TY - JOUR A1 - Valdestilhas, Andre A1 - Bayerlein, Bernd A1 - Moreno Torres, Benjami A1 - Zia, Ghezal Ahmad Jan A1 - Muth, Thilo T1 - The Intersection Between Semantic Web and Materials Science N2 - 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. KW - Linked open data KW - Materials science KW - Ontology KW - Semantic web PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-575506 DO - https://doi.org/10.1002/aisy.202300051 PB - Wiley-VCH GmbH CY - Weinheim AN - OPUS4-57550 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Moreno Torres, Benjami A1 - Völker, Christoph A1 - Firdous, Rafia T1 - Concreting a sustainable future: A dataset of alkali-activated concrete and its properties N2 - This data article introduces a dataset comprising 1630 alkali-activated concrete (AAC) mixes, compiled from 106 literature sources. The dataset underwent extensive curation to address feature redundancy, transcription errors, and duplicate data, yielding refined data ready for further data-driven science in the field of AAC, where this effort constitutes a novelty. The carbon footprint associated with each material used in the AAC mixes, as well as the corresponding CO2 footprint of every mix, were approximated using two published articles. Serving as a foundation for future expansions and rigorous data applications, this dataset enables the characterization of AAC properties through machine learning algorithms or as a benchmark for performance comparison among different formulations. In summary, the dataset provides a resource for researchers focusing on AAC and related materials and offers insights into the environmental benefits of substituting traditional Portland concrete with AAC. KW - Multidisciplinary KW - Data Set KW - Alkali Activated Concrete KW - Data driven design PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589974 DO - https://doi.org/10.1016/j.dib.2023.109525 SN - 2352-3409 VL - 50 SP - 1 EP - 9 PB - Elsevier B.V. AN - OPUS4-58997 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Völker, Christoph A1 - Moreno Torres, Benjami A1 - Zia, Ghezal Ahmad Jan A1 - Rug, Tehseen A1 - Firdous, Rafia A1 - Böhmer, Felix A1 - Stephan, Dietmar A1 - Kruschwitz, Sabine T1 - Presenting SLAMD – A Sequential Learning Based Software for the Inverse Design of Sustainable Cementitious Materials N2 - 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. KW - Sustainable concrete KW - Machine learning optimization KW - Inverse design techniques KW - Scientific software KW - Data-driven material design PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589993 DO - https://doi.org/10.17756/nwj.2023-s2-032 VL - 9 SP - 180 EP - 187 AN - OPUS4-58999 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Völker, Christoph A1 - Moreno Torres, Benjami A1 - Rug, Tehseen A1 - Firdous, Rafia A1 - Zia, Ghezal Ahmad Jan A1 - Lüders, Stefan A1 - Lisdero Scaffino, Horacio A1 - Höpler, Michael A1 - Böhmer, Felix A1 - Pfaff, Matthias A1 - Stephan, Dietmar A1 - Kruschwitz, Sabine T1 - Data driven design of alkali-activated concrete using sequential learning N2 - This paper presents a novel approach for developing sustainable building materials through Sequential Learning. Data sets with a total of 1367 formulations of different types of alkali-activated building materials, including fly ash and blast furnace slag-based concrete and their respective compressive strength and CO2-footprint, were compiled from the literature to develop and evaluate this approach. Utilizing this data, a comprehensive computational study was undertaken to evaluate the efficacy of the proposed material design methodologies, simulating laboratory conditions reflective of real-world scenarios. The results indicate a significant reduction in development time and lower research costs enabled through predictions with machine learning. This work challenges common practices in data-driven materials development for building materials. Our results show, training data required for data-driven design may be much less than commonly suggested. Further, it is more important to establish a practical design framework than to choose more accurate models. This approach can be immediately implemented into practical applications and can be translated into significant advances in sustainable building materials development. KW - Sustainable building materials KW - Sequential learning KW - Data-driven materials design KW - Alkali-activated building materials PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-584376 UR - https://www.sciencedirect.com/science/article/pii/S095965262302379X DO - https://doi.org/10.1016/j.jclepro.2023.138221 SN - 0959-6526 SN - 1879-1786 VL - 418 SP - 1 EP - 13 PB - Elsevier CY - Amsterdam AN - OPUS4-58437 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Völker, Christoph A1 - Moreno Torres, Benjami T1 - SLAMD-FIB-Case-Study N2 - 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. KW - Alkali activated concrete KW - Concrete PY - 2022 UR - https://github.com/BAMcvoelker/SLAMD-FIB-Case-Study#slamd-fib-case-study PB - GitHub CY - San Francisco, CA, USA AN - OPUS4-56637 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kruschwitz, Sabine A1 - Völker, Christoph A1 - Zia, Ghezal Ahmad Jan A1 - Moreno Torres, Benjami A1 - Hartmann, Timo T1 - Reincarnate: Shaping a sustainable future in construction through digital innovation N2 - We introduce the REINCARNATE project, funded by the European Union's Horizon Europe program, to boost circularity by merging digital innovations with practical applications and a focus on material reuse. The heart of REINCARNATE is the Circular Potential Information Model (CP-IM), a digital platform designed to assess and enhance the recyclability of construction materials, construction products, and buildings. The CP-IM integrates advanced technologies such as digital twins, AI, and robotics to revolutionize the handling of construction waste, turning it into valuable resources and cutting the environmental footprint of the sector. Among its features are digital tracing, material durability predictions, and CO2 reduction materials design. These are showcased in eleven European demonstration projects, highlighting the practical benefits of these technologies in reducing construction waste and CO2 emissions by up to 80% and 70% respectively. REINCARNATE aims to marry innovation with real-world application, providing the construction industry with strategies for sustainable and circular practices. T2 - Rilem Spring Convention CY - Milan, Italy DA - 10.04.2024 KW - Construction sustainability KW - European project KW - Recycled materials KW - Life cycle KW - Digital construction PY - 2024 AN - OPUS4-60625 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Zia, Ghezal Ahmad Jan A1 - Völker, Christoph A1 - Moreno Torres, Benjami A1 - Kruschwitz, Sabine T1 - An Adaptive Upscaling Approach for Assessing Materials’ Circularity Potential with Non-destructive Testing (NDT) N2 - 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. T2 - Rilem Spring Convention CY - Milano, Italy DA - 09.04.2024 KW - Adaptive Sampling KW - Random Sampling KW - Machine Learning KW - Non-Destructive Testing KW - Condition Assessment KW - Circular Economy PY - 2024 SN - 978-3-031-70277-8 DO - https://doi.org/10.1007/978-3-031-70277-8_38 SN - 2211-0844 VL - 55 SP - 330 EP - 338 PB - Springer Nature Switzerland CY - Switzerland AN - OPUS4-62458 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kruschwitz, Sabine A1 - Völker, Christoph A1 - Zia, Ghezal Ahmad Jan A1 - Moreno Torres, Benjami A1 - Hartmann, Timo ED - Ferrara, L. ED - Muciaccia, G. ED - di Summa, D. T1 - REINCARNATE: Shaping a Sustainable Future in Construction Through Digital Innovation N2 - We introduce the REINCARNATE project, funded by the European Union’s Horizon Europe program, to boost circularity by merging digital innovations with practical applications and a focus on material reuse. The heart of REINCARNATE is the Circular Potential Information Model (CP-IM), a digital platform designed to assess and enhance the recyclability of construction materials, construction products, and buildings. The CP-IM integrates advanced technologies such as digital twins, AI, and robotics to revolutionize the handling of construction waste, turning it into valuable resources and cutting the environmental footprint of the sector. Among its features are digital tracing, material durability predictions, and CO2 reduction materials design. These are showcased in eleven European demonstration projects, highlighting the practical benefits of these technologies in reducing construction waste and CO2 emissions by up to 80% and 70% respectively. REINCARNATE aims to marry innovation with real-world application, providing the construction industry with strategies for sustainable and circular practices. T2 - 4 RILEM Spring Convention and Conference on advanced construction materials and processes for a carbon neutral society 2024 CY - Milano, Italy DA - 07.04.2024 KW - Digital construction KW - Construction sustainability KW - European project KW - Llife cycle KW - Recycled materials PY - 2024 SN - 978-3-031-70280-8 SN - 978-3-03170281-5 SN - 978-3-031-70283-9 DO - https://doi.org/10.1007/978-3-031-70281-5_32 SN - 2211-0844 SN - 2211-0852 N1 - Serientitel: RILEM Bookseries – Series title: RILEM Bookseries VL - 56 IS - 2 SP - 283 EP - 291 PB - Springer CY - Cham AN - OPUS4-61661 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Zia, Ghezal Ahmad Jan A1 - Valdestilhas, Andre A1 - Moreno Torres, Benjami A1 - Kruschwitz, Sabine T1 - Leveraging large language models for automated knowledge graphs generation in non-destructive testing N2 - 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. T2 - SeMatS 2024 - The 1st International Workshop on Semantic Materials Science CY - Amsterdam, The Netherlands DA - 17.09.2024 KW - Materials science and engineering KW - Large language model KW - Linked open data KW - Data interoperability KW - RDF KW - Semantic web PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-624597 DO - https://doi.org/10.5281/zenodo.13834164 SN - 1613-0073 N1 - Serientitel: CEUR workshop proceedings – Series title: CEUR workshop proceedings VL - 3760 SP - 101 EP - 110 PB - RWTH Aachen CY - Aachen AN - OPUS4-62459 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Moreno Torres, Benjami A1 - Völker, Christoph A1 - Munsch, Sarah Mandy A1 - Hanke, T. A1 - Kruschwitz, Sabine ED - Tosti, F. T1 - An Ontology-Based Approach to Enable Data-Driven Research in the Field of NDT in Civil Engineering N2 - Although measurement data from the civil engineering sector are an important basis for scientific analyses in the field of non-destructive testing (NDT), there is still no uniform representation of these data. An analysis of data sets across different test objects or test types is therefore associated with a high manual effort. Ontologies and the semantic web are technologies already used in numerous intelligent systems such as material cyberinfrastructures or research databases. This contribution demonstrates the application of these technologies to the case of the 1H nuclear magnetic resonance relaxometry, which is commonly used to characterize water content and porosity distri-bution in solids. The methodology implemented for this purpose was developed specifically to be applied to materials science (MS) tests. The aim of this paper is to analyze such a methodology from the perspective of data interoperability using ontologies. Three benefits are expected from this ap-proach to the study of the implementation of interoperability in the NDT domain: First, expanding knowledge of how the intrinsic characteristics of the NDT domain determine the application of semantic technologies. Second, to determine which aspects of such an implementation can be improved and in what ways. Finally, the baselines of future research in the field of data integration for NDT are drawn. KW - Ontology Engineering KW - Interoperability KW - Data-integration KW - NMR relaxometry KW - materials informatics PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-529716 DO - https://doi.org/10.3390/rs13122426 SN - 2072-4292 N1 - Geburtsname von Munsch, Sarah Mandy: Nagel, S. M. - Birth name of Munsch, Sarah Mandy: Nagel, S. M. VL - 13 IS - 12 SP - 2426 PB - Multidisciplinary Digital Publishing Institute (MDPI) CY - Basel, Switzerland AN - OPUS4-52971 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Völker, Christoph A1 - Kruschwitz, Sabine A1 - Moreno Torres, Benjami A1 - Firdous, R. A1 - Zia, G. J. A. A1 - Stephan, D. T1 - Accelerating the search for alkali-activated cements with sequential learning N2 - 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. However, as numerous raw materials are involved in the manufacturing process here, the complexity of the materials increases by orders of magnitude. Finding a properly balanced binder formulation is like looking for a needle in a haystack. We have shown for the first time that artificial intelligence (AI)-based optimization of alkali-activated binder 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 binders 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. T2 - fib International Congress CY - Oslo, Norway DA - 12.06.2022 KW - Concrete KW - Materials Design KW - Sequential Learning KW - Machine Learning PY - 2022 SP - 1 EP - 9 AN - OPUS4-56634 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bayerlein, Bernd A1 - Hanke, T. A1 - Muth, Thilo A1 - Riedel, Jens A1 - Schilling, Markus A1 - Schweizer, C. A1 - Skrotzki, Birgit A1 - Todor, A. A1 - Moreno Torres, Benjami A1 - Unger, Jörg F. A1 - Völker, Christoph A1 - Olbricht, Jürgen T1 - A Perspective on Digital Knowledge Representation in Materials Science and Engineering N2 - The amount of data generated worldwide is constantly increasing. These data come from a wide variety of sources and systems, are processed differently, have a multitude of formats, and are stored in an untraceable and unstructured manner, predominantly in natural language in data silos. This problem can be equally applied to the heterogeneous research data from materials science and engineering. In this domain, ways and solutions are increasingly being generated to smartly link material data together with their contextual information in a uniform and well-structured manner on platforms, thus making them discoverable, retrievable, and reusable for research and industry. Ontologies play a key role in this context. They enable the sustainable representation of expert knowledge and the semantically structured filling of databases with computer-processable data triples. In this perspective article, we present the project initiative Materials-open-Laboratory (Mat-o-Lab) that aims to provide a collaborative environment for domain experts to digitize their research results and processes and make them fit for data-driven materials research and development. The overarching challenge is to generate connection points to further link data from other domains to harness the promised potential of big materials data and harvest new knowledge. KW - Data infrastructures KW - Digital representations KW - Digital workflows KW - Knowledge graphs KW - Materials informatics KW - Ontologies KW - Vocabulary providers PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-546729 DO - https://doi.org/10.1002/adem.202101176 SN - 1438-1656 SP - 1 EP - 14 PB - Wiley-VCH GmbH CY - Weinheim AN - OPUS4-54672 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -