TY - CONF A1 - Bayerlein, Bernd T1 - Transforming Materials Science with Concepts for a Semantically Accessible Data Space N2 - The digital transformation in materials science enables more efficient and sustainable processes. Through technological adaptations and a commitment to the FAIR principles, materials and processes are holistically addressed across entire value chains. The Platform MaterialDigital (PMD) and related initiatives are developing innovative solutions to the challenges of digitalization. The focus is on the interoperable integration of heterogeneous materials and processes data in semantically accessible data spaces. An ontological framework, based on the PMD Core Ontology and application-specific ontologies, promotes semantic interoperability of cross-domain and multi-scale (meta)data. This framework can be extended through natural language processing in a script-supported manner, as demonstrated with the Microscopy Ontology. The presentation further highlights how freely available mechanical and microstructural datasets of various aging stages of an aluminum alloy can be semantically integrated and flexibly searched. Graph-based operations enable links between processing and microstructural properties to be established, facilitating enhanced correlation analysis and pattern recognition. T2 - TMS Specialty Congress 2025 CY - Anaheim, CA, USA DA - 15.06.2025 KW - FAIR Data KW - Semanitc Interoperability KW - Community KW - Reproducibility PY - 2025 AN - OPUS4-63474 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maaß, Robert T1 - Tracing structural dynamics in metallic glasses during cryogenic cycling N2 - Highly unrelaxed structural states of metallic glasses have often advantageous mechanical properties. Since metallic glasses continuously relax with time (age) or inherently are well relaxed after processing, methods to uniformly rejuvenate the material are needed. One approach that has received attention is the so-called cryogenic-cycling method, during which a metallic glass is repeatedly immersed into liquid nitrogen. In some cases, cryogenic cycling is truly efficient in increasing the stored excess enthalpy of metallic glasses, but it does not seem to be universally applicable to all alloys and structural states. The origins for these differences remain unclear due to our limited understanding of the underlying structural evolution. In order to shed more light onto the fundamental structural processes of cryogenic cycling, we pursue in-situ x-ray photon correlation spectroscopy (XPCS) to trace the atomic-scale structural dynamics of a Zr-based metallic glass in two different structural states (ribbon and bulk metallic glass). This method allows calculating the relaxation times as a function of time throughout the thermal cycling. It is found that the investigated glasses exhibit heterogeneous structural dynamics at 300 K, which changes to monotonic aging at 78 K. Cryogenic cycling homogenizes the relaxation time distribution for both structural states. This effect is much more pronounced in the ribbon, which is the only structural state that rejuvenates upon cycling. We furthermore reveal how fast atomic-scale dynamics is correlated with long-time average structural relaxation times irrespective of the state, and that the ribbon exhibits unexpected additional fast atomic-scale relaxation in comparison to the plate material. Overall, a picture emerges that points towards heterogeneities in fictive temperature as a requirement for cryogenic energy storage. T2 - MRS Fall 2020 - Invited Talk CY - Boston, MA, USA DA - 27.11.2020 KW - Relaxation metallic glasses PY - 2020 AN - OPUS4-59542 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schilling, Markus T1 - Towards Structured Data Spaces: Prototypical Application of Semantic Technologies as a Driver for Innovation in Materials Science N2 - In the pursuit of advancing development and digitalization within materials science, ensuring quality assurance, interoperability, and adherence to FAIR principles is significant. To address these aspects, semantic technologies are employed for storage, processing, and contextualization of data, offering machine-actionable and human-readable knowledge representations crucial for data management. This presentation showcases the prototypical application of generic approaches of knowledge representation in materials science. It includes the design and documentation of graph patterns that may be compiled into rule-based semantic shapes. The development and application of the PMD Core Ontology 3.0 (PMDco 3.0) tailored for materials science is highlighted. Its integration into daily lab life is demonstrated through its functional incorporation into electronic lab notebooks (ELN). Examples of material processing and standardized mechanical testing illustrate how knowledge graph operations enhance ELN capabilities, providing a generalizable unified approach for managing diverse experimental data from different sources with automation potentials. T2 - TMS Specialty Congress 2025 CY - Anaheim, CA, USA DA - 15.06.2025 KW - Semantic Data KW - Data Integration KW - Digitalization KW - Data Interoperability KW - Plattform MaterialDigital PY - 2025 AN - OPUS4-63401 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bayerlein, Bernd T1 - Towards interoperability: Digital representation of a material specific characterization method N2 - Certain metallic materials gain better mechanical properties through controlled heat treatments. In age-hardenable aluminum alloys, the strengthening mechanism is based on the controlled formation of nanometer sized precipitates, which hinder dislocation movement. Analysis of the microstructure and especially the precipitates by transmission electron microscopy allows identification of precipitate types and orientations. Dark-field imaging is often used to image the precipitates and quantify their relevant dimensions. The present work aims at the digital representation of this material-specific characterization method. Instead of a time-consuming, manual image analysis, a digital approach is demonstrated. The integration of an exemplary digital workflow for quantitative precipitation analysis into a data pipeline concept is presented. Here ontologies enable linking of contextual information to the resulting output data in a triplestore. Publishing digital workflow and ontologies ensures the reproducibility of the data. The semantic structure enables data sharing and reuse for other applications and purposes, demonstrating interoperability. T2 - TMS - 7th World Congress on Integrated Computational Materials Engineering (ICME) CY - Orlando, Florida, USA DA - 21.05.2023 KW - Ontology KW - Semantic Interoperability KW - Digtial Representation KW - Data Management KW - Reproducibility KW - FAIR PY - 2023 AN - OPUS4-57548 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bayerlein, Bernd T1 - Towards Interoperability: Digital Representation of a Material Specific Characterization Method N2 - Certain metallic materials gain better mechanical properties through controlled heat treatments. For example, in age-hardenable aluminum alloys, the strengthening mechanism is based on the controlled formation of nanometer sized precipitates, which represent obstacles to dislocation movement. Precise tuning of the material structure is critical for optimal mechanical behavior in the application. Therefore, analysis of the microstructure and especially the precipitates is essential to determine the ideal parameters for the interplay of material and heat treatment. Transmission electron microscopy (TEM) is utilized to identify precipitate types and orientations in a first step. Dark-field imaging (DF-TEM) is often used to image the precipitates and to quantify their relevant dimensions. The present work aims at the digital representation of this material-specific characterization method. Instead of a time-consuming, manual image analysis, an automatable, digital approach is demonstrated. Based on DF-TEM images of different precipitation states of a wrought aluminum alloy, a modularizable digital workflow for quantitative precipitation analysis is presented. The integration of this workflow into a data pipeline concept will also be discussed. Thus, by using ontologies, the raw image data, their respective contextual information, and the resulting output data from the quantitative precipitation analysis can be linked in a triplestore. Publishing the digital workflow and the ontologies will ensure the reproducibility of the data. In addition, the semantic structure enables data sharing and reuse for other applications and purposes, demonstrating interoperability. The presented work is part of two digitization initiatives, the Platform MaterialDigital (PMD, materialdigital.de) and Materials-open-Laboratory (Mat-o-Lab). T2 - MSE 2022 CY - Darmstadt, Germany DA - 27.09.2022 KW - Interoperability KW - Ontology KW - Precipitation Analysis PY - 2022 AN - OPUS4-55892 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schilling, Markus T1 - Towards digitalization of materials in PMD: An application ontology of the tensile test N2 - Due to the diversity of materials and the processes associated with their production and use, the complexity of the lifecycles of materials and the multitude of academic and industrial researchers participating in generation of data for material design impose a huge challenge. The topical goal of digitalizing materials and processes can only be adequately addressed by consolidating the efforts of all stakeholders in this field. There are many scattered activities, but there is a demand for an elimination of redundancies as well as an advance in acceptance and a common basis in the digitalization of materials. Furthermore, data analysis methods play an important role in both, the experimental and simulation-based digital description of materials, but they have been poorly structured so far. Therefore, the two joint projects Platform Material Digital (PMD, materialdigital.de) and Materials open Laboratory (Mat-o-Lab, matolab.de) aim to contribute to a standardized description of data processing methods in materials research. Besides stimulating the formation of a collaborative community in this respect, their main technical goals are the quality assurance of the processes and the output data, the acquisition and definition of their accuracy as well as the interoperability between applications. In this regard, data management in accordance with the FAIR (findability, accessibility, interoperability, reuseability) principles is addressed. There is a common agreement in the scientific community following current discussions that data is supposed to be conform to these principles. This includes storage, processing and querying of data in a preferably standardized form. To meet the challenge to contextualize material data in a way that is consistent with all stakeholders, all necessary information on the condition of the material including production and application-related changes have to be made available via a uniform, machine-readable description. For this purpose, ontologies are to be used since they allow for machine-understandable knowledge representations and conceptualizations that are needed for data management and the digitalization in the field of materials science. As first efforts in PMD and Mat-o-Lab, application ontologies are created to explicitly describe processes and test methods. Thereby, the well-known tensile test of metals at room temperature was described ontologically in accordance with the respective ISO standard 6892-1:2019-11. The efforts in creating this tensile test application ontology are shown in this presentation. Especially, the path of ontology development based on standards to be pursued is focused, which is in accordance with the generic recommendations for ontology development and which is supposed to be exemplary for the creation of other application ontologies. T2 - VirtMet: 1st International Workshop on Metrology for Virtual Measuring Instruments and Digital Twins CY - Online meeting DA - 21.09.2021 KW - Platform Material Digital (PMD) KW - Ontology KW - Tensile test KW - Standard KW - Ontology development PY - 2021 AN - OPUS4-53481 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rütters, R. T1 - Towards defining reasonable minimum composition thresholds – impacts of variable CO2 stream compositions on transport, injection and storage N2 - The collaborative project “Impacts of impurities in CO2 streams captured from different emitters in a regional cluster on transport, injection and storage (CLUSTER)” aimed to set up recommendations on how to define “reasonable minimum composition thresholds” that CO2 streams should meet when accessing CO2 transport pipeline networks. Within CLUSTER, we investigated potential impacts of CO2 streams with different and temporally variable compositions and mass flow rates along the whole CCS chain. Investigations included, amongst others, impacts on: Corrosion of pipeline steel, pipeline network design and related transport costs, alteration of well bore cements, pressure evelopment and rock integrity, geochemical reactions, and petrophysical and geomechanical rock properties. All investigations are based on a generic CCS chain scenario. In this scenario, CO2 streams are captured from a spatial cluster of eleven emitters and collected in a regional pipeline network. Emitters comprise seven fossil fuel-fired power plants equipped with different capture technologies, two cement plants, one refinery and one integrated iron and steel plant. In total, 19.78 Mio t CO2 (including impurities) are captured in the emitter cluster annually. The combined CO2 stream is transported in a trunk line with a length of 400 km (100 km of these offshore) and is injected into five generic storage structures. The storage reservoirs are saline aquifers of the Buntsandstein. The investigations revealed beneficial and deteriorating impacts of different impurities and combinations thereof. Overall, no fundamental technical obstacles for transporting, injecting and storing CO2 streams of the modelled variable compositions and mass flow rates were observed. Based on the results, the CLUSTER project team recommends not to define “minimum composition thresholds” for CO2 streams as strict threshold values for eachindividual impurity in the stream. Instead, CO2 stream compositions and variabilities for specific CCS projects should be constrained with regard to a set of parameters including i) the overall CO2 content, ii) maximum contents of relevant impurities or elements, iii) acceptable variability of CO2 stream composition, and iv)impurity combinations to be avoided. T2 - 15th International Conference on Greenhouse Gas Control Technologies, GHGT-15 CY - Online meeting DA - 15.03.2021 KW - Corrosion KW - Impurities KW - CO2 quality KW - Pipeline network KW - Whole-chain CCS scenario KW - Recommendations PY - 2021 AN - OPUS4-52419 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bresch, Harald T1 - Tour de table - BAM N2 - Kurzübersicht über die neuen Aktivitäten zu Nanomaterialien in 2021. T2 - Nano-Behördenklausur der Bundesoberbehörden 2021 CY - Online meeting DA - 17.11.2021 KW - Nano KW - Nanomaterial KW - Nanopartikel KW - Bundesoberbehörden PY - 2021 AN - OPUS4-53827 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bresch, Sophie T1 - Thin-film capability of commercial LTCC N2 - Low-temperature co-fired ceramics (LTCC) are used to fabricate multilayer circuits which are robust in harsh environments. Thick-film technology is well established for the metallization of circuit boards and microsystems. For specific sensor applications, the combination of LTCC and thin-film technology is advantageous to reach higher structure resolutions. Due to the high roughness of as-fired LTCC surfaces compared with silicon-wafers, the deposition of low-defect- films with narrowly specified properties is challenging. The deposited thin-films are structured either by lift-off or by etching. The latter is less error-prone and thus preferred in industry provided the selected materials allow it. There is spare literature about thin films on commercial LTCC comparing different material systems or sintering techniques. For developing thin-film sensors on multilayer circuits it is crucial to identify thin-film-compatible commercial LTCC material as well as the crucial surface properties. In this work we evaluate the thin-film capability of different LTCC compositions and surface qualities. To evaluate the influence of the material composition on the thin film capability, 200 nm Ni-thin films were deposited on three different constrained-sintered LTCC (CT708, CT800 and DP951) by electron beam physical vapour deposition. The effect of surface quality was assessed by thin-film deposition on free-sintered, pressure-assisted sintered, and polished DP951. The thin-films were structured by covering corresponding sections with a UV-curable photo resin and subsequent etching of the uncovered surface, leaving behind the desired structure. The etched Ni-thin films showed high difference in failure rate and sheet resistance regarding the used LTCC-material. DP951 had the lowest sheet resistance and no failure, whereas CT800 had a high sheet resistance and a failure rate of 40 %. These results are correlated with surface roughness of the LTCC, scanning electron micrographs of the deposited thin-films, and the chemical resistance of the LTCC against commonly used etching media. Contrary to the expectations, no correlation between roughness and thin-film capability was found. The LTCC with high failure rate showed a strong chemical attack by the used etching medium. Additionally, the adhesion of thin-films on DP951 is better than on CT708 and CT800. T2 - XVIII EcerS Conference & Exhibition CY - Lyon, France DA - 02.07.2023 KW - Glass-ceramics KW - Etching KW - Resistance PY - 2023 AN - OPUS4-58019 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bresch, Sophie T1 - Thermoelectric multilayer generators: development from oxide powder to demonstrator N2 - Thermoelectric generators can be used for energy harvesting by directly transforming a temperature gradient into a voltage. Multilayer generators based on ceramic multilayer technology are an interesting alternative to conventional π-type generators. They exhibit several advantages like high filling factor, possibility of texturing, co-firing of all materials in one single-step, and reduction of production costs due to the high possible degree of automation. But, co-firing of promising oxide thermoelectric materials, Ca3Co4O9 (p-type) and CaMnO3 (n-type), is very challenging due to the large difference in sintering temperature (300 K). In this work we show the material development of Ca3Co4O9, CaMnO3, and insulation for multilayer generators co-fired under uniaxial pressure at 900 °C. The materials are tailored regarding their sintering behavior, electrical performance and coefficients of thermal expansion. Tape-casting and pressure assisted sintering are applied to fabricate textured Ca3Co4O9. Compared to conventional sintering, pressure assisted sintering increases the strength by the factor 10 and the power factor by the factor of 20. The combination of sintering additives and uniaxial pressure is used to decrease the sintering temperature of CaMnO3 to 900 °C while maintaining acceptable thermoelectric properties. Different generator designs (unileg and pn-type) were fabricated and analyzed regarding microstructure and thermoelectric performance. A lower level of complexity is beneficial for co-firing and performance. The unileg demonstrators reach 80% of the simulated output power and the power output is highly reproducible between the different demonstrators (99%). T2 - Ceramics in Europe 2022 CY - Krakow, Poland DA - 10.07.2022 KW - Thermoelectrics KW - Multilayer technology KW - Co-firing KW - Texture PY - 2022 AN - OPUS4-55357 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -