Abstract:Molecular Dynamics (MD) simulations were carried out in a microcanonical ensemble to compute the Gruneisen parameter (denoted as γ) of a liquid of bead-spring chains having 10 beads/chain. γ was studied over a wide range of temperatures below and above the glass transition temperature. We found that the Gruneisen parameter varied in the range of 2.1–3.1 and was significantly higher than typically observed experimentally in real polymers. In the glass, a theory was developed for γ using a cell model in which th… Show more
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