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Abstract: We present molecular dynamics simulations of a simple model for polymer meltswith intramolecular barriers. We investigate structural relaxation as afunction of the barrier strength. Dynamic correlators can be consistentlyanalyzed within the framework of the Mode Coupling Theory MCT of the glasstransition. Control parameters are tuned in order to induce a competitionbetween general packing effects and polymer-specific intramolecular barriers asmechanisms for dynamic arrest. This competition yields unusually large valuesof the so-called MCT exponent parameter and rationalize qualitatively differentobservations for simple bead-spring and realistic polymers. The systematicstudy of the effect of intramolecular barriers presented here also establishesa fundamental difference between the nature of the glass transition in polymersand in simple glass-formers.



Author: Marco Bernabei, Angel J. Moreno, Juan Colmenero

Source: https://arxiv.org/







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