Stochastic 3D modeling of complex three-phase microstructures in SOFC-electrodes with completely connected phases

Neumann, Matthias; Staněk, Jakub; Pecho, Omar M.; Holzer, Lorenz; Beneš, Viktor; Schmidt, Volker

doi:10.1016/j.commatsci.2016.03.013

Publication type:	Article in scientific journal
Type of review:	Peer review (publication)
Title:	Stochastic 3D modeling of complex three-phase microstructures in SOFC-electrodes with completely connected phases
Authors:	Neumann, Matthias Staněk, Jakub Pecho, Omar M. Holzer, Lorenz Beneš, Viktor Schmidt, Volker
DOI:	10.1016/j.commatsci.2016.03.013
Published in:	Computational Materials Science
Volume(Issue):	118
Page(s):	353
Pages to:	364
Issue Date:	1-Jun-2016
Publisher / Ed. Institution:	Elsevier
ISSN:	0927-0256
Language:	English
Subjects:	Map
Subject (DDC):	620.11: Engineering materials 621.3: Electrical, communications, control engineering
Abstract:	A parametric stochastic 3D model for the description of complex three-phase microstructures is developed. Such materials occur for example in anodes of solid oxide fuel cells (SOFC) which consist of pores, nickel (Ni) and yttria-stabilized zirconia (YSZ). The model is constructed using tools from stochastic geometry. More precisely, we model the backbones of the three phases by a certain class of random geometric graphs called beta-skeletons. This allows us to reproduce complete connectivity of all three phases as observed in experimental image data of a pristine Ni-YSZ anode as well as the prediction of volume fractions by model parameters. Finally a slightly generalized version of this model enables a good fit to experimental image data with respect to transport relevant microstructure characteristics and the length of triple phase boundary. Model validation is performed by comparing effective transport properties from finite element (FE) simulations based on 3D-data from the stochastic model and from tomography of real Ni-YSZ anodes. Moreover, the virtual, but realistic Ni-YSZ microstructures can be used for investigating the quantitative influence of microstructure characteristics on various physical properties and consequently on the performance of the anode material.
URI:	https://digitalcollection.zhaw.ch/handle/11475/2209
Fulltext version:	Published version
License (according to publishing contract):	Licence according to publishing contract
Departement:	School of Engineering
Organisational Unit:	Institute of Computational Physics (ICP)
Appears in collections:	Publikationen School of Engineering

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Neumann, M., Staněk, J., Pecho, O. M., Holzer, L., Beneš, V., & Schmidt, V. (2016). Stochastic 3D modeling of complex three-phase microstructures in SOFC-electrodes with completely connected phases. Computational Materials Science, 118, 353–364. https://doi.org/10.1016/j.commatsci.2016.03.013

Neumann, M. et al. (2016) ‘Stochastic 3D modeling of complex three-phase microstructures in SOFC-electrodes with completely connected phases’, Computational Materials Science, 118, pp. 353–364. Available at: https://doi.org/10.1016/j.commatsci.2016.03.013.

M. Neumann, J. Staněk, O. M. Pecho, L. Holzer, V. Beneš, and V. Schmidt, “Stochastic 3D modeling of complex three-phase microstructures in SOFC-electrodes with completely connected phases,” Computational Materials Science, vol. 118, pp. 353–364, Jun. 2016, doi: 10.1016/j.commatsci.2016.03.013.

NEUMANN, Matthias, Jakub STANĚK, Omar M. PECHO, Lorenz HOLZER, Viktor BENEŠ und Volker SCHMIDT, 2016. Stochastic 3D modeling of complex three-phase microstructures in SOFC-electrodes with completely connected phases. Computational Materials Science. 1 Juni 2016. Bd. 118, S. 353–364. DOI 10.1016/j.commatsci.2016.03.013

Neumann, Matthias, Jakub Staněk, Omar M. Pecho, Lorenz Holzer, Viktor Beneš, and Volker Schmidt. 2016. “Stochastic 3D Modeling of Complex Three-Phase Microstructures in SOFC-Electrodes with Completely Connected Phases.” Computational Materials Science 118 (June): 353–64. https://doi.org/10.1016/j.commatsci.2016.03.013.

Neumann, Matthias, et al. “Stochastic 3D Modeling of Complex Three-Phase Microstructures in SOFC-Electrodes with Completely Connected Phases.” Computational Materials Science, vol. 118, June 2016, pp. 353–64, https://doi.org/10.1016/j.commatsci.2016.03.013.