journal article·2024-11-13Open access

A Monte Carlo Approach for Simulating Electrical Conductivity in Highly Porous Ceramic Composites: Impact of Internal Structure

Daniel Budáč, Vojtěch Miloš, Michal Carda, Martin Paidar, Karel Bouzek, Jürgen Fuhrmann

ACS Applied Materials & Interfaces· Volume 16· Issue 45

Abstract

Porous ceramic composites play an important role in several applications. This is due to their unique properties resulting from a combination of various materials. Determination of the composite properties and structure is crucial for their further development and optimization. However, composite analysis often requires complex, expensive, and time-demanding experimental work. Mathematical modeling represents an effective tool to substitute experimental approach. The present study employs a Monte Carlo 3D equivalent electronic circuit network model developed to analyze a highly porous composite on the basis of minimum easily obtainable input parameters. Solid oxide cell electrodes were used as a model example, and this study focuses primarily on materials with a porosity of 55% and higher, characterized by deviation of behavior from those of lower void fraction share. This task is approached by adding to the original Monte Carlo model an additional parameter defining the void phase coalescence phenomenon. The enhanced model accurately simulates electrical conductivity for experimental samples of up to 75% porosity. Using sample composition, single-phase properties, and experimentally determined conductivity, this model allows us to estimate data of the internal structure of the material. This approach offers a rapid and cost-effective method to study material microstructure, providing insights into properties, such as electrical conductivity and heat conductivity. The present research thus contributes to advancing predictive capabilities in understanding and optimizing the performance of composite materials with potential in various technological applications.
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Research context

OpenAlex topics: Concrete and Cement Materials Research · Recycling and utilization of industrial and municipal waste in materials production · Advanced ceramic materials synthesis

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Inorganic Technology, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technická 5, Prague 6 - Dejvice 166 28, Czech Republic

Mathematical Institute, Faculty of Mathematics and Physics, Charles University, Sokolovská 49/83, Prague 8 186 75, Czech Republic

Numerical Mathematics and Scientific Computing, Weierstrass Institute for Applied Analysis and Stochastics, Mohrenstraße 39, Berlin 10117, Germany

Funding

Ministerstvo ?kolstv?, Ml?de?e a Telov?chovy

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