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Multiscale Modelling Workflows for Solid Oxide Cells: A MODA-Based Framework

Year: 2026

Type: article

Abstract: This document presents the application of the MODA (MOdelling DAta generalisation) framework to describe and organise the multiscale modelling activities developed within the KNOWSKITE-X project. MODA provides a structured way to document models, their inputs and outputs, and the relationships between different modelling scales.By applying this methodology, the modelling workflows become clearer and easier to communicate across different communities, including industrial stakeholders, software developers, and modelling experts.The document compiles the MODA workflows associated with the main modelling approaches used in the project, including density functional theory (DFT), kinetic modelling, continuum-scale simulations, and hybrid machine-learning–DFT approaches. It also highlights how these models are connected within a multiscale modelling strategy.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.19436884

Authors: Idener (Spain), The Centre National de la Recherche Scientifique (National Centre for Scientific Research), KNOW CENTER, University Of Padova

Language: English

Topic: Advancements in Solid Oxide Fuel Cells

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W7150925134

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