Ontology Modelling for Materials Science Experiments

Mehwish Alam, Henk Birkholz, Danilo Dessi', Christoph Eberl, Heike Fliegl, Peter Gumbsch, Philipp von Hartrott, Lutz Mädler, Markus Niebel, Harald Sack, Akhil Thomas

Keywords: Materials Science, Ontology Design, Data Curation

Abstract: Materials are either enabler or bottleneck for the vast majority of technological innovations. The digitization of materials and processes is mandatory to create live production environments which represent physical entities and their aggregations and thus allow to represent, share, and understand materials changes. However, a common standard formalization for materials knowledge in the form of taxonomies, ontologies, or knowledge graphs has not been achieved yet. This paper sketches major efforts in modelling an ontology to describe materials science experiments. It describes what is expected from the ontology by introducing a use case where a process chain driven by the ontology enables the curation and understanding of experiments.