Ontology-based integrated materials modelling for an active protective coating system design is presented and applied to a practical example. For this purpose, an ontological methodology implemented using the ProMo (Process Modelling) suite is developed to be used with an open simulation platform (OSP), i.e., a workflow management and orchestration framework that can be integrated into digital in-frastructures. The target infrastructures, which are under development in various Horizon 2020 projects, include modelling marketplaces, open innovation platforms, and open translation environments among others. Semantic interoperability for the communication between the involved digital infrastructures, including the simulation hubs, relies on the Review of Materials Modelling (RoMM), MODA (Modelling Data), and the Ontology for Simulation, Modelling, and Optimization (OSMO) in combination with the Physicalistic Interpretation of Modelling and Simulation Interoperability Infrastructure (PIMS-II) mid-level ontology, which is aligned with the Elementary Multiperspective Material Ontology (EMMO) as a top-level ontology. The challenge of addressing semantic heterogeneity is addressed by working toward crosswalks between domain-specific and mid-level ontologies for industrially relevant problems, where knowledge graph transformation is evaluated as a candidate solution for a future implementation strategy. The involved semantic artefacts are platform-agnostic, and their EMMO compliance allows for a specification of executable modelling and simulation workflows on multiple EMMO-compliant OSPs. We demonstrate the presented approach on industrial relevant example for development of active corrosion protection of metallic surfaces.

The co-authors P.K., H.A.P., and N.K. acknowledge funding from the Horizon 2020 research and innovation programme of the EU by grant agreement no. 952903, VIPCOAT, and H.A.P. also acknowledges funding from Horizon 2020 by grant agreement no. 760173, MarketPlace. The co-author M.T.H. acknowledges funding by DFG project no. 441926934, NFDI4Cat, within the NFDI programme of the German Joint Science Conference (GWK). This work was facilitated by activities of Inprodat e.V., Kaiserslautern.