Standardized microstructure characterization of SOC electrodes as a key element for Digital Materials Design

Abstract

Performance and durability of solid oxide cell (SOC) electrodes are closely linked to their microstructure properties. Thus, the comprehensive characterization of 3D microstructures e.g., obtained by FIB-SEM tomography is essential...

Stochastic microstructure modeling of SOC electrodes based on a pluri-Gaussian method

“…Digital microstructure twins are constructed for a set of real microstructures from LSTN-CGO electrodes. The latter have been reported in a previous publication (Marmet et al 13 ). The stochastic model makes use of a pluri-Gaussian method (PGM).…”

“…For all three structures, the phase volume fractions are identical, but the pore morphology is different. The mean radius of the pore-phase r max,pore,cont (i.e., r 50 of the continuous pore size distribution see Mu ¨nch and Holzer 47 ) and the simulated gas permeability k sim (as described in Marmet et al 13 ) are reported in the captions. For both structures in (b) and (c), an increase in the size of SP2 also leads to an increase of the pore size and associated gas permeability.…”

“…The module of stochastic geometry modeling and associated realization of digital twins, which is the main topic of the present paper, is highlighted with a red frame. The other methodological modules of the DMD workflow are described in great detail in separate papers, such as the module including materials processing and cell fabrication (see Burnat et al 10,12 ), the modules for imaging and standardized microstructure characterization (Marmet et al 13 and Holzer et al 14 ), and the module for performance prediction with a multiphysics electrode model (Marmet et al 15 ). A detailed description of the entire DMD workflow, including all the different modules, is also given in the PhD thesis of Ph.…”

“…On this basis, design guidelines for the fabrication of improved electrode performance can be provided, which closes the loop of this iterative workflow. This DMD workflow is described in more detail in the ESI, † of a previous publication (Marmet et al 13 ), which is dealing with standardized and automated microstructure characterization. In the present publication, we will describe the construction of digital microstructure twins based on a pluri-Gaussian method and the virtual microstructure variation on that basis (Fig.…”

“…Thereby, composition and porosity are varied in a wide range. For all the virtual structures of the parameter study, the corresponding microstructure properties are determined using a standardized and automated procedure for microstructure characterization, which was presented in Marmet et al 13 This dataset of microstructure properties for the studied parameter space can be used as a basis for microstructure optimization, in order to fabricate SOFC anodes with improved performances. Thus, the predictions by such DMD methodologies need sufficient accuracy to provide a quantitative correct range.…”