Relaxation times in deformed polymer glasses: A comparison between molecular simulations and two theories

TitleRelaxation times in deformed polymer glasses: A comparison between molecular simulations and two theories
Publication TypeJournal Article
Year of Publication2016
AuthorsRottler, Jörg
JournalThe Journal of Chemical Physics
Volume145
Pagination064505
ISSN0021-9606, 1089-7690
Keywordscreep, Glasses, molecular dynamics, Relaxation times, shear deformation
AbstractRelaxation times in polymer glasses are computed with molecular dynamics simulations of a coarse-grained polymer model during creep and constant strain rate deformation. The dynamics is governed by a competition between physical aging that increases relaxation times and applied load or strain rate which accelerates dynamics. We compare the simulation results quantitatively to two recently developed theories of polymer deformation, which treat aging and rejuvenation in an additive manner. Through stress release and strain rate reversal simulations, we then show that the quantity governing mechanical rejuvenation is the rate of irreversible work performed on the polymer.
URLhttp://scitation.aip.org/content/aip/journal/jcp/145/6/10.1063/1.4960208
DOI10.1063/1.4960208
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