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Discrete and Continuous Methods for Modelling and Simulation of Polymeric Materials

Discrete and Continuous Methods for Modelling and Simulation of Polymeric Materials

(Own Funds)

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Start date: 1. May 2008
End date: 1. May 2011
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Abstract

Classical continuum approaches do not explicitly consider the specific atomistic or molecular structure of materials. Thus, they are not well suited to describe properly highly multiscale phenomena as for instance crack propagation or interphase effects in polymer materials. To integrate the atomistic level of resolution, the “Capriccio” method has been developed as a novel multiscale technique and is employed to study e.g. the impact of nano-scaled filler particles on the mechanical properties of polymer-nanocomposites. Further research activities focus on adaptive particle-based regions moving within the continuum, which is essential for multiscale simulation of crack propagation.

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