In the materials design domain, much of the data from materials calculations is stored in different heterogeneous databases with different data and access models. Therefore, accessing and integrating data from different sources is challenging. As ontology-based access and integration alleviates these issues, in this paper we address data access and interoperability for computational materials databases by developing the Materials Design Ontology. This ontology is inspired by and guided by the OPTIMADE effort that aims to make materials databases interoperable and includes many of the data providers in computational materials science. In this paper, first, we describe the development and the content of the Materials Design Ontology. Then, we use a topic model-based approach to propose additional candidate concepts for the ontology. Finally, we show the use of the Materials Design Ontology by a proof-of-concept implementation of a data access and integration system for materials databases based on the ontology.

Circular Economy has the goal to reduce value loss and avoid waste by extending the life span of materials and products, including circulating materials or product parts before they become waste. Circular economy models (e.g., circular value networks) are typically complex and networked, involving different cross-industry domains. In the context of a circular value network, multiple actors, such as suppliers, manufacturers, recyclers, and product end-users, may be involved. In addition, there may be various flows of resources, energy, information and value throughout the network. This means that we face the challenge that the data and information from cross-industry domains in a circular economy model are not built on common ground, and as a result are difficult to understand and use for both humans and machines. Using ontologies to represent domain knowledge can enable actors and stakeholders from different industries in the circular economy to communicate using a common language. The knowledge domains involved include circular economy, sustainability, materials, products, manufacturing, and logistics. The objective of this paper is to investigate the landscape of current ontologies for these domains. This will enable us to in the future explore what existing knowledge can be adapted or used to develop ontologies for circular value networks.

Circular Economy (CE) aims to reduce value loss and avoid waste by extending the life of products,components, and materials. Circular value networks (CVN), i.e. networks of actors realising partsof the CE, are often complex and involving a multitude of actors, such as suppliers, manufacturers,recyclers, and end-users, from different industry sectors. In addition, the networks enable and managevarious flows of resources, energy, information and value. To set up and operate such networks, datasharing is essential, however, one of the main challenges is semantic interoperability, and as a resultdata are difficult to understand, integrate, and use. Ontologies support semantic interoperability, andcan represent domain knowledge and enable stakeholders to communicate. However, the knowledgedomains involved are many, including sustainability, materials, products, manufacturing, and logistics,where well-established ontologies already exist. In addition, these domains need to be connected torelevant industry sectors. In order to bridge these domains we propose a set of core ontology modules,allowing to express links between existing ontologies as well as filling gaps related to core CE concepts.

Due to importance of data FAIRness (Findable, Accessible, Interoperable, Reusable), ontologies as a means to make data FAIR have attracted more and more attention in different communities and are being used in semantically-enabled applications. However, to obtain good results while using ontologies in these applications, high quality ontologies are needed of which completeness is one of the important aspects. An ontology lacking information can lead to missing results. In this paper we present a tool, Phrase2Onto, that supports users in extending ontologies to make the ontologies more complete. It is particularly suited for ontology extension using a phrase-based topic model approach, but the tool can support any extension approach where a user needs to make decisions regarding the appropriateness of using phrases to define new concepts. We describe the functionality of the tool and a user study using Pizza Ontology. The user study showed  a good usability of the system and high task completion. Further, we report on a real application where we extend the Materials Design Ontology.