Thermoplastic Glass Transition Temperature Studies with MedeA


Minisini B., Rigby D., Freeman C.


Different properties accessible by atomistic simulation have been be monitored to determine the atomistic glass transition temperature (aTg) of polymer since the initial work of Rigby et al.[1]. However, atomistic dilatometry is still the more common practice. So in this poster we will present how to implement a consistent protocol with LAMMPS MedeA® GUI and some applications of atomistic dilatometry relevant for engineering applications. Comparison with experimental results will be provided and discussed for Polystyrene.