5 Werkstofftechnik
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In this work, the thermoelectric material calcium cobaltite Ca3Co4O9 (CCO), a promising p-type conducting thermoelectric oxide with anisotropic properties, was processed by the powder aerosol deposition method (PAD) to form a dense ceramic CCO film with a thickness in the µm range. The prepared films were characterized regarding their microstructure and thermoelectric properties between room temperature and 900 °C. After heat treatment at 900 °C, the CCO PAD film in-plane shows excellent properties in terms of electrical conductivity (280 S/cm at 900 °C) and Seebeck coefficient (220 µV/K at 900 °C). The calculated power factor in-plane (ab) reaches with 1125 µW/(m K2) 40 % of the single crystal value, surpassing the known-properties of CCO bulk ceramics. Examination of the microstructure shows a strong fiber texture of the film as well as a strong coarsening of the grains during the first heat treatment up to 900 °C.
Following the new paradigm of materials development, design and optimization, digitalization is the main goal in materials sciences (MS) which imposes a huge challenge. In this respect, the quality assurance of processes and output data as well as the interoperability between applications following FAIR (findability, accessibility, interoperability, reusability) principles are to be ensured. For storage, processing, and querying of data in contextualized form, Semantic Web Technologies (SWT) are used since they allow for machine-actionable and human-readable knowledge representations needed for data management, retrieval, and (re)use.
In this respect, the motivation for digital transformation in materials sciences stemming from the need to handle the ever-increasing volume and complexity of data will be elaborated on. By embracing digital tools and methodologies, researchers can enhance the efficiency, accuracy, and reproducibility of their work. The benefits of digital transformation in materials sciences are manifold, including improved data management, enhanced collaboration, and accelerated innovation. Being a core component of this transformation, ensuring data reliability and reproducibility is critical for the advancement of the field, enabling researchers to build on each other's work with confidence. Implementing FAIR data principles facilitates this by making data more accessible and usable across different platforms and studies. Furthermore, Semantic Web technologies (SWT) and ontologies play a crucial role in achieving these goals. Ontologies, typically consisting of the T-Box (terminological component) and A-Box (assertional component), provide a structured framework for representing knowledge. This presentation will outline the path of ontology creation and the formal transformation procedure, highlighting the various ontology levels that organize data into meaningful hierarchies.
Real-world use cases presented, such as the Tensile Test Ontology (TTO) and the Orowan Demonstrator, illustrate the practical applications of these technologies. These examples will demonstrate how ontologies can be leveraged to standardize data and facilitate interoperability between different systems and research groups. Finally, in this presentation, Ontopanel is introduced, a tool designed to aid in the creation and management of ontologies. Ontopanel simplifies the process of developing and maintaining ontologies, making it accessible to researchers and practitioners in the field. By integrating these technologies and principles, the materials science community can move towards a more digital, interconnected, and efficient future making the knowledge and education on these topics very valuable.