We recently interpreted latest, unusual rheological data in fast extensional flows of Polystyrene (PS) melts by invoking flow-induced friction reduction effects. In order to test this hypothesis, Non- Equilibrium Molecular Dynamics (NEMD) simulations of styrene oligomers were performed to measure the oligomer mobility in fast flows. This computationally heavy task was successfully achieved by using the GRID computing infrastructure.
Non-equilibrium molecular dynamics of oligomeric chains / Ianniruberto, G.; Brasiello, A.; Park, G.; Marrucci, G.. - (2017), pp. 329-341. [10.1142/9789814759717_0028].
Non-equilibrium molecular dynamics of oligomeric chains
Brasiello, A.;
2017
Abstract
We recently interpreted latest, unusual rheological data in fast extensional flows of Polystyrene (PS) melts by invoking flow-induced friction reduction effects. In order to test this hypothesis, Non- Equilibrium Molecular Dynamics (NEMD) simulations of styrene oligomers were performed to measure the oligomer mobility in fast flows. This computationally heavy task was successfully achieved by using the GRID computing infrastructure.File allegati a questo prodotto
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