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Molecular-dynamics simulations of the thermal glass transition in polymer melts: α-relaxation behavior

Molecular-dynamics simulations of the thermal glass transition in polymer melts: α-relaxation behavior

We present molecular-dynamics simulations of the thermal glass transition in a dense model polymer liquid. We performed a comparative study of both constant volume and constant pressure cooling of the polymer melt. Great emphasis was laid on a careful equilibration of the dense polymer melt at all studied temperatures. Our …