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Journal of Physics Condensed Matter
Article . 2007 . Peer-reviewed
Data sources: Crossref
https://dx.doi.org/10.48550/ar...
Article . 2006
License: arXiv Non-Exclusive Distribution
Data sources: Datacite
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Atomic motions in the αβ-region of glass-forming polymers: molecular versus mode coupling theory approach

Authors: Colmenero de León, Juan; Narros, Arturo; Álvarez González, Fernando; Arbe, Arantxa; Moreno Segurado, Ángel J.;

Atomic motions in the αβ-region of glass-forming polymers: molecular versus mode coupling theory approach

Abstract

We present fully atomistic Molecular Dynamics simulation results on a main-chain polymer, 1,4-Polybutadiene, in the merging region of the $α$- and $beta$-relaxations. A real space analysis reveals the occurrence of localized motions (``$β$-like'') in addition to the diffusive structural relaxation. A molecular approach provides a direct connection between the local conformational changes reflected in the atomic motions and the secondary relaxations in this polymer. Such local processes occur just in the time window where the $β$-process of the Mode Coupling Theory is expected. We show that the application of this theory is still possible, and yields an unusually large value of the exponent parameter. This result might originate from the competition between two mechanisms for dynamic arrest: intermolecular packing and intramolecular barriers for local conformational changes (``$β$-like'').

10 pages, 6 figures

Keywords

Soft Condensed Matter (cond-mat.soft), FOS: Physical sciences, Condensed Matter - Soft Condensed Matter

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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