Ontology-driven Workflow Management for Data-driven Protonic Ceramic Design

• Applicant: Dr.-Ing. Michael Selzer
• Subject Area: Computer-Aided Design of Materials and Simulation of Materials Behaviour from Atomic to Microscopic Scale ; Data Management, Data-Intensive Systems, Computer Science Methods in Business Informatics ; Materials in Sintering Processes and Generative Manufacturing Processes
• Term: since 2026
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 556363981

The core goals of this project include: a) Establishing a standardized ontology vocabulary to ensure clear communication and effective collaboration among all project stakeholders. b) Developing a comprehensive ontology based repository that captures the complexity of multi-scale modeling, multimodal characterization, sintering processes, simulations, and machine learning applications. c) Implementing an ontology-driven workflow system to automate and enhance the quality of grain, pore and grain boundary property feature extraction from characterization technologies such as SEM, TEM, and EDX. d) Applying ontological knowledge to machine learning pipelines, including feature selection, data labeling, and model training for predicting grain boundary properties process-microstructure and microstructure-property relations and the related inverse design. e) Promoting ontology literacy and usability through outreach, training, and evaluation of the ontology’s applicability beyond the immediate RU context.

• DFG Programme: Research Units
• Subproject of: FOR 5966: Synergistic Design of Proton Conducting Ceramics for Energy Technology (SynDiPET)