Stochastic geometrical modeling of solid oxide cells electrodes validated on 3D reconstructions

Hamza Moussaoui (1, 2, 3, 4) , Jérôme Laurencin (1, 2) , Yann Gavet (3, 4) , Gérard Delette (1, 2) , Maxime Hubert (1, 2) , Peter Cloetens (5) , Tristan Le Bihan (6, 7) , Johan Debayle (3, 4)

1 UGA [2016-2019] - Université Grenoble Alpes [2016-2019]
2 LITEN - Laboratoire d'Innovation pour les Technologies des Energies Nouvelles et les nanomatériaux
3 SPIN-ENSMSE - Centre Sciences des Processus Industriels et Naturels
4 LGF-ENSMSE - Laboratoire Georges Friedel
5 ESRF - European Synchrotron Radiation Facility
6 CEA Le Ripault - CEA Le Ripault
7 DAM - Direction des Applications Militaires

An original 3D stochastic model, based on the truncated plurigaussian random fields, has been adapted to simulate the complex microstructure of SOC electrodes. The representativeness of the virtual microstructures has been checked on several synchrotron X-ray and FIB-SEM tomographic reconstructions obtained on typical LSCF, LSC and Ni-YSZ electrodes. The validation step has been carried out by comparing numbers of electrode morphological properties as well as the phase effective diffusivities. This analysis has shown that the synthetic media mimic accurately the complex microstructure of typical SOC electrodes. The model capability to simulate different types of promising electrode architectures has also been investigated. It has been shown that the model is able to generate virtual electrode prepared by infiltration resulting in a uniform and continuous thin layer covering a scaffold. With a local thresholding depending on the position, continuous graded electrodes can be also produced. Finally, the model offers the possibility to introduce different correlation lengths for each phase in order to control the local topology of the interfaces. All these cases illustrate the model flexibility to generate various SOC microstructures. This validated and flexible model can be used for further numerical microstructural optimizations to improve the SOC performances.

Mots clés: Electrode design; 3D microstructure model; Solid oxide cell; X-ray tomography; Truncated plurigaussian random fields

Domaines: Génie des procédés; Vision par ordinateur et reconnaissance de formes [cs.CV]; Traitement du signal et de l'image [eess.SP]; Modélisation et simulation

Hamza Moussaoui, Jérôme Laurencin, Yann Gavet, Gérard Delette, Maxime Hubert, et al.. Stochastic geometrical modeling of solid oxide cells electrodes validated on 3D reconstructions. Computational Materials Science, 2018, 143, pp.262-276. ⟨10.1016/j.commatsci.2017.11.015⟩. ⟨hal-01655845⟩