NDLI: Dielectric α-relaxation of 1,4-polybutadiene confined between graphite walls : Molecular dynamics investigations through numerical simulations of polymer molecules relaxation

Content Provider	Springer Nature Link
Author	Solar, M. Paul, W.
Copyright Year	2015
Abstract	We present results of Molecular Dynamics (MD) simulations of a chemically realistic model of 1,4-polybutadiene confined by crystalline graphite walls. The simulations cover a large range of temperatures from T ≈ 2T g to T ≈ 1.15T g, where relevant time scales are accessible using such computational methods. We investigate the dielectric relaxation close to the walls in comparison to the one in the center of the film, and study the latter as a function of the film thickness from the walls. The segmental dynamics in the film is slowed down close to the walls, in comparison to the bulk. In addition to the α-process, the relaxation exhibits an additional long time decay, the so-called wall desorption process. We focus here on the α-process and find no significant shift of the dielectric T g as a function of layer thickness, in agreement with recent dielectric experiments. These findings can be correlated with the importance of the dihedral dynamics for all relaxation processes in polymers, which is unaltered except for the first nanometer next to the walls.
Starting Page	1
Ending Page	12
Page Count	12
File Format	PDF
ISSN	12928941
Journal	The European Physical Journal E
Volume Number	38
Issue Number	5
e-ISSN	1292895X
Language	English
Publisher	Springer Berlin Heidelberg
Publisher Date	2015-05-15
Publisher Place	Berlin, Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Soft Matter: Polymers and Polyelectrolytes Soft and Granular Matter, Complex Fluids and Microfluidics Biophysics and Biological Physics Surfaces and Interfaces, Thin Films Nanotechnology Polymer Sciences Statistical Physics, Dynamical Systems and Complexity
Content Type	Text
Resource Type	Article
Subject	Chemistry Medicine Biophysics Materials Science Surfaces and Interfaces Biotechnology

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