Open Access

The application and benefits of Semantic Web Technologies (SWT) for managing, sharing, and (re-)using of research data are demonstrated in implementations in the field of Materials Science and Engineering (MSE). However, a compilation and classification are needed to fully recognize the scattered published works with its unique added values. Here, the primary use of SWT at the interface with MSE is identified using specifically created categories. This overview highlights promising opportunities for the application of SWT to MSE, such as enhancing the quality of experimental processes, enriching data with contextual information in knowledge graphs, or using ontologies to perform specific queries on semantically structured data. While interdisciplinary work between the two fields is still in its early stages, a great need is identified to facilitate access for nonexperts and develop and provide user-friendly tools and workflows. The full potential of SWT can best be achieved in the long term by the broad acceptance and active participation of the MSE community. In perspective, these technological solutions will advance the field of MSE by making data FAIR. Data-driven approaches will benefit from these data structures and their connections to catalyze knowledge generation in MSE.

In recent decades, the number of components in concrete has grown, particularly in formulations aimed at reducing carbon footprints. Innovations include diverse binders, supplementary cementitious materials, activators, concrete admixtures, and recycled aggregates. These developments target not only the enhancement of material properties but also the mitigation of the ecological and economic impacts of concrete — the most extensively used material by humankind. However, these advancements also introduce a greater variability in the composition of raw materials. The material’s behavior is significantly influenced by its nanoscale properties, which can pose challenges in accurate characterization. Consequently, there’s an increasing need for experimental tuning of formulations. This is accompanied by a more inconsistent composition of raw materials, which makes an experimental tuning of formulations more and more necessary. However, the increased complexity in composition presents a challenge in finding the ideal formulation through trial and error. Inverse design (ID) techniques offer a solution to this challenge by allowing for a comprehensive search of the entire design space to create new and improved concrete formulations. In this publication, we introduce the concept of ID and demonstrate how our open-source app “SLAMD” provides all necessary steps of the workflow to adapt it in the laboratory, lowering the application barriers. The intelligent screening process, guided by a predictive model, leads to a more efficient and effective data-driven material design process resulting in reduced carbon footprint and improved material quality while considering socio-economic factors in the materials design.

With 8% of man-made CO2 emissions, cement production is an important driver of the climate crisis. By using alkali-activated binders part of the energy-intensive clinker production process can be dispensed with. However, because numerous chemicals are involved in the manufacturing process here, the complexity of the materials increases by orders of magnitude. Finding a properly balanced cement formulation is like looking for a needle in a haystack. We have shown for the first time that artificial intelligence (AI)-based optimization of cement formulations can significantly accelerate research. The „Sequential Learning App for Materials Discovery“ (SLAMD) aims to accelerate practice transfer. With SLAMD, materials scientists have low-threshold access to AI through interactive and intuitive user interfaces. The value added by AI can be determined directly. For example, the CO2 emissions saved per ton of cement can be determined for each development cycle: the more efficient the AI optimization, the greater the savings. Our material database already includes more than 120,000 data points of alternative cements and is constantly being expanded with new parameters. We are currently driving the enrichment of the data with a life cycle analysis of the building materials. Based on a case study we show how intuitive access to AI can drive the adoption of techniques that make a real contribution to the development of resource-efficient and sustainable building materials of the future and make it easy to identify when classical experiments are more efficient.

Advancing towards a circular economy necessitates the efficient reuse and maintenance of structural materials, which relies on accurate, non-damaging condition assessments. This paper introduces an innovative AI-driven adaptive sampling (AS) technique integrated with Non-Destructive Testing (NDT) to optimize this process. AS focuses on critical data points, reducing the amount of data needed for precise assessments—evidenced by our method requiring on average only 7 samples for Logistic Regression and 8 for Random Forest, contrasted with 29 for traditional sampling. By reducing the necessity for extensive data collection, our method not only streamlines the assessment process but also significantly contributes to the sustainability goals of the circular economy. These goals include resource efficiency, waste reduction, and material reuse. Efficient condition assessments promote infrastructure longevity, reducing the need for new materials and the associated environmental impact. The circular economy aims to create a sustainable system where resources are reused, and waste is minimized. This is achieved by extending the lifecycle of materials, reducing the environmental footprint, and promoting recycling and reuse. Longevity directly contributes to the circular economy by maximizing the utility and lifespan of existing materials and structures. Longer-lasting infrastructure means fewer resources are needed for repairs or replacements, leading to reduced material consumption and waste generation. This aligns with the circular economy's principles of sustainability and resource efficiency. This research not only advances the field of structural health monitoring but also aligns with the broader objective of enhancing sustainable construction practices within the circular economy framework.

This paper presents an innovative approach for the automatic generation of Knowledge Graphs (KGs) from heterogeneous scientific articles in the domain of Non-Destructive Testing (NDT) applied to building materials. Our methodology leverages large language models (LLMs) to extract and semantically relate concepts from diverse sources. We developed material-specific agents for concrete, wood, steel, and bricks, each equipped with a curated glossary of terms to ensure domain accuracy. These agents process PDF documents, extracting relevant information on deterioration mechanisms, physical changes, and applicable NDT methods. The extracted data is then normalized, validated, and structured into a Neo4j graph database, forming a comprehensive KG. Our results demonstrate the system’s ability to automatically discover and represent intricate relationships between materials, deterioration mechanisms, physical changes, and NDT techniques. The generated KG successfully captures complex interactions, such as the applicability of specific NDT methods to various materials under different deterioration conditions. This work not only highlights the potential of KGs in enhancing knowledge discovery and representation in NDT research but also provides a scalable framework for extending this approach to other scientific domains.