A key point to understand the glass transition is the relationship between structural and dynamic behavior experienced by a glass former when it approaches Tg. In this work, the relaxation in a simple bead-spring polymer system in the supercooled regime near its glass transition temperature was investigated with molecular dynamic simulations. We develop a new manner to look at the dynamic length scales in a supercooled polymeric system, focusing on correlated motion of particles in an isoconfigurational ensemble (that is, associated with the structure), as measured by Pearson’s correlation coefficient. We found that while the usual dynamic four-point correlation length deviates from the structural (mosaic or point-to-set) length scale at low temperatures, Pearson’s length behaves similarly to the static length in the whole temperature range. The results lead to a consensus of similar scaling of structural and dynamical length scales, reinforcing the idea of the theories of Adam-Gibbs and random first order transition.

Static and dynamic correlation lengths in supercooled polymers / C. Balbuena, M.M. Gianetti, E.R. Soulé. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 150:23(2019 Jun 21), pp. 234508.1-234508.7. [10.1063/1.5091682]

Static and dynamic correlation lengths in supercooled polymers

M.M. Gianetti
Secondo
;
2019

Abstract

A key point to understand the glass transition is the relationship between structural and dynamic behavior experienced by a glass former when it approaches Tg. In this work, the relaxation in a simple bead-spring polymer system in the supercooled regime near its glass transition temperature was investigated with molecular dynamic simulations. We develop a new manner to look at the dynamic length scales in a supercooled polymeric system, focusing on correlated motion of particles in an isoconfigurational ensemble (that is, associated with the structure), as measured by Pearson’s correlation coefficient. We found that while the usual dynamic four-point correlation length deviates from the structural (mosaic or point-to-set) length scale at low temperatures, Pearson’s length behaves similarly to the static length in the whole temperature range. The results lead to a consensus of similar scaling of structural and dynamical length scales, reinforcing the idea of the theories of Adam-Gibbs and random first order transition.
Supercooled polymer; Dynamic Correlation; Static Correlation
Settore ING-IND/22 - Scienza e Tecnologia dei Materiali
21-giu-2019
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/742292
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