Modeling of the multiscale dispersion of nanoparticles in a hematite coating

Enguerrand Couka 1 François Willot 1 Dominique Jeulin 1 Mona Ben Achour 2 Anthony Chesnaud 2 Alain Thorel 2
1 CMM - Centre de Morphologie Mathématique
2 MAT - Centre des Matériaux
Abstract : Images of a hematite-based epoxy coating are obtained by scanning electron microscopy (SEM). At the scale of a few micrometers, they show aggregates of hematite nano-particles organized along thin curved channels. We first segment the images and analyze them using mathematical morphology. The heterogeneous dispersion of particles is quantified using the correlation function and the granulometry of the embedding (epoxy) phase. Second, a two-scales, 3D random microstructure model with exclusion zones is proposed to simulate the spatial distribution of particles. This simple model is parametrized by four geometrical parameters related to the exclusion zones solely. The microstructure is numerically optimized, in the space of morphological parameters, on the granulometry of the embedding epoxy phase and on the microstructure correlation function, by standard gradient-descent methods. Excellent agreement is found between the SEM images and our optimized model. Finally, the size of the representative volume element associated to the optimized microstructure model is compared with that of the SEM images.
keyword : Microstructure optimization Random media Nanomaterials Granulometry Coating
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Enguerrand Couka, François Willot, Dominique Jeulin, Mona Ben Achour, Anthony Chesnaud, et al.. Modeling of the multiscale dispersion of nanoparticles in a hematite coating. Journal of Nanoscience and Nanotechnology, American Scientific Publishers, 2015, 15 (5), pp. 3515-3521(7). ⟨10.1166/jnn.2015.9855⟩. ⟨hal-00965908⟩

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