A Monte Carlo study of the glass transition in three-dimensional polymer melts

The glass transition of densely packed linear polymer chains has been investigated by means of the three-dimensional bond-fluctuation model including van der Waals interaction and bond-length potential. The computer simulations presented here are based on different chain-lengths, cooling rates, and a wide range of temperatures. All monitored static and dynamic properties of the polymer melt change distinctly at one characteristic temperature, identified as T-g. Variations of the chain-length from 50 up to 200 monomers per chain yield nearly identical behavior, while an increase of the cooling rate from Gamma(Q) = 2.7 x 10(-8) MCS(-1) (Monte Carlo steps) to infinity causes pronounced differences below T-g both in static and dynamic properties.