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Multiple character of non-monotonic size-dependence for relaxation dynamics in polymer-particle and binary mixtures

Zirdehi, Elias M. and Voigtmann, Thomas and Varnik, Fathollah (2020) Multiple character of non-monotonic size-dependence for relaxation dynamics in polymer-particle and binary mixtures. Journal of Physics - Condensed Matter, 32, 2751`04. Institute of Physics (IOP) Publishing. doi: 10.1088/1361-648X/ab757c. ISSN 0953-8984.

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Abstract

Adding plasticizers is a well-known procedure to reduce the glass transition temperature in polymers. It has been recently shown that this effect shows a non-monotonic dependence on the size of additive molecules (2019 J. Chem. Phys. 150 024903). In this work, we demonstrate that, as the size of the additive molecules is changed at fixed concentration, multiple extrema emerge in the dependence of the system's relaxation time on the size ratio. The effect occurs on all relevant length scales including single monomer dynamics, decay of Rouse modes and relaxation of the chain's end-to-end vector. A qualitatively similar trend is found within mode-coupling theoretical results for a binary hard-sphere mixture. An interpretation of the effect in terms of local packing efficiency and coupling between the dynamics of minority and majority species is provided.

Item URL in elib:https://elib.dlr.de/135038/
Document Type:Article
Title:Multiple character of non-monotonic size-dependence for relaxation dynamics in polymer-particle and binary mixtures
Authors:
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Zirdehi, Elias M.Ruhr-Universität BochumUNSPECIFIED
Voigtmann, ThomasUNSPECIFIEDUNSPECIFIED
Varnik, FathollahRuhr-Universität BochumUNSPECIFIED
Date:2020
Journal or Publication Title:Journal of Physics - Condensed Matter
Refereed publication:Yes
Open Access:Yes
Gold Open Access:No
In SCOPUS:Yes
In ISI Web of Science:Yes
Volume:32
DOI:10.1088/1361-648X/ab757c
Page Range:2751`04
Publisher:Institute of Physics (IOP) Publishing
ISSN:0953-8984
Status:Published
Keywords:molecular dynamics simulations; plasticizers; binary mixtures; mode coupling theory
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Space
HGF - Program Themes:Research under Space Conditions
DLR - Research area:Raumfahrt
DLR - Program:R FR - Research under Space Conditions
DLR - Research theme (Project):R - Material Design and New Materials
Location: Köln-Porz
Institutes and Institutions:Institute of Materials Physics in Space
Deposited By: Voigtmann, Dr.rer.nat. Thomas
Deposited On:25 May 2020 07:14
Last Modified:25 May 2020 07:14

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