Exploring the ability of a multiscale coarse-grained potential to describe the stress-strain response of glassy polystyrene.

Abstract

A new particle-based bottom-up method to develop coarse-grained models of polymers is presented and applied to polystyrene. The multiscale coarse-graining (MS-CG) technique of Izvekov et al. [J. Chem. Phys. 120, 10896 (2004)] is applied to a polymer system to calculate nonbonded interactions. The inverse Boltzmann inversion method was used to parametrize… (More)

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@article{Rosch2013ExploringTA, title={Exploring the ability of a multiscale coarse-grained potential to describe the stress-strain response of glassy polystyrene.}, author={Thomas W. Rosch and John K. Brennan and Sergei Izvekov and Jan W. Andzelm}, journal={Physical review. E, Statistical, nonlinear, and soft matter physics}, year={2013}, volume={87 4}, pages={042606} }