TY - CONF A1 - Schilling, Markus A1 - Bayerlein, Bernd A1 - Birkholz, H. A1 - Hanke, T. A1 - Waitelonis, J. A1 - Sack, H. T1 - PMDco: Achieving High-Quality & Reliable FAIR Data 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. In this presentation, an approach how to maintain a comprehensive and intuitive MSE-centric terminology composing a mid-level ontology–the PMD core ontology (PMDco)–via MSE community-based curation procedures is shown. 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 - Kupfer-Symposium CY - Jena, Germany DA - 29.11.2023 KW - Ontology KW - Semantic Web Technologies KW - Plattform MaterialDigital KW - PMDco PY - 2023 AN - OPUS4-59031 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gomes Fernandes, Roger A1 - Al-Mukadam, Raschid A1 - Bornhöft, Hansjörg A1 - Reinsch, Stefan A1 - Müller, Ralf A1 - Selle, Susanne A1 - Deubener, Joachim T1 - Viscous Sintering of Acid Leached Glass Powders N2 - The process of viscous flow sintering is a phenomenon that is closely linked to the surface properties of the glass particles. In this work, we studied the extreme case of acid-leaching of soda-lime-silicate glass beads of two different particle size distributions and its effects on non-isothermal viscous sintering of powder compacts. Depth profiling of the chemical composition after leaching revealed a near-surface layer depleted in alkali and alkaline earth ions, associated with concurrent hydration as mass loss was detected by thermogravimetry. Heating microscopy showed that acid treatment of glasses shifted the sinter curves to higher temperatures with increasing leaching time. Modelling of the shrinkage with the cluster model predicted a higher viscosity of the altered surface layer, while analysis of the time scales of mass transport of mobile species (Na+, Ca2+ and H2O) during isochronous sintering revealed that diffusion of Na+ can compensate for concentration gradients before sintering begins. Also, exchanged water species can diffuse out of the altered layer, but the depletion of Ca2+ in the altered surface layer persists during the sinter interval, resulting in a glass with higher viscosity, which causes sintering to slow down. KW - Glass powder KW - Viscous sintering KW - Acid-leaching KW - Sinter retardation PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589008 DO - https://doi.org/10.52825/glass-europe.v1i.681 VL - 1 SP - 37 EP - 53 AN - OPUS4-58900 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - von Hartrott, Philipp A1 - Skrotzki, Birgit T1 - Room temperature and elevated temperature tensile test and elastic properties data of Al-alloy EN AW-2618A after different aging times and temperatures N2 - The dataset contains two types of data: elastic properties (Young's and shear modulus, Poisson's ratio) between room temperature and 250 °C and a set of tensile tests at different aging times, aging temperatures, and test temperatures. KW - Aluminium alloy KW - Young's modulus KW - Shear modulus KW - Aging KW - Tensile test KW - Strength PY - 2023 UR - https://doi.org/10.5281/zenodo.10377164 DO - https://doi.org/10.5281/zenodo.10377163 PB - Zenodo CY - Geneva AN - OPUS4-59161 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Schilling, Markus A1 - Bayerlein, Bernd A1 - Birkholz, H. A1 - Fliegener, S. A1 - Grundmann, J. A1 - Hanke, T. A1 - von Hartrott, P. A1 - Waitelonis, J. T1 - PMD Core Ontology (PMDco) N2 - The PMD Core Ontology (PMDco) is a comprehensive framework for representing knowledge that encompasses fundamental concepts from the domains of materials science and engineering (MSE). The PMDco has been designed as a mid-level ontology to establish a connection between specific MSE application ontologies and the domain neutral concepts found in established top-level ontologies. The primary goal of the PMDco is to promote interoperability between diverse domains. PMDco's class structure is both understandable and extensible, making it an efficient tool for organizing MSE knowledge. It serves as a semantic intermediate layer that unifies MSE knowledge representations, enabling data and metadata to be systematically integrated on key terms within the MSE domain. With PMDco, it is possible to seamlessly trace data generation. The design of PMDco is based on the W3C Provenance Ontology (PROV-O), which provides a standard framework for capturing the generation, derivation, and attribution of resources. By building on this foundation, PMDco facilitates the integration of data from various sources and the creation of complex workflows. In summary, PMDco is a valuable tool for researchers and practitioners in the MSE domains. It provides a common language for representing and sharing knowledge, allowing for efficient collaboration and promoting interoperability between diverse domains. Its design allows for the systematic integration of data and metadata, enabling seamless traceability of data generation. Overall, PMDco is a crucial step towards a unified and comprehensive understanding of the MSE domain. PMDco at GitHub: https://github.com/materialdigital/core-ontology KW - Ontology KW - Semantic Web technologies KW - Digitalization KW - Data Interoperability KW - PMD Core Ontology PY - 2023 UR - https://github.com/materialdigital/core-ontology/blob/f2bd420348b276583fad6fa0fb4225f17b893c78/pmd_core.ttl PB - GitHub CY - San Francisco, CA, USA AN - OPUS4-59352 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ginés-Palomares, J.-C. A1 - Fateri, M. A1 - Schubert, T. A1 - de Peindray d’Ambelle, L. A1 - Simon, Sebastian A1 - Gluth, Gregor A1 - Günster, Jens A1 - Zocca, Andrea T1 - Material aspects of sintering of EAC-1A lunar regolith simulant N2 - Future lunar exploration will be based on in-situ resource utilization (ISRU) techniques. The most abundant raw material on the Moon is lunar regolith, which, however, is very scarce on Earth, making the study of simulants a necessity. The objective of this study is to characterize and investigate the sintering behavior of EAC-1A lunar regolith simulant. The characterization of the simulant included the determination of the phase assemblage, characteristic temperatures determination and water content analysis. The results are discussed in the context of sintering experiments of EAC-1A simulant, which showed that the material can be sintered to a relative density close to 90%, but only within a very narrow range of temperatures (20–30 °C). Sintering experiments were performed for sieved and unsieved, as well as for dried and non-dried specimens of EAC-1A. In addition, an analysis of the densification and mechanical properties of the sintered specimens was done. The sintering experiments at different temperatures showed that the finest fraction of sieved simulant can reach a higher maximum sintering temperature, and consequently a higher densification and biaxial strength. The non-dried powder exhibited higher densification and biaxial strength after sintering compared to the dried specimen. This difference was explained with a higher green density of the non-dried powder during pressing, rather than due to an actual influence on the sintering mechanism. Nevertheless, drying the powder prior to sintering is important to avoid the overestimation of the strength of specimens to be fabricated on the Moon. KW - Lunar regolith KW - Ceramics KW - Microstructure KW - Sintering KW - Softening temperature PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-592668 DO - https://doi.org/10.1038/s41598-023-50391-y SN - 2045-2322 VL - 13 SP - 1 EP - 14 PB - Springer Nature AN - OPUS4-59266 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Suárez Ocaño, Patricia A1 - Manzoni, Anna Maria A1 - Lopez-Galilea, I. A1 - Ruttert, B. A1 - Laplanche, G. A1 - Agudo Jácome, Leonardo T1 - Influence of cooling rate on the microstructure and room temperature mechanical properties in the refractory AlMo0.5NbTa0.5TiZr superalloy N2 - Refractory chemically complex alloys with bcc-based microstructures show great potential for high-temperature applications but most of them exhibit limited room-temperature ductility, which remains a challenge. One such example is the AlMo0.5NbTa0.5TiZr alloy, mainly consisting of a nano-scaled structure with an ordered B2 matrix and a high-volume fraction of aligned cuboidal and coherently embedded A2 precipitates. This work aims to investigate how the cooling rate after hot isostatic pressing of the AlMo0.5NbTa0.5TiZr alloy affects its microstructure and its resulting hardness and fracture toughness at room temperature. A slow cooling rate of 5 °C/min leads to a coarse microstructure consisting of aligned slabs (mean A2 precipitate ≈ 25 nm) with a nanohardness of about 8 GPa. In contrast, after the fastest cooling rate (30 °C/min), the A2 precipitates become more cubic with an edge length of ≈ 16 nm, resulting in an increase in nanohardness by 10 %. The fracture toughness is roughly independent of the cooling rate and its mean value (≈ 4.2 MPa∙m1/2) resembles that of some B2 intermetallics and other A2/B2 alloys. As the lattice misfit between the A2 and B2 phases is known to play a key role in microstructure formation and evolution, its temperature dependence between 20 and 900 °C was investigated. These findings offer insights into the evolution of the microstructure and room-temperature mechanical properties of the AlMo0.5NbTa0.5TiZr alloy, which could help the development of advanced chemically complex alloys. KW - High entropy alloy KW - Lattice misfit KW - Scanning electron microscopy KW - Transmission electron microscopy KW - X-ray diffraction KW - Refractory alloy PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-572809 DO - https://doi.org/10.1016/j.jallcom.2023.169871 SN - 0925-8388 VL - 949 SP - 169871 PB - Elsevier B.V. AN - OPUS4-57280 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zare Pakzad, S. A1 - Nasr Esfahani, M. A1 - Tasdemir, Z. A1 - Wollschläger, Nicole A1 - Li, T. A1 - Li, X. A1 - Yilmaz, M. A1 - Leblebici, Y. A1 - Erdem Alaca, B. T1 - Nanomechanical Modeling of the Bending Response of Silicon Nanowires N2 - Understanding the mechanical behavior of silicon nanowires is essential for the implementation of advanced nanoscale devices. Although bending tests are predominantly used for this purpose, their findings should be properly interpreted through modeling. Various modeling approaches tend to ignore parts of the effective parameter set involved in the rather complex bending response. This oversimplification is the main reason behind the spread of the modulus of elasticity and strength data in the literature. Addressing this challenge, a surface-based nanomechanical model is introduced in this study. The proposed model considers two important factors that have so far remained neglected despite their significance: (i) intrinsic stresses composed of the initial residual stress and surface-induced residual stress and (ii) anisotropic implementation of surface stress and elasticity. The modeling study is consolidated with molecular dynamics-based study of the native oxide surface through reactive force fields and a series of nanoscale characterization work through in situ threepoint bending test and Raman spectroscopy. The treatment of the test data through a series of models with increasing complexity demonstrates a spread of 85 GPa for the modulus of elasticity and points to the origins of ambiguity regarding silicon nanowire properties, which are some of the most commonly employed nanoscale building blocks. A similar conclusion is reached for strength with variations of up to 3 GPa estimated by the aforementioned nanomechanical models. Precise consideration of the nanowire surface state is thus critical to comprehending the mechanical behavior of silicon nanowires accurately. Overall, this study highlights the need for a multiscale theoretical framework to fully understand the size-dependent mechanical behavior of silicon nanowires, with fortifying effects on the design and reliability assessment of future nanoelectromechanical systems. KW - Silicon nanowires KW - Native oxide KW - Surface stress KW - Surface elasticity KW - Mechanical behavior PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-581676 DO - https://doi.org/10.1021/acsanm.3c02077 SP - 1 EP - 14 PB - ACS Publications AN - OPUS4-58167 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lemiasheuski, Anton A1 - Bajer, Evgenia A1 - Oder, Gabriele A1 - Göbel, Artur A1 - Hesse, Rene A1 - Pfennig, A. A1 - Bettge, Dirk T1 - Entwicklung eines automatisierten 3D-Metallographie-Systems und erste Beispiele für die Anwendung in der Gefüge-Analyse T1 - Development of an automated 3D metallography system and some first application examples in microstructural analysis N2 - Die klassische Metallographie basiert auf Abbildungen einzelner Schliffebenen und kann auf räumliche Formen und Anordnungen des Gefüges nur bedingt schließen. Die Idee, aus metallographischen Serienschliffen dreidimensionale Gefügestrukturen zu rekonstruieren, ist daher naheliegend und nicht neu. Allerdings ist der Aufwand, in Handarbeit viele Einzel-Schliffe zu präparieren und zu Bildstapeln zusammenzusetzen, sehr hoch und steht einer häufigen Anwendung entgegen. Deshalb wird an der BAM ein Roboter-gestütztes 3D-Metallographie-System entwickelt, das an einer Schliffprobe die Schritte Präparation und Bildeinzug vollautomatisch mit vielen Wiederholungen ausführt. Die Präparation umfasst Schleifen, Polieren und optional Ätzen der Schlifffläche, der Bildeinzug autofokussierte lichtmikroskopische Aufnahmen bei mehreren Vergrößerungsstufen. Der erhaltene Bildstapel wird anschließend vorverarbeitet, segmentiert und in ein 3D-Modell umgesetzt, das einer mikrotomographischen Aufnahme ähnelt, allerdings mit besserer lateraler Auflösung bei großem Volumen. Im Gegensatz zu tomographischen Verfahren besteht die Möglichkeit der Kontrastierung durch klassische chemische Ätzung. Die Integration eines REMs ist geplant. Bislang durchgeführte Arbeiten verdeutlichen die Möglichkeiten der Darstellung von Heißgas-Korrosionsschichten, Grauguss-Werkstoffen und Keramik-basierten mikroelektronischen Strukturen (Vias). N2 - Traditional metallography relies on the imaging of individual section planes. However, conclusions as to spatial shapes and microstructural arrangements can only be drawn to a limited extent. The idea to reconstruct three-dimensional microstructures from metallographic serial sections is therefore obvious and not at all new. However, the manual process of preparing a great number of individual sections and assembling them into image stacks is time-consuming and laborious and therefore constitutes an obstacle to frequent use. This is why the Federal Institute for Materials Research and Testing, or BAM for short (Bundesanstalt für Materialforschung und -prüfung), is developing a robot-assisted 3D metallography system performing the tasks of preparation and image acquisition on a metallographic section fully automatically and repeatedly. Preparation includes grinding, polishing and optional etching of the section surface. Image acquisition is performed using a light optical microscope with autofocus at several magnification levels. The obtained image stack is then pre-processed, segmented and converted to a 3D model resembling a microtomographic image, but with a higher lateral resolution when large volumes are sampled. As opposed to tomographic techniques, it is possible to perform traditional chemical etching for contrasting. The integration of a SEM is in the planning stages. Studies conducted so far have demonstrated the possibility of visualizing hot gas corrosion layers, grey cast irons and ceramic-based microelectronic structures (vias). KW - 3D-Metallographie KW - Gefügeanalyse KW - Serienschnitte KW - Gefügerekonstruktion KW - 3D metallography KW - Microstructure analysis KW - Serial sectioning KW - Microstrucure reconstruction PY - 2023 DO - https://doi.org/10.1515/pm-2023-0057 SN - 0032-678X VL - 60 IS - 10 SP - 676 EP - 691 PB - De Gruyter CY - Berlin/Boston AN - OPUS4-58593 LA - mul AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nolze, Gert A1 - Tokarski, T. A1 - Rychlowski, L. T1 - Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 3. Pseudosymmetry N2 - A pseudosymmetric description of the crystal lattice derived from a single wideangle Kikuchi pattern can have several causes. The small size (<15%) of the sector covered by an electron backscatter diffraction pattern, the limited precision of the projection centre position and the Kikuchi band definition are crucial. Inherent pseudosymmetries of the crystal lattice and/or structure also pose a challenge in the analysis of Kikuchi patterns. To eliminate experimental errors as much as possible, simulated Kikuchi patterns of 350 phases have been analysed using the software CALM [Nolze et al. (2021). J. Appl. Cryst. 54, 1012–1022] in order to estimate the frequency of and reasons for pseudosymmetric crystal lattice descriptions. Misinterpretations occur in particular when the atomic scattering factors of non-equivalent positions are too similar and reciprocal-lattice points are systematically missing. As an example, a pseudosymmetry prediction depending on the elements involved is discussed for binary AB compounds with B1 and B2 structure types. However, since this is impossible for more complicated phases, this approach cannot be directly applied to compounds of arbitrary composition and structure. KW - Bravais lattices KW - Pseudosymmetry KW - Lattice point density KW - Ordered/disordered structures KW - Lattice distortion PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-573169 DO - https://doi.org/10.1107/s1600576723000845 SN - 0021-8898 VL - 56 IS - Pt. 2 SP - 367 EP - 380 AN - OPUS4-57316 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Cios, G. A1 - Winkelmann, A. A1 - Nolze, Gert A1 - Tokarski, T. A1 - Rychlowski, L. A1 - Dan, L. A1 - Bala, P. T1 - Mapping of lattice distortion in martensitic steel—Comparison of different evaluation methods of EBSD patterns N2 - To visualize the varying tetragonal distortions in high carbon martensitic steels by EBSD, two different approaches have been applied on backscattered Kikuchi diffraction (BKD) patterns. A band-edge refinement technique called Refined Accuracy (RA) (Oxford Instruments) is compared with a technique called Pattern Matching (PM), which optimizes the fit to a simulated BKD signal. RA distinguishes between hypothetical phases of different fixed 𝑐∕𝑎, while PM determines a best fitting continuous 𝑐∕𝑎 by projective transformation of a master pattern. Both techniques require stored BKD patterns. The sensitivity of the 𝑐∕𝑎-determination was tested by investigating the microstructure of a ferritic steel with an expected 𝑐∕𝑎 = 1. The influence of the Kikuchi pattern noise on 𝑐∕𝑎 was compared for a single or 40 averaged frames per measuring point, and turned out to be not significant. The application of RA and PM on the martensitic microstructure delivered qualitatively similar maps of 𝑐∕𝑎. The comparison of RA and PM shows that RA is suitably fast and precise during mapping the martensite 𝑐∕𝑎 ratio in analyses of high carbon martensite, especially for fast initial surveys. As RA leads quantitatively to higher noise in 𝑐∕𝑎, the PM analysis can be used for higher precision results. KW - EBSD KW - Steel KW - Martensite KW - Tetragonality KW - Strain PY - 2023 DO - https://doi.org/10.1016/j.ultramic.2023.113824 VL - 253 SP - 1 EP - 11 AN - OPUS4-58158 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -