| In this brief report we present and assess the use of nonequilibrium molecular dynamics simulation method for the direct study of the linear viscoelastic behavior of polymer melts. The melt is modeled by a collection of repulsive, anharmonic multibead chains and subjected to small amplitude oscillatory shear flow. We present results for chain lengths below the critical entanglement length and obtain good agreement with theoretical results for the viscoelastic behavior of melts of low molecular weight. The range of oscillation frequencies attainable in the simulation is of a few decades. Thus we use, as in experiments, the time-temperature superposition principle to extend the frequency domain.
for LaTeX users @article{JGHernándezCifre2004-13,
author = {J. G. Hernández Cifre and S. Hess and M. Kr\"oger},
title = {Linear viscoelastic behavior of unentangled polymer melts via nonequilibrium molecular dynamics},
journal = {Macromol. Theory Simul.},
volume = {13},
pages = {748-753},
year = {2004}
}
\bibitem{JGHernándezCifre2004-13} J.G. Hernández Cifre, S. Hess, M. Kr\"oger,
Linear viscoelastic behavior of unentangled polymer melts via nonequilibrium molecular dynamics,
Macromol. Theory Simul. {\bf 13} (2004) 748-753.JGHernándezCifre2004-13
J.G. Hernández Cifre, S. Hess, M. Kr\"oger
Linear viscoelastic behavior of unentangled polymer melts via nonequilibrium molecular dynamics
Macromol. Theory Simul.,13,2004,748-753 |
mk@mat.ethz.ch
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