Macromolecules, Vol.38, No.10, 4472-4483, 2005
Static and dynamic behavior in model dendrimer melts: Toward the glass transition
Molecular dynamics (MD) simulations were employed in order to explore the static and dynamic response of model AB2 dendrimer melts of generations 3 and 4, in a temperature range covering the states of enhanced mobility, as well as the states where a significant dynamic slowdown led to a virtual freezing-in of the dendrimer motion. Particular emphasis was given to the investigation of the motional and conformational changes of the models in the proximity of a glasslike transition observed upon temperature decrease. The qualitative picture emerging from this study is consistent with recent pertinent experiments, offering thus the possibility for a better understanding of basic mechanisms responsible for the observed behavior.