https://doi.org/10.1140/epje/i2017-11535-3
Tips and Tricks
Numerical determination of shear stress relaxation modulus of polymer glasses
Institut Charles Sadron, Université de Strasbourg & CNRS, 23 rue du Loess, 67034, Strasbourg Cedex, France
* e-mail: joachim.wittmer@ics-cnrs.unistra.fr
Received:
17
February
2017
Accepted:
23
March
2017
Published online:
11
April
2017
Focusing on simulated polymer glasses well below the glass transition, we confirm the validity and the efficiency of the recently proposed simple-average expression for the computational determination of the shear stress relaxation modulus G(t). Here,
characterizes the affine shear transformation of the system at t = 0 and h(t) the mean-square displacement of the instantaneous shear stress as a function of time t. This relation is seen to be particulary useful for systems with quenched or sluggish transient shear stresses which necessarily arise below the glass transition. The commonly accepted relation
using the shear stress auto-correlation function c(t) becomes incorrect in this limit.
Key words: Tips and Tricks
© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg, 2017