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Title: Dynamic arrest in polymer melts: competition between packing and intramolecular barriers
Author: Bernabei, Marco
Moreno, Ángel J.
Colmenero, Juan
Keywords: Dinàmica molecular
Matèria condensada
Molecular dynamics
Condensed matter
Issue Date: 15-Dec-2008
Publisher: American Physical Society
Abstract: We present molecular dynamics simulations of a simple model for polymer melts with intramolecular barriers. We investigate structural relaxation as a function of the barrier strength. Dynamic correlators can be consistently analyzed within the framework of the mode coupling theory of the glass transition. Control parameters are tuned in order to induce a competition between general packing effects and polymer-specific intramolecular barriers as mechanisms for dynamic arrest. This competition yields unusually large values of the so-called mode coupling theory exponent parameter and rationalizes qualitatively different observations for simple bead-spring and realistic polymers. The systematic study of the effect of intramolecular barriers presented here also establishes a fundamental difference between the nature of the glass transition in polymers and in simple glass formers.
Note: Reproducció del document publicat a:
It is part of: Physical Review Letters, 2008, vol. 101, p. 255701-1-255701-4
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ISSN: 0031-9007
Appears in Collections:Articles publicats en revistes (Física de la Matèria Condensada)

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