Stochastic multiscale modeling of random interphases in nanoreinforced polymers

Abstract : This presentation is concerned with the multiscale analysis of nanoreinforced heterogeneous materials. Because of the so-called surface effect, the latter typically exhibit a strong reinforcement effect at low volume fractions. Indeed, both experimental and numerical investigations have demonstrated the existence of a perturbed area, named the interphase hereafter, at the boundary between the filler and the matrix phase. In this work, we address the construction and identification of a stochastic model for the interphase properties making use of an atomistic representation of the composite system. To this aim, we first perform a set of molecular dynamics (MD) simulations on a model polymer containing spherical nano-inhomogeneities. These simulations provide a complete description of the local morphology of the polymer chains near the fillers, hence allowing for the construction of a suitable random field model. This model is subsequently identified through a statistical inverse problems involving MD results. The impact of such randomness on macroscale properties is finally characterized using a stochastic homogenization procedure.
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Contributor : Christian Soize <>
Submitted on : Saturday, May 30, 2015 - 9:18:31 PM
Last modification on : Wednesday, September 4, 2019 - 1:52:13 PM

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Thinh-Tien Le, Johann Guilleminot, Christian Soize. Stochastic multiscale modeling of random interphases in nanoreinforced polymers. UNCECOMP 2015, 1st ECCOMAS Thematic International Conference on Uncertainty Quantification in Computational Sciences and Engineering, May 2015, The Island of Crete, Greece. ⟨hal-01158283⟩

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