics in polymer melts with intramolecular barriers: A critical test of the mode coupling theory (literal)

Abstract

• By means of computer simulations and solution of the equations of the mode coupling theory ( MCT), we investigate the role of the intramolecular barriers on several dynamic aspects of nonentangled polymers. The investigated dynamic range extends from the caging regime characteristic of glass-formers to the relaxation of the chain Rouse modes. We review our recent work on this question, provide new results, and critically discuss the limitations of the theory. Solutions of the MCT for the structural relaxation reproduce qualitative trends of simulations for weak and moderate barriers. However, a progressive discrepancy is revealed as the limit of stiff chains is approached. This disagreement does not seem related with dynamic heterogeneities, which indeed are not enhanced by increasing barrier strength. It is not connected either with the breakdown of the convolution approximation for three-point static correlations, which retains its validity for stiff chains. These findings suggest the need of an improvement of the MCT equations for polymer melts. Concerning the relaxation of the chain degrees of freedom, MCT provides a microscopic basis for time scales from chain reorientation down to the caging regime. It rationalizes, from first principles, the observed deviations from the Rouse model on increasing the barrier strength. These include anomalous scaling of relaxation times, long-time plateaux, and nonmonotonous wavelength dependence of the mode correlators (literal)

Prodotto di

• Materia soffice: Self Assembly, Clustering, Arresto Strutturale (MD.P02.015.001) (Modulo)

Autore CNR

• FRANCESCO SCIORTINO (Unità di personale esterno)
• EMANUELA ZACCARELLI (Unità di personale interno)

Insieme di parole chiave

• Parole chiave di "From caging to Rouse dynamics in polymer melts with intramolecular barriers: A critical test of the mode coupling theory" (Insieme di parole chiave)

Incoming links:

Autore CNR di

• EMANUELA ZACCARELLI (Unità di personale interno)
• FRANCESCO SCIORTINO (Unità di personale esterno)

Prodotto

• Materia soffice: Self Assembly, Clustering, Arresto Strutturale (MD.P02.015.001) (Modulo)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• ?The ?Journal of chemical physics (Rivista)

Insieme di parole chiave di

• Parole chiave di "From caging to Rouse dynamics in polymer melts with intramolecular barriers: A critical test of the mode coupling theory" (Insieme di parole chiave)