TY - JOUR A1 - Schulz, T. A1 - Reimann, T. A1 - Bochmann, A. A1 - Vogel, A. A1 - Capraro, B. A1 - Mieller, Björn A1 - Teichert, S. A1 - Töpfer, J. T1 - Sintering behavior, microstructure and thermoelectric properties of calcium cobaltite thickfilms for transversal thermoelectric multilayer generators N2 - The sintering behavior and the thermoelectric performance of Ca3Co4O9 multilayer laminates were studied, and a multilayer thermoelectric generator was fabricated. Compacts and multilayer samples with anisotropic microstructure and residual porosity were obtained after conventional sintering at 920 °C, whereas dense and isotropic multilayer samples were prepared by firing at 1200 °C and reoxidation at 900 °C. A hot-pressed sample has a dense and anisotropic microstructure. Samples sintered at 920 °C exhibit low electrical conductivity due to the low density, whereas the Seebeck coefficient is not sensitive to preparation conditions. However, thermal conductivity of multilayers is very low, and, hence acceptable ZT values are obtained. A ransversal multilayer thermoelectric generator (TMLTEG) was fabricated by stacking layers of Ca3Co4O9 green tapes, AgPd conductor printing, and co-firing at 920 °C. The TMLTEG has a power output of 3 mW at ΔT =200 K in the temperature interval of 25 °C to 300 °C. KW - Thermoelectric oxide KW - Calcium cobaltite KW - Pressure-assisted sintering KW - Multilayer PY - 2018 DO - https://doi.org/10.1016/j.jeurceramsoc.2017.11.017 SN - 0955-2219 SN - 1873-619X VL - 38 IS - 4 SP - 1600 EP - 1607 PB - Elsevier Ltd. AN - OPUS4-43983 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mrkwitschka, Paul A1 - Mieller, Björn A1 - Rabe, Torsten A1 - Markötter, Henning T1 - Machine learning assisted characterization of a Low Temperature Co-fired Ceramic (LTCC) module measured by synchrotron computed tomography. N2 - The 5G technology promises real time data transmission for industrial processes, autonomous driving, virtual and augmented reality, E-health applications and many more. The Low Temperature Co-fired Ceramics (LTCC) technology is well suited for the manufacturing of microelectronic components for such applications. Still, improvement of the technology such as further miniaturization is required. This study focuses on the characterization of inner metallization of LTCC multilayer modules, especially on the vertical interconnect access (VIA). Critical considerations for this characterization are delamination, pore clustering in and at the edge of the VIA, deformation, and stacking offset. A LTCC multilayer consisting of a glassy crystalline matrix with silver based VIAs was investigated by synchrotron x-ray tomography (CT). The aim of this study is to propose a multitude of structural characteristic values to maximize the information gained from the available dataset. Data analysis has been done with the open source software ImageJ as well as several additional plugins. The high-resolution CT data was evaluated through 2D slices for accessibility reasons. The segmentation of all 2000 slices to assess the different regions e.g. pores, silver and glass ceramic was done by a supervised machine learning algorithm. A quantitative evaluation of shape, deformation, and porosity of the VIA with respect to its dimensions is presented and the suitability of the characterization approach is assessed. T2 - 54. Metallographie Tagung CY - Online meeting DA - 16.09.2020 KW - Machine Learning KW - LTCC KW - Synchrotron Tomography PY - 2020 AN - OPUS4-51299 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mieller, Björn A1 - Bresch, Sophie A1 - Marucha, P. A1 - Moos, R. A1 - Rabe, Torsten T1 - Sintering and interconnecting thermoelectric oxides for energy applications N2 - Today, more than 12% of the primary energy is lost in the form of waste heat. Thermoelectric generators (TEGs) can convert waste heat directly into electrical power by utilizing the Seebeck effect. The performance of such a generator is defined by a dimensionless figure of merit ZT of the thermoelectric pairs and the resistance R of the metallic contacts between these pairs. The figure of merit of thermoelectric oxides is considerably smaller compared to semiconductors. Still, thermoelectric oxides like calcium cobaltite (Ca3Co4O9) are attractive for applications at elevated temperatures in air. In contrast to the established π-type architecture of common TEGs, tape casting and multilayer technology may be applied for cost-effective manufacturing of oxide TEGs. Promising demonstrations of multilayer TEGs have been published in the last years. Still, the development of reliable and scalable manufacturing processes and proper material combinations is necessary. The aim of our project is to evaluate the feasibility of low temperature co-fired ceramics (LTCC) technology for a practical manufacturing of oxide multilayer TEGs of Ca3Co4O9 (p-type) and calcium manganate (CaMnO3, n-type). Ca3Co4O9 exhibits an undesired phase decomposition at 926 °C. Because of that, the application of sintering strategies and interconnect concepts well known from LTCC technology is a promising approach. We present results of pressure-assisted sintering of Ca3Co4O9 multilayer at 900 °C and axial pressures of up to 7.5 MPa. Ca3Co4O9 was produced by solid state reaction of CaCO3 and cobalt(II,III)oxide at 900 °C. Green tapes were prepared by a doctor-blade process, manually stacked and laminated by uniaxial thermocompression. Sintering was conducted in a LTCC sintering press between SiC setter plates. The thickness shrinkage was recorded by an in-situ technique. After sintering under 7.5 MPa, the microstructure of the single phase material shows a high density of 95 % and an advantageous alignment of the platelet grains. This results in good electrical conductivity and a comparatively high ZT of 0.018 at room temperature. However, the lowering of CaMnO3 sintering temperature from above 1200 °C to below 920 °C remains a challenge. To select a proper metal paste for interconnections of an oxide TEG, several pastes have been investigated regarding contact resistance of internal and external (soldered) connections in a preliminary study. Commercial pastes containing Ag, Au, Au/Pt, Ag/Pd, and Ag/Pd/Bi were manually applied and post-fired on sintered test bars of Ca3Co4O9 and CaMnO3 at 900 °C for 2 h. All tested pastes formed mechanically stable metallization after firing. For resistance measurement, 4-wire method and a custom-made probe head were used. The contacts on Ca3Co4O9 exhibit significantly (2-sample t-test, α = 5%) higher resistance compared to contacts on CaMnO3. Pure silver paste exhibits the lowest resistance for internal contacts on both materials, lower than 5 mΩ on CaMnO3. Ag/Pd/Bi paste resulted in conspicuously high variance of resistance. EDX analyses clarified an enrichment of Bi in the thermoelectric material near the interface and thereby the formation of an oxide layer with probably high electrical resistance. The thickness of that layer varies with the thickness of metallization. In conclusion, the use of Bi containing pastes is not advisable. Pure Ag paste shows the best results regarding resistance and solderability. T2 - CICMT 2018 CY - Aveiro, Portugal DA - 18.04.2018 KW - Thermoelectric oxide KW - Thermoelectric generator KW - Multilayer technology KW - Pressure-assisted sintering PY - 2018 AN - OPUS4-44740 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mieller, Björn T1 - Evaluation of a multi-purpose measurement cell for standardized volume resistivity measurements at high temperatures N2 - The ProboStat is a multi-purpose measurement cell suitable for various electrical and physical measurements under different atmospheres and at high temperatures. Disc and bar shaped samples are sandwiched between platinum electrodes at the top of the tubular cell. The gas tight assembly can be inserted into a furnace. Different gases can be flushed through the tube. For this study, a ProboStat was adapted to measure volume resistivity of ceramic insulators at high temperatures according to standards. The standardized measurement of volume resistivity of ceramic insulators requires the consideration of many specifications including sample diameter, thickness, electrode design, and the proportion of these characteristics. Measurements are ideally performed in a state of dielectric equilibrium. The time-related slope of resistivity of a specific sample follows a power function. Thus, care must be taken when choosing a charge time or defining the duration of a measurement. As fringing of the guarded electrode occurs under high voltage, the effective electrode area for evaluation of the results should be corrected with respect to sample thickness and electrode design. The demands of effective standards on sample geometry and electrode design are stricter for room temperature measurements than for high temperature measurements. To perform high temperature measurements on ceramic samples that also fulfill the demands on room temperature measurements, a ProboStat was equipped with a dedicated large sample setup for discs with diameters of up to 60 mm. The volume resistivity of different alumina samples was first measured at room temperature in a standard test fixture and then compared to results obtained with the ProboStat. All measurements were performed for at least 100 min using a 26 mm guarded electrode. High temperature measurements at 500 °C were performed using the same samples. Room temperature values obtained with the standard test fixture are in the order of 10^17 Ohm·cm. The quantitative effect of electrode area correction is presented. Practical issues related to the use of the multi-purpose cell are addressed. These include electrode material selection, application of electrodes, and compensation of leakage currents. High temperature results of volume resistivity of the different alumina samples are presented. The validity is discussed with respect to the suitability of the multi-purpose cell for such measurements. T2 - XVI Conference and Exhibition of the European Ceramic Society (ECerS 2019) CY - Torino, Italy DA - 16.06.2019 KW - ceramics KW - alumina KW - volume resistivity PY - 2019 AN - OPUS4-48270 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Miliūtė, Aistė A1 - Bustamante, Joana A1 - Mieller, Björn A1 - Stawski, Tomasz A1 - George, Janine A1 - Knoop, F. T1 - High-quality zirconium vanadate samples for negative thermal expansion (NTE) analysis N2 - Zirconium vanadate (ZrV2O7) is a well-known negative thermal expansion (NTE) material which exhibits significant isotropic contraction over a broad temperature range (~150°C < T < 800°C). The linear thermal expansion coefficient of ZrV2O7 is −7.1×10-6 K-. Therefore, it can be used to create composites with controllable expansion coefficients and prevent destruction by thermal shock. Material characterization, leading to application, requires pure, homogenous samples of high crystallinity via a reliable synthesis route. While there is a selection of described syntheses in the literature, it still needs to be addressed which synthesis route leads to truly pure and homogenous samples. Here, we study the influence of the synthesis methods (solid-state, sol-gel, solvothermal) and their parameters on the sample's purity, crystallinity, and homogeneity. The reproducibility of results and data obtained with scanning electron microscopy (SEM), X-ray diffraction (XRD), differential scanning calorimetry, and thermogravimetric analysis (DSC/TGA) were analyzed extensively. The sol-gel method proves superior to the solid-state method and produces higher-quality samples over varying parameters. Sample purity also plays an important role in NTE micro and macro-scale characterizations that explain the impact of porosity versus structural changes. Moreover, we implement ab-initio-based vibrational computations with partially treated anharmonicity (quasi-harmonic approximation, temperature-dependent effective harmonic potentials) in combination with experimental methods to follow and rationalize the negative thermal expansion in this material, including the influence of the local structure disorder, microstructure, and defects. Khosrovani et al. and Korthuis et al., in a series of diffraction experiments, attributed the thermal contraction of ZrV2O7 to the transverse thermal motion of oxygen atoms in V-O-V linkages. In addition to previous explanations, we hypothesize that local disorder develops in ZrV2O7 crystals during heating. We are working on the experimental ZrV2O7 development and discuss difficulties one might face in the process as well as high-quality sample significance in further investigation. The obtained samples are currently used in the ongoing research of structure analysis and the negative thermal expansion mechanism. T2 - 16th International conference on materials chemistry (MC16) CY - Dublin, Ireland DA - 03.07.2023 KW - NTE KW - Sol-gel KW - Solid-state KW - Ab-initio KW - TDEP PY - 2023 AN - OPUS4-58134 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pavasarytė, Lina A1 - Azevedo do Nascimento, Allana A1 - Cysne Barbosa, Ana Paula A1 - Trappe, Volker A1 - Melo, Daniel T1 - Effects of particle size and particle concentration of poly (ethylene-co-methacrylic acid) on properties of epoxy resin N2 - Self-healing polymers have been developed to improve durability and reduce costs associated with maintenance during service. The addition of thermoplastics to thermosets to produce mendable polymers appears as a promising selfhealing technique. In this study, poly (ethylene-co-methacrylic acid) (EMAA) was added to epoxy resin and the effects of EMAA addition on epoxy properties were evaluated. Specimens with two different contents of thermoplastic and particles sizes were manufactured. A two-level full factorial experimental design was used to evaluate the effect of particle size and particle content on properties of epoxy modified with addition of EMAA. Tensile tests and dynamic mechanical analysis (DMA) were used and the evaluated responses were tensile strength, modulus of elasticity, and glass transition temperature (Tg). X-ray computed tomography (XCT) was used to investigate particle size and concentration after manufacturing. It was found that the particle concentration has greater effects on stress–strain behavior of epoxy while Tg was not significantly affected by neither of the analyzed entrance variables. KW - Fracture KW - Self-healing KW - Epoxy KW - Thermoplastic PY - 2024 DO - https://doi.org/10.1002/app.55677 SN - 0021-8995 SP - 1 EP - 14 PB - Wiley online library AN - OPUS4-60205 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Reinsch, Stefan A1 - Waurischk, Tina A1 - Müller, Ralf A1 - Arendt, F. A1 - Sierka, M. A1 - Diegeler, A. T1 - A new robot-assisted compositional screening method N2 - The system Na2O.B2O3-SiO2 (NBS) is the basis of many industrial glass applications and therefore one of the most studied systems at all. Glass formation is possible over a wide compositional range, but the system also contains ranges of pronounced phase separation and crystallization tendency. Despite its importance, experimental data are limited to few compositional areas. The general understanding and modelling of glass formation, phase separation, and crystallization in this system would therefore be easier if small step melt series could be studied. The efficient melting of such glass series is now possible with the new robotic glass melting system at the Federal Institute for Materials Research and Testing (BAM, Division Glasses). Using three exemplary joins within this NBS system, the small step changes of glass transition temperature (Tg), crystallization behavior as well as glass density (Roh) was studied. Additionally, experimental Tg and Roh data were compared with their modeled counterparts using SciGlass and a newly developed DFT model, respectively. T2 - Annual meeting of the French Union for Science and Glass Technology (USTV) and the 96th Annual Meeting of the German Society of Glass Technology - USTV-DGG joint meeting. CY - Orléans, France DA - 22.05.2023 KW - Robot-assisted galss melting KW - Sodiumborosilicate glasses KW - Density KW - Glass transformation temperature KW - Property simulation PY - 2023 AN - OPUS4-58724 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Müller, Ralf A1 - Schottner, G. A1 - Wondraczek, L. A1 - Sierka, M. A1 - Deubener, J. A1 - Waurischk, Tina A1 - Reinsch, Stefan A1 - Contreras, A. A1 - Diegeler, A. A1 - Kilo, M. A1 - Pan, Z.-W. A1 - Arendt, F. A1 - Chen, Y.-F. A1 - Gogula, S. A1 - Bornhöft, H. T1 - GlasDigital: Data-driven workflow for accelerated glass development N2 - Glasses stand out by their wide and continuously tunable chemical composition and large variety of unique shaping techniques making them a key component of modern high technologies. Glass development, however, is still often too cost-, time- and energy-intensive. The use of robotic melting systems embedded in an ontology-based digital environment is intended to overcome these problems in future. As part of the German research initiative MaterialDigital, the joint project GlasDigital takes first steps in this direction. The project consortium involves the Fraunhofer ISC in Würzburg, the Friedrich Schiller University Jena (OSIM), the Clausthal University of Technology (INW), and the Federal Institute for Materials Research and Testing (BAM, Division Glasses) and aims to combine all main basic components required for accelerated data driven glass development. For this purpose, a robotic high throughput glass melting system is equipped with novel inline sensors for process monitoring, machine learning (ML)-based, adaptive algorithms for process monitoring and optimization, novel tools for high throughput glass analysis and ML-based algorithms for glass design, including software tools for data mining as well as property and process modelling. The talk gives an overview how all these tools are interconnected and illustrates their usability with some examples. T2 - USTV-DGG joint meeting CY - Orleans, France DA - 22.05.2023 KW - Glass KW - Ontology KW - Data Space KW - Workflow KW - Robotic melting PY - 2023 AN - OPUS4-60372 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bayerlein, Bernd A1 - Schilling, Markus A1 - Waitelonis, Jörg A1 - v. Hartrott, Phillip A1 - Hanke, Thomas A1 - Birkholz, Henk A1 - Lau, June A1 - Skrotzki, Birgit T1 - Adapting FAIR Practices in Materials Science: Digital Representation of Material-Specific Characterization Methods N2 - Age-hardenable aluminum alloys undergo precise heat treatments to yield nanometer-sized precipitates that increase their strength and durability by hindering the dislocation mobility. Tensile tests provide mechanical properties, while microstructure evaluation relies on transmission electron microscopy (TEM), specifically the use of dark-field TEM images for precise dimensional analysis of the precipitates. However, this manual process is time consuming, skill dependent, and prone to errors and reproducibility issues. Our primary goal is to digitally represent these processes while adhering to FAIR principles. Ontologies play a critical role in facilitating semantic annotation of (meta)data and form the basis for advanced data management. Publishing raw data, digital workflows, and ontologies ensures reproducibility. This work introduces innovative solutions to traditional bottlenecks and offers new perspectives on digitalization challenges in materials science. We support advanced data management by leveraging knowledge graphs and foster collaborative and open data ecosystems that potentially revolutionize materials research and discovery. T2 - TMS - Specialty Congress 2024 CY - Cleveland, Ohio, US DA - 16.06.2024 KW - FAIR KW - Research Data Management KW - Semantic Interoperability KW - Ontologies KW - Materials and Processes Data Reusability PY - 2024 AN - OPUS4-60375 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Portella, P. A1 - Müller, Ralf T1 - The contribution of the Platform MaterialDigital (PMD) in building up a Materials Data Space - Application to glass design and manufacturing N2 - Suitable material solutions are of key importance in designing and producing components for engineering systems – either for functional or structural applications. Materials data are generated, transferred, and introduced at each step along the complete life cycle of a component. A reliable materials data space is therefore crucial in the digital transformation of an industrial branch. A great challenge in establishing a materials data space lies in the complexity and diversity of materials science and engineering. It must be able to handle data from different knowledge areas over several magnitudes of length scale. The Platform MaterialDigital (PMD) is expected to network a large number of repositories of materials data, allowing the direct contact of different stakeholders as materials producers, testing labs, designers and end users. Following the FAIR principles, it will promote the semantic interoperability across the frontiers of materials classes. In the frame of a large joint initiative, PMD works intensively together with currently near 20 research consortia in promoting this exchange (www.material-digital.de). In this presentation we will describe the status of our Platform MaterialDigital. We will also present in more detail the activities of GlasDigital, one of the joint projects mentioned above dealing with the digitalization of glass design and manufacturing. (https://www.bam.de/Content/EN/Projects/GlasDigital/glasdigital.html) T2 - OntoCommons Workshop CY - Berlin, Germany DA - 04.04.2023 KW - Ontology KW - Materials Data Space KW - PMD KW - Glass PY - 2023 AN - OPUS4-60371 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kilo, M. A1 - Contreras, A. A1 - Diegeler, A. A1 - Niebergall, R. A1 - Müller, Ralf A1 - Waurischk, Tina A1 - Reinsch, Stefan T1 - New Approaches for the Preparation and Characterisation of New Glasses N2 - The new robot-assisted glass melting device at BAM is presented by the manufacturing team within the joint project GlasDigital together with an automatic thermo-optical measurement technique. T2 - USTV-DGG joint meeting CY - Orleans, France DA - 22.05.2023 KW - Glass KW - Robotic melting PY - 2023 AN - OPUS4-60374 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Müller, Ralf A1 - Diegeler, A. A1 - Schottner, G. A1 - Niebergall, R. A1 - Kilo, M. A1 - Arendt, F. A1 - Chen, Y.-F. A1 - Sierka, M. A1 - Limbach, R. A1 - Pan, Z. A1 - Wondraczek, L. A1 - Gogula, S. A1 - Bornhöft, H. A1 - Deubener, J. A1 - Waurischk, Tina A1 - Reinsch, Stefan T1 - GlassDigital: Digital Infrastructure for Data-Driven High-Throughput Glass Development N2 - Gläser zeichnen sich durch eine breite und kontinuierlich abstimmbare chemische Zusammensetzung sowie einzigartige Formgebungstechniken aus, was sie oft zur Schlüsselkomponente moderner Hochtechnologien macht. Die Glasentwicklung ist jedoch oft noch zu kosten-, zeit- und energieintensiv. Der Einsatz von robotergestützten Schmelzsystemen, eingebettet in eine Ontologie-basierte digitale Umgebung, soll diese Probleme in Zukunft überwinden. Im Rahmen der BMBF Forschungsinitiative MaterialDigital unternimmt das Verbundprojekt GlasDigital „Datengetriebener Workflow für die beschleunigte Entwicklung von Glas“ erste Schritte in diese Richtung. Das Projektkonsortium, an dem das Fraunhofer ISC in Würzburg, die Friedrich-Schiller-Universität Jena (OSIM), die Technische Universität Clausthal (INW) und die Bundesanstalt für Materialforschung und -prüfung (BAM, Fachgruppe Glas) beteiligt sind, will alle wesentlichen Basiskomponenten für eine beschleunigte datengetriebene Glasentwicklung zusammenführen. Zu diesem Zweck wird ein robotergestütztes Hochdurchsatz-Glasschmelzsystem mit neuartigen Inline-Sensoren zur Prozessüberwachung, auf maschinellem Lernen (ML) basierenden adaptiven Algorithmen zur Prozessüberwachung und -optimierung, neuartigen Werkzeugen für die Hochdurchsatz-Glasanalyse sowie ML-basierten Algorithmen zum Glasdesign, Data Mining sowie Eigenschafts- und Prozessmodellierung ausgestattet. Der Vortrag gibt einen Überblick darüber, wie all diese Komponenten miteinander verzahnt sind, und veranschaulicht ihre Nutzbarkeit anhand einiger Beispiele. T2 - HVG-Fortbildungskurs CY - Offenbach, Germany DA - 27.11.2023 KW - Glas KW - Ontology KW - Workflow KW - Simulation KW - Robotic melting PY - 2023 AN - OPUS4-60386 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Müller, Ralf A1 - Niebergall, R. A1 - Schottner, G. A1 - Wondraczek, L. A1 - Sierka, M. A1 - Deubener, J. A1 - Waurischk, Tina A1 - Reinsch, Stefan A1 - Contreras, A. A1 - Diegeler, A. A1 - Kilo, M. A1 - Puppe, F. A1 - Limbach, R. A1 - Pan, Z. A1 - Arendt, F. A1 - Chen, Y.-F. A1 - Gogula, S. A1 - Bornhöft, H. T1 - GlasDigital: Data-driven workflow for accelerated glass development N2 - lasses stand out by their wide and continuously tunable chemical composition and large variety of unique shaping techniques making them a key component of modern high technologies. Glass development, however, is still often too cost-, time- and energy-intensive. The use of robotic melting systems embedded in an ontology-based digital environment is intended to overcome these problems in future. As part of the German research initiative MaterialDigital, the joint project GlasDigital takes first steps in this direction. The project consortium involves the Fraunhofer ISC in Würzburg, the Friedrich Schiller University Jena (OSIM), the Clausthal University of Technology (INW), and the Federal Institute for Materials Research and Testing (BAM, Division Glasses) and aims to combine all main basic components required for accelerated data driven glass development. For this purpose, a robotic high throughput glass melting system is equipped with novel inline sensors for process monitoring, machine learning (ML)-based, adaptive algorithms for process monitoring and optimization, novel tools for high throughput glass analysis and ML-based algorithms for glass design, including software tools for data mining as well as property and process modelling. The talk gives an overview how all these tools are interconnected and illustrates their usability with some examples. T2 - HVG-DGG Fachausschuss I CY - Jena, Germany DA - 03.11.2023 KW - Glass KW - Robotic melting KW - Ontologie KW - Simulation KW - Workflow KW - Data Space PY - 2023 AN - OPUS4-60383 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bayerlein, Bernd A1 - Schilling, Markus A1 - Birkholz, Henk T1 - Digital Transformation in Materials Science: Insights From the Platform MaterialDigital (PMD) N2 - The digital era has led to a significant increase in innovation in scientific research across diverse fields and sectors. Evolution of data-driven methodologies lead to a number of paradigm shifts how data, information, and knowledge is produced, understood, and analyzed. High profile paradigm shifts in the field of materials science (MS) include exploitative usage of computational tools, machine learning algorithms, and high-performance computing, which unlock novel avenues for investigating materials. In these presentations, we highlight prototype solutions developed in the context of the Platform MaterialDigital (PMD) project that addresses digitalization challenges. As part of the Material Digital Initiative, the PMD supports the establishment of a virtual materials data space and a systematic handling of hierarchical processes and materials data using a developed ontological framework as high priority work items. In particular, the mid-level ontology PMDco and its augmentation through application-specific ontologies are illustrated. As part of the conclusion, a discussion encompasses the evolutionary path of the ontological framework, taking into account standardization efforts and the integration of modern AI methodologies such as natural language processing (NLP). Moreover, demonstrators illustrated in these presentations highlight: The integration and interconnection of tools, such as digital workflows and ontologies, Semantic integration of diverse data as proof of concept for semantic interoperability, Improved reproducibility in image processing and analysis, and Seamless data acquisition pipelines supported by an ontological framework. In this context, concepts regarding the application of modern research data management tools, such as electronic laboratory notebooks (ELN) and laboratory information management systems (LIMS), are presented and elaborated on. Furthermore, the growing relevance of a standardized adoption of such technologies in the future landscape of digital initiatives is addressed. This is supposed to provide an additional basis for discussion with respect to possible collaborations. T2 - NIST Seminar on Digital Transformation CY - Gaithersburg, MD, USA DA - 11.06.2024 KW - Digital Transformation KW - Research Data Management KW - Ontology KW - Reusability KW - FAIR PY - 2024 AN - OPUS4-60381 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bayerlein, Bernd A1 - Schilling, Markus A1 - Birkholz, Henk A1 - Jung, Matthias A1 - Waitelonis, Jörg A1 - Mädler, Lutz A1 - Sack, Harald T1 - PMD core ontology: Building Bridges at the Mid-Level – A Community Effort for Achieving Semantic Interoperability in Materials Science N2 - Knowledge representation in the materials science and engineering (MSE) domain is a vast and multi-faceted challenge: Overlap, ambiguity, and inconsistency in terminology are common. Invariant and variant knowledge are difficult to align cross-domain. Generic top-level semantic terminology often is too abstract, while MSE domain terminology often is too specific. This poster presents an approach to create and maintain a comprehensive and intuitive MSE-centric terminology by developing a mid-level ontology–the PMD core ontology (PMDco)–via MSE community-based curation procedures. The PMDco is designed in direct support of the FAIR principles to address immediate needs of the global experts community and their requirements. The illustrated findings show how the PMDco bridges semantic gaps between high-level, MSE-specific, and other science domain semantics, how the PMDco lowers development and integration thresholds, and how to fuel it from real-world data sources ranging from manually conducted experiments and simulations as well as continuously automated industrial applications. T2 - TMS - Specialty Congress 2024 CY - Cleveland, Ohio, US DA - 16.06.2024 KW - Interoperability KW - Semantic Interoperability KW - Digtial Representation KW - Knowledge graph and ontologies PY - 2024 AN - OPUS4-60378 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schilling, Markus A1 - Bayerlein, Bernd A1 - Bruns, S. A1 - Birkholz, H. A1 - von Hartrott, P. A1 - Waitelonis, J. A1 - Lau, J. W. A1 - Skrotzki, Birgit T1 - Transforming Materials Science with ontologies, ELN, and LIMS: Semantic Web Solutions for Digitalization and Data Excellence N2 - 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-understandable and human-readable knowledge representations needed for data management, retrieval, and (re)use. The project ‘platform MaterialDigital’ (PMD) is part of an initiative that aims to bring together and support interested parties from both industrial and academic sectors in a sustainable manner in solving digitalization tasks and implementing digital solutions. Therefore, the establishment of a virtual material data space and the systematization of the handling of hierarchical, process-dependent material data are focused. Core points to be dealt with are the development of agreements on data structures and interfaces implemented in distinct software tools and to offer users specific added values in their projects. Furthermore, the platform contributes to a standardized description of data processing methods in materials research. In this respect, selected MSE methods are ontologically represented which are supposed to serve as best practice examples with respect to knowledge representation and the creation of knowledge graphs used for material data. Accordingly, this presentation shows the efforts taken within the PMD project to store data in accordance with a testing standard compliant ontological representation of a tensile test of metals at room temperature (ISO 6892-1:2019-11). This includes the path from developing an ontology in accordance with the respective standard up to connecting the ontology and data. The semantic connection of the ontology and data leads to interoperability and an enhanced ability of querying. For further enhanced reusability of data and knowledge from synthesis, production, and characterization of materials, the PMD core ontology (PMDco) was developed as mid-level ontology in the field of MSE. The semantic connection of the tensile test ontology (TTO) to the PMDco leads to enhanced expressivity and interoperability. Moreover, as a best practice example, generation and acquisition of test data semantically connected to the ontology (data mapping) was realized by applying an electronic laboratory notebook (ELN). Corresponding tensile tests were performed by materials science students at university. This enabled a fully digitally integrated experimental procedure that can be transferred to other test series and experiments. In addition to facilitating the acquisition, analysis, processing, and (re)usability of data, this also raises the awareness of students with respect to data structuring and semantic technologies in the sense of education and training. The entire data pipeline is further seamlessly integrable in a laboratory information management system (LIMS). More specifically, the integration of semantic conceptualization and knowledge graphs may become essential parts in LIMS as this would be very beneficial. Therefore, some first approaches of SWT integration in LIMS will also be presented briefly. T2 - TMS Specialty Congress 2024 CY - Cleveland, OH, USA DA - 16.06.2024 KW - Semantic Data KW - Plattform Material Digital KW - Tensile Test Ontology KW - Electronic Lab Notebook KW - Material Life Cycle PY - 2024 AN - OPUS4-60394 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schilling, Markus A1 - Bayerlein, Bernd A1 - Birkholz, H. T1 - Digital Transformation in Materials Science: Insights from Platform MaterialDigital (PMD), Tensile Test Ontology (TTO), Electronic Lab Notebooks (ELN) N2 - The digital era has led to a significant increase in innovation in scientific research across diverse fields and sectors. Evolution of data-driven methodologies lead to a number of paradigm shifts how data, information, and knowledge is produced, understood, and analyzed. High profile paradigm shifts in the field of materials science (MS) include exploitative usage of computational tools, machine learning algorithms, and high-performance computing, which unlock novel avenues for investigating materials. In these presentations, we highlight prototype solutions developed in the context of the Platform MaterialDigital (PMD) project that addresses digitalization challenges. As part of the Material Digital Initiative, the PMD supports the establishment of a virtual materials data space and a systematic handling of hierarchical processes and materials data using a developed ontological framework as high priority work items. In particular, the mid-level ontology PMDco and its augmentation through application-specific ontologies are illustrated. As part of the conclusion, a discussion encompasses the evolutionary path of the ontological framework, taking into account standardization efforts and the integration of modern AI methodologies such as natural language processing (NLP). Moreover, demonstrators illustrated in these presentations highlight: The integration and interconnection of tools, such as digital workflows and ontologies, Semantic integration of diverse data as proof of concept for semantic interoperability, Improved reproducibility in image processing and analysis, and Seamless data acquisition pipelines supported by an ontological framework. In this context, concepts regarding the application of modern research data management tools, such as electronic laboratory notebooks (ELN) and laboratory information management systems (LIMS), are presented and elaborated on. Furthermore, the growing relevance of a standardized adoption of such technologies in the future landscape of digital initiatives is addressed. This is supposed to provide an additional basis for discussion with respect to possible collaborations. T2 - NIST Seminar Series CY - Gaithersburg, MD, USA DA - 11.06.2024 KW - Semantic Data KW - Plattform Material Digital KW - Digitalization KW - Data Interoperability KW - NIST KW - Tensile Test Ontology KW - Elctronic Lab Notebook PY - 2024 AN - OPUS4-60392 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - INPR A1 - Pauw, Brian Richard A1 - Smales, Glen Jacob A1 - Anker, A. S. A1 - Balazs, D. M. A1 - Beyer, F. L. A1 - Bienert, Ralf A1 - Bouwman, W. G. A1 - Breßler, Ingo A1 - Breternitz, J. A1 - Brok, E. S. A1 - Bryant, G. A1 - Clulow, A. J. A1 - Crater, E. R. A1 - De Geuser, F. A1 - Giudice, A. D. A1 - Deumer, J. A1 - Disch, S. A1 - Dutt, S. A1 - Frank, K. A1 - Fratini, E. A1 - Gilbert, E. P. A1 - Hahn, Marc Benjamin A1 - Hallett, J. A1 - Hohenschutz, Max A1 - Hollamby, M. J. A1 - Huband, S. A1 - Ilavsky, J. A1 - Jochum, J. K. A1 - Juelsholt, M. A1 - Mansel, B. W. A1 - Penttilä, P. A1 - Pittkowski, R. K. A1 - Portale, G. A1 - Pozzo, L. D. A1 - Ricardo de Abreu Furtado Garcia, P. A1 - Rochels, L. A1 - Rosalie, Julian M. A1 - Saloga, P. E. J. A1 - Seibt, S. A1 - Smith, A. J. A1 - Smith, G. N. A1 - Annadurai, V. A1 - Spiering, G. A. A1 - Stawski, Tomasz A1 - Taché, O. A1 - Thünemann, Andreas A1 - Toth, K. A1 - Whitten, A. E. A1 - Wuttke, J. T1 - The human factor - Results of a small-angle scattering data analysis round robin N2 - A Round Robin study has been carried out to estimate the impact of the human element in small-angle scattering data analysis. Four corrected datasets were provided to participants ready for analysis. All datasets were measured on samples containing spherical scatterers, with two datasets in dilute dispersions, and two from powders. Most of the 46 participants correctly identified the number of populations in the dilute dispersions, with half of the population mean entries within 1.5 % and half of the population width entries within 40 %, respectively. Due to the added complexity of the structure factor, much fewer people submitted answers on the powder datasets. For those that did, half of the entries for the means and widths were within 44 % and 86 % respectively. This Round Robin experiment highlights several causes for the discrepancies, for which solutions are proposed. KW - Round robin KW - Sall-angle scattering KW - Nanostructure quantification KW - Nanostructure KW - SAXS KW - MOUSE KW - X-ray scattering KW - Size distribution KW - Nanoparticles PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-571342 DO - https://doi.org/10.48550/arXiv.2303.03772 SP - 1 EP - 23 PB - Cornell University CY - Ithaca, NY AN - OPUS4-57134 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pauw, Brian Richard A1 - Smales, Glen Jacob A1 - Anker, A. S. A1 - Annadurai, V. A1 - Balazs, D. M. A1 - Bienert, Ralf A1 - Bouwman, W. G. A1 - Breßler, Ingo A1 - Breternitz, J. A1 - Brok, E. S. A1 - Bryant, G. A1 - Clulow, A. J. A1 - Crater, E. R. A1 - De Geuser, F. A1 - Del Giudice, A. A1 - Deumer, J. A1 - Disch, S. A1 - Dutt, S. A1 - Frank, K. A1 - Fratini, E. A1 - Garcia, P. R. A. F. A1 - Gilbert, E. P. A1 - Hahn, Marc Benjamin A1 - Hallett, J. A1 - Hohenschutz, M. A1 - Hollamby, M. A1 - Huband, S. A1 - Ilavsky, J. A1 - Jochum, J. K. A1 - Juelsholt, M. A1 - Mansel, B. W. A1 - Penttilä, P. A1 - Pittkowski, R. K. A1 - Portale, G. A1 - Pozzo, L. D. A1 - Rochels, L. A1 - Rosalie, Julian M. A1 - Saloga, Patrick E. J. A1 - Seibt, S. A1 - Smith, A. J. A1 - Smith, G. N. A1 - Spiering, G. A. A1 - Stawski, Tomasz M. A1 - Taché, O. A1 - Thünemann, Andreas A1 - Toth, K. A1 - Whitten, A. E. A1 - Wuttke, J. T1 - The human factor - Results of a small-angle scattering data analysis round robin N2 - A round-robin study has been carried out to estimate the impact of the human element in small-angle scattering data analysis. Four corrected datasets were provided to participants ready for analysis. All datasets were measured on samples containing spherical scatterers, with two datasets in dilute dispersions and two from powders. Most of the 46 participants correctly identified the number of populations in the dilute dispersions, with half of the population mean entries within 1.5% and half of the population width entries within 40%. Due to the added complexity of the structure factor, far fewer people submitted answers on the powder datasets. For those that did, half of the entries for the means and widths were within 44 and 86%, respectively. This round-robin experiment highlights several causes for the discrepancies, for which solutions are proposed. KW - Round Robin KW - Data analysis KW - Small-angle scattering KW - Nanomaterials KW - Interlaboratory comparability KW - Nanostructure quantification KW - Methodology KW - MOUSE PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-587091 DO - https://doi.org/10.1107/S1600576723008324 SN - 1600-5767 VL - 56 IS - 6 SP - 1618 EP - 1629 PB - Wiley-Blackwell CY - Oxford AN - OPUS4-58709 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mieller, Björn A1 - Schulz, Bärbel A1 - Mrkwitschka, Paul A1 - Rabe, Torsten T1 - Influence of surface treatment on the strength of a dental zirconia for implants N2 - Roughening of zirconia dental implants is a common clinical practice to improve ingrowth behavior. It depends on the manufacturer of the implant at which stage of the manufacturing process and by which method the surface is roughened. Systematic studies on this topic are rarely found in the literature. Therefore, the influence of surface treatment on the strength of a dental zirconia was investigated as part of a research project on the development of ceramic implants. The material under test was a commercial zirconia consisting of a Y-TZP matrix and Ce-TZP inclusions in the sintered state. This material is characterized by a slightly higher fracture toughness and slightly reduced strength compared to typical 3Y-TZP. Sets of samples were sandblasted in the white-fired or sintered condition. The ball-on-three-ball-strength of these samples was measured and compared to the strength of as-fired samples and polished samples. The complete study was performed two times for validation of the results. It is found that the average strength of TZP ceramics differs by almost 500 MPa depending on the surface treatment. Conventionally sintered specimens with as-fired surface exhibit a strength of 880 MPa. Sandblasting in the white fired state reduces the strength to 690 MPa. Both polishing and sandblasting in the sintered condition result in an increase in strength to about 1180 MPa. Comparative microstructural investigations, roughness measurements and X-ray phase analyses were carried out to determine the causes of these huge differences in strength. These findings may challenge the practice of white body surface treatment and give reason for further investigations on other commercial dental TZP materials. T2 - 97th DKG Annual Meeting - CERAMICS 2022 CY - Online meeting DA - 07.03.2022 KW - Ceramics KW - Implants KW - Biaxial strength PY - 2022 AN - OPUS4-54453 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -