A Reference Language and Ontology for Materials Modelling and Interoperability
This paper was produced for the 2019 NAFEMS World Congress in Quebec Canada
Materials modelling is understood to include science based predictive methods describing any type of chemical and material at any level of granularity, i.e. electronic, atomistic, mesoscopic and continuum modelling. Methods in use today have their origins in a wide range of communities, such as computational chemistry, solid state physics, materials science, mechanical engineering etc. Application to industrial challenges typically requires integration of a range of these methods, which poses a significant interoperability challenge, not only computationally but also between experts from different communities.
The European Materials Modelling Council (EMMC) recognized the need to collate the wide range of contributions and better integrate different communities and methodologies. Interoperability of models, software and data is needed to facilitate an integrated approach to materials design and product improvement. Thus, the EMMC facilitated the elaboration of a CEN Workshop Agreement: Materials modelling – Terminology, classification and metadata to establish a reference terminology for materials modelling.
Furthermore, EMMC has been supporting the development of a general and widely applicable semantic basis for the representation of materials and their modelling: the European Materials Modelling Ontology (EMMO). The aim of EMMO is to be generic and to provide a common ground for describing materials, models and data that can be adapted by all domains.
EMMO is designed to pave the road for semantic (rather than purely syntactic) interoperability. It can be used as the foundation for implementation of standards and open interfaces connecting different codes and models based on their fundamental characteristics.