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Thermoplastic Glass Transition Temperature Studies with MedeA

2019

Minisini B., Rigby D., Freeman C.

Researchgate

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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.

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