TY - JOUR A1 - Bonse, Jörn A1 - Sokolowski‐Tinten, Klaus T1 - Probing Laser‐Driven Structure Formation at Extreme Scales in Space and Time N2 - Irradiation of solid surfaces with high intensity, ultrashort laser pulses triggers a variety of secondary processes that can lead to the formation of transient and permanent structures over a large range of length scales from mm down to the nano‐range. One of the most prominent examples are LIPSS – Laser‐Induced Periodic Surface Structures. While LIPSS have been a scientific evergreen for of almost 60 years, experimental methods that combine ultrafast temporal with the required nm spatial resolution have become available only recently with the advent of short pulse, short wavelength free electron lasers. Here, the current status and future perspectives in this field are discussed by exploiting the unique possibilities of these 4th‐generation light sources to address by time‐domain experimental techniques the fundamental LIPSS‐question, namely why and how laser irradiation can initiate the transition of a “chaotic” (rough) surface from an aperiodic into a periodic structure. KW - Laser-induced periodic surface structures (LIPSS) KW - Free electron laser KW - Pump-probe experiments KW - Time-resolved scattering KW - Capillary waves PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-595048 DO - https://doi.org/10.1002/lpor.202300912 SN - 1863-8899 VL - 18 SP - 1 EP - 11 PB - Wiley-VCH GmbH CY - Weinheim AN - OPUS4-59504 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Keshmiri, Hamid A1 - Cikes, Domagoj A1 - Samalova, Marketa A1 - Schindler, Lukas A1 - Appel, Lisa-Marie A1 - Urbanek, Michal A1 - Yudushkin, Ivan A1 - Slade, Dea A1 - Weninger, Wolfgang J. A1 - Peaucelle, Alexis A1 - Penninger, Josef A1 - Elsayad, Kareem T1 - Brillouin light scattering anisotropy microscopy for imaging the viscoelastic anisotropy in living cells N2 - Maintaining and modulating mechanical anisotropy is essential for biological processes. However, how this is achieved at the microscopic scale in living soft matter is not always clear. Although Brillouin light scattering (BLS) spectroscopy can probe the mechanical properties of materials, spatiotemporal mapping of mechanical anisotropies in living matter with BLS microscopy has been complicated by the need for sequential measurements with tilted excitation and detection angles. Here we introduce Brillouin light scattering anisotropy microscopy (BLAM) for mapping high-frequency viscoelastic anisotropy inside living cells. BLAM employs a radial virtually imaged phased array that enables the collection of angle-resolved dispersion in a single shot, thus enabling us to probe phonon modes in living matter along different directions simultaneously. We demonstrate a precision of 10 MHz in the determination of the Brillouin frequency shift, at a spatial resolution of 2 µm. Following proof-of-principle experiments on muscle myofibres, we apply BLAM to the study of two fundamental biological processes. In plant cell walls, we observe a switch from anisotropic to isotropic wall properties that may lead to asymmetric growth. In mammalian cell nuclei, we uncover a spatiotemporally oscillating elastic anisotropy correlated to chromatin condensation. Our results highlight the role that high-frequency mechanics can play in the regulation of diverse fundamental processes in biological systems. We expect BLAM to find diverse applications in biomedical imaging and material characterization. KW - Optical and magnetic materials KW - Atomic and molecular physics and optics KW - Electronic PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-595125 DO - https://doi.org/10.1038/s41566-023-01368-w SN - 1749-4885 SN - 1749-4893 VL - 18 IS - 3 SP - 276 EP - 285 PB - Nature Publ. Group CY - London AN - OPUS4-59512 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hertwig, Andreas T1 - Characterisation of thin layers of Polydopamine used as functional coatings in X-Ray optics N2 - Polydopamine (PDA) is a biological / biomimetic polymer which has spiked considerable interest in recent years. Its monomer is an important neurotransmitter and it is one of the strongest glues produced by biological organisms. Polydopamine is a candidate for several applications, mainly in the field of biology and medicine, but also - recently - for layer coatings with optical, electrical, and mechanical function. In this work, we investigate PDA layers intended as reflectivity enhancers for mirror surfaces in X-ray astronomical observatories. It has previously been shown, that such X-ray telescopes can be improved by a coating of PDA in the thickness range of several nm. Accurate thickness determination is required to monitor and optimise the coating process. We use spectroscopic ellipsometry to determine first the dielectric function of the polydopamine layers using model coatings of sufficient thickness. This data is then used to accurately determine the layer thickness of much thinner PDA layers. This study resulted in data on the thickness and dielectric function of PDA layers that could lead to a better understanding of the correlation of layer thickness and layer properties depending on the process parameters. T2 - Deutsche Physikalische Gesellschaft - Frühjahrstagung CY - Berlin, Germany DA - 17.03.2024 KW - Ellipsometry KW - Polydopamine KW - Thin Polymer Layers KW - X-Ray Reflectometry KW - Biopolymers PY - 2024 AN - OPUS4-59760 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Singh, Amit Kumar A1 - Mishra, Biswajit A1 - Sinha, Om Prakash T1 - Reduction Kinetics of Fluxed Iron Ore Pellets Made of Coarse Iron Ore Particles N2 - The present work demonstrates a sustainable approach of using relatively coarser iron ore particles for ironmaking. The motivation is to reduce the energy consumption in the milling of the iron ore by utilizing coarser iron ore particles (+0.05 mm) and to select a suitable binder for improving pellet properties. Iron ore fines in the range of 0.05–0.25 mm was selected and classified into three size ranges. Fluxed iron ore pellets were prepared using lime as a binder for the basicity of 0, 1, and 2. Reduction of these pellets with a packed bed of coal fines was performed in the temperature range of 900–1200 °C for a duration of 30–120 min. The direct reduction kinetics of the iron ore pellets were studied by employing diffusion and chemical reaction control models to the experimental data. The results show that pellets made with coarser iron ore particles have improved reduction behavior and kinetics. The reduction reaction is found to be a mixed control. The activation energy for the reduction reaction varies from 44.3 to 74.76 kJ mol−1 as iron ore particle size decreases from 0.25 to 0.05 mm and basicity increases from 0 to 2. KW - Materials Chemistry KW - Metals and Alloys KW - Process Metallurgy KW - Iron making PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-598326 DO - https://doi.org/10.1002/srin.202300669 SN - 1611-3683 IS - 2300669 SP - 1 EP - 9 PB - Wiley VHC-Verlag AN - OPUS4-59832 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Seeber, Henrik T1 - Low level blast exposition – Hintergründe und aktuelle Entwicklungen N2 - Darstellung der Low Level Blast Thematik mit kurzer Einleitung, den internationalen Aktivitäten (hier SP) und einer Darstellung unseres Messsystems StEk. T2 - 25. Tagung Schutz gegen IED und ballistische Bedrohungen CY - Meppen, Germany DA - 09.04.2024 KW - Low Level Blast KW - Blast injury KW - Primäre Explosionswirkung KW - Druckwelle PY - 2024 AN - OPUS4-59868 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Seeber, Henrik T1 - Experimenteller Ansatz zur Untersuchung der primären Explosionswirkung N2 - Schwerpunkt die Darstellung des Versuchsaufbaus zur Erzeugung von Verdichtungsstößen zur Simulation der Primären Explosionswirkung auf Simulanzien T2 - Angewandte Forschung für Verteidigung und Sicherheit in Deutschland CY - Bonn, Germany DA - 19.03.2024 KW - Stoßwellengenerator KW - Blast injury KW - Primäre Explosionswirkung KW - Druckwelle KW - Versuchsaufbau PY - 2024 AN - OPUS4-59869 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hassenstein, Christian A1 - Heckel, Thomas A1 - Tomasson, Ingimar A1 - Vöhringer, Daniel A1 - Berendt, Torsten A1 - Wassermann, Jonas A1 - Prager, Jens T1 - Automated Wall Thickness Evaluation for Turbine Blades Using Robot-Guided Ultrasonic Array Imaging N2 - Nondestructive testing has become an essential part of the maintenance of modern gas turbine blades and vanes since it provides an increase in both safety against critical failure and efficiency of operation. Targeted repairs of the blade’s airfoil require localized wall thickness information. This information, however, is hard to obtain by nondestructive testing due to the complex shapes of surfaces, cavities, and material characteristics. To address this problem, we introduce an automated nondestructive testing system that scans the part using an immersed ultrasonic array probe guided by a robot arm. For imaging, we adopt a two-step, surface-adaptive Total Focusing Method (TFM) approach. For each test position, the TFM allows us to identify the outer surface, followed by calculating an adaptive image of the interior of the part, where the inner surface’s position and shape are obtained. To handle the large volumes of data, the surface features are automatically extracted from the TFM images using specialized image processing algorithms. Subsequently, the collection of 2D extracted surface data is merged and smoothed in 3D space to form the outer and inner surfaces, facilitating wall thickness evaluation. With this approach, representative zones on two gas turbine vanes were tested, and the reconstructed wall thickness values were evaluated via comparison with reference data from an optical scan. For the test zones on two turbine vanes, average errors ranging from 0.05 mm to 0.1 mm were identified, with a standard deviation of 0.06–0.16 mm. KW - Automation KW - Imaging KW - Sensors KW - Testing methodologies KW - Ultrasonics PY - 2024 DO - https://doi.org/10.1115/1.4064998 SN - 2572-3901 VL - 7 SP - 021005-1 EP - 021005-12 PB - The American Society of Mechanical Engineers (ASME) CY - New York, USA AN - OPUS4-59851 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Manoharan, Deepak A1 - Ranjan, Subham A1 - Emmerling, Franziska A1 - Bhattacharya, Biswajit A1 - Takamizawa, Satoshi A1 - Ghosh, Soumyajit T1 - Elasto-plastic behaviour with reversible thermosalient expansion in acrylonitrile-based organic crystals N2 - Crystalline materials that exhibit reversible mechanical responses upon exposure to external stimuli have garnered significant attention owing to their potential applications in various fields. Herein, we report a crystal of (2Z,2′Z)-2,2′-(1,4-phenylene)bis(3-(4-bromophenyl)acrylonitrile) (DSBr), which displays simultaneous elasto-plastic behaviour and reversible thermosalient effects. While elasto-plastic behaviour is attributed to underlying packing features, reversible thermosalient expansion is attributed to uniaxial expansion mediated by heat. Exceptional length increase and contraction upon cooling is due to the restorative nature of weak interactions through a cooperative effect. The cooperative movement of molecules is reflected in the unidirectional expansion of the habit plane. Thermosalient reversible expansion–contraction in elasto-plastic crystals have not been discussed in the literature so far. Detailed analysis reported herein provides a comprehensive understanding of the underlying mechanism of flexibility and thermosalient responses. This crystal's unique blend of reversible thermal expansion with flexibility holds substantial promise for applications in flexible thermal actuators. KW - Materials Chemistry KW - General Chemistry PY - 2024 DO - https://doi.org/10.1039/D3TC04272C SN - 2050-7526 SP - 1 EP - 11 PB - Royal Society of Chemistry (RSC) AN - OPUS4-59527 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Seeber, Henrik T1 - Experimenteller Ansatz zur Untersuchung der primären Explosionswirkung N2 - Explosionsverletzungen gehören zu den häufigsten Verletzungen bei militärischen Einsätzen. Während die Auswirkungen von Splittern, die als sekundäre Explosionsverletzungen eingestuft werden, durch die modernen ballistischen Körperschutzsysteme der Polizei und des Militärs minimiert werden konnten, stellen die Auswirkungen der Stoßwellenausbreitung im Körper als Teil des primären Explosionstraumas nach wie vor eine ernsthafte Bedrohung dar. Zusätzlich zu einzelnen einsatzbedingten Lastfällen liegt ein wissenschaftlicher Fokus auf besonders exponiertem Personal, z.B. aus den Einsatzbereichen „Taktische Zugangstechnik“, „Präzisionsschützenwesen“ oder Steilfeuerwaffen (Mörser). Repetitive mild traumatic brain injury (mTBI) können gesundheitliche Langzeitschädigungen wie und chronic traumatic encephalopathy (CTE) erzeugen. Um einen Beitrag zur Erforschung der primären Explosionswirkungen zu leisten, hat die Bundeswehr in Zusammenarbeit mit dem Bundeswehrkrankenhaus Berlin und der Bundesanstalt für Materialforschung und -prüfung (BAM) ein interdisziplinäres wehrmedizinisches Sonderforschungsvorhaben eingerichtet. Ziel der geplanten Untersuchung ist die Entwicklung einer multidisziplinären Methode zur Analyse des Stoßwellenverhaltens in verschiedenen generischen Gewebesimulanzien, sowie Schutzmaterialien unter möglichst realitätsnahen und reproduzierbaren Bedingungen. Für die Erzeugung reproduzierbarer Stoßwellen wurde ein Autoklav (Druckbehälter) entwickelt, mit dem durch die detonative Umsetzung eines Acetylen-Sauerstoff-Gemisches gut reproduzierbare Druckwellen unter Freifeldbedingungen erzeugt werden können. Vorteile dieser Methode sind unter anderem die kurzen Rüstzeiten zwischen Versuchsdurchgängen, die Minimierung störender Einflüsse im Vergleich zu Stoßwellenrohren und die geringeren Sicherheitsanforderungen im Vergleich zur Anwendung von konventionellen Sprengstoffen. Das generische Torso-Modell besteht in seiner einfachsten Form aus einem mit Druck- und Beschleunigungssensoren instrumentierten Gelatineblock, welcher eine Simulanz für organisches Gewebe darstellt. Zur Untersuchung des Stoßwellenverhaltens wurden verschiedene Medien, wie Hohlkörper, Festkörper und Gewebesimulanzien differenter Dichte in das generische Torso-Modell eingebracht. Einen besonderer Untersuchungsschwerpunkt bildeten die Grenzbereiche zwischen den unterschiedlichen Medien. Des Weiteren wurde analysiert, wie sich verschiedene Schutzmaterialien auf das Stoßwellenverhalten auswirken und mit welchen veränderten Eigenschaften die Stoßwelle anschließend in die Gewebesimulanz einkoppelt. T2 - Angewandte Forschung für Verteidigung und Sicherheit in Deutschland CY - Bonn, Germany DA - 19.03.2024 KW - Primäre Explosionswirkug KW - Blast injury KW - Pressure wave KW - Druckwelle PY - 2024 AN - OPUS4-59474 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zuffa, Caterina A1 - Cappuccino, Chiara A1 - Casali, Lucia A1 - Emmerling, Franziska A1 - Maini, Lucia T1 - Liquid reagents are not enough for liquid assisted grinding in the synthesis of [(AgBr)(n-pica)]n N2 - This study investigates the mechanochemical reactions between AgBr 3-picolylamine and 4-picolylamine. The use of different stoichiometry ratios of the reagents allows [(AgBr)(n-pica)]n and [(AgBr)2(n-pica)]n to be obtained, and we report the new structures of [(AgBr)2(3-pica)]n and [(AgBr)2(4-pica)]n which are characterized by the presence of the following: (a) infinite inorganic chains, (b) silver atom coordinated only by bromide atoms and (c) argentophilic interactions. Furthermore, we studied the interconversion of [(AgBr)(n-pica)]n/[(AgBr)2(n-pica)]n by mechanochemical and thermal properties. The in situ experiments suggest that [(AgBr)(3-pica)]n is kinetically favoured while [(AgBr)2(3-pica)]n is converted into [(AgBr)(3-pica)]n only with a high excess of the ligand. Finally, the liquid nature of the ligands is not sufficient to assist the grinding process, and the complete reaction is observed with the addition of a small quantity of acetonitrile. KW - Mechanochemistry KW - Complex PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594755 DO - https://doi.org/10.1039/d3cp04791a SN - 1463-9076 SP - 1 EP - 10 PB - Royal Society of Chemistry (RSC) AN - OPUS4-59475 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Andreoli, A. F. A1 - Fantin, Andrea A1 - Kasatikov, S. A1 - Bacurau, V. P. A1 - Widom, M. A1 - Gargarella, P. A1 - Mazzer, E. M. A1 - Woodcock, T. G. A1 - Nielsch, K. A1 - Coury, F. G. T1 - The impact of chemical short-range order on the thermophysical properties of medium- and high-entropy alloys N2 - The unusual behavior observed in the coefficient of thermal expansion and specific heat capacity of CrFeNi, CoCrNi, and CoCrFeNi medium/high-entropy alloys is commonly referred to as the K-state effect. It is shown to be independent of the Curie temperature, as demonstrated by temperature-dependent magnetic moment measurements. CoCrFeNi alloy is chosen for detailed characterization; potential reasons for the K-state effect such as texture, recrystallization, and second-phase precipitation are ruled out. An examination of the electronic structure indicates the formation of a pseudo-gap in the Density of States, which suggests a specific chemical interaction between Ni and Cr atoms upon alloying. Hybrid Monte Carlo/Molecular Dynamic (MC/MD) simulations indicate the presence of non-negligible chemical short-range order (CSRO). Local lattice distortions are shown to be negligible, although deviations around Cr and Ni elements from those expected in a fully disordered structure are experimentally observed by X-ray absorption spectroscopy. The determined bonding distances are in good agreement with MC/MD calculations. A mechanism is proposed to explain the anomalies and calorimetric experiments and their results are used to validate the mechanism. KW - Mechanical Engineering KW - Mechanics of Materials KW - General Materials Science PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-595869 DO - https://doi.org/10.1016/j.matdes.2024.112724 SN - 0264-1275 VL - 238 SP - 1 EP - 15 PB - Elsevier B.V. AN - OPUS4-59586 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schilling, Markus T1 - FAIR Data in Platform MaterialDigital (PMD) - Ontologies , Semantic Data Integration and Data Exchange N2 - Following the new paradigm of materials development, design, and optimization, digitalization is the main goal in materials sciences and engineering (MSE) 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 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-actionable and human-readable knowledge representations needed for data management, retrieval, and (re)use. The project ‘platform MaterialDigital’ (PMD, https://materialdigital.de) 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 support 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 semantically 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 towards the digitalization in MSE such as the development of the mid-level PMD core ontology (PMDco, https://github.com/materialdigital/core-ontology). Furthermore, selected results of a PMD partner project use case addressing data and knowledge management from synthesis, production, and characterization of materials are shown. T2 - 1st VMAP User Meeting 2024 CY - Sankt Augustin, Germany DA - 14.02.2024 KW - Ontology KW - Semantic Web Technologies KW - Plattform MaterialDigital KW - Data Interoperability KW - Data Exchange KW - Data Structures PY - 2024 AN - OPUS4-59567 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Casperson, Ralf A1 - Pohl, Rainer T1 - Wirbelstromprüfung am Schrein der Heiligen Drei Könige im Kölner Dom N2 - Die Wirbelstromprüfung ist ein bewährtes Verfahren zur zerstörungsfreien Prüfung elektrisch leitfähiger Objekte im oberflächennahen Bereich. Nach einer Einführung in die Wirkungsweise, Möglichkeiten und Grenzen des Wirbelstromprüfverfahrens wird am Beispiel des Schreins der Heiligen Drei Könige gezeigt, wie sich mit dem Wirbelstromprüfverfahren unterschiedliche Metalllegierungen unter einer Vergoldung zerstörungsfrei identifizieren lassen. Der Schrein der Heiligen Drei Könige wurde um das Jahr 1200 von Nikolaus von Verdun erschaffen, ca. 1750 von Johann Rohr und 1807 von Wilhelm Pollack restauriert. Die Restaurierungsarbeiten wurden jedoch nur unvollständig dokumentiert. Es ist bekannt, dass zu den unterschiedlichen Zeiten unterschiedliche Metalllegierungen als Grundmaterial unter der Vergoldung verwendet wurden. Mit Hilfe von Vergleichsproben aus einer Sammlung der Kölner Dombauverwaltung ließen sich die Akanthus-Prägungen des Schreins den verschiedenen Restaurierungen zuordnen. T2 - 1. Fachseminar Historisches trifft Materialkunde CY - Quedlinburg, Germany DA - 20.02.2024 KW - Zerstörungsfreie Prüfung KW - Wirbelstromprüfung KW - Leitfähigkeitsmessung PY - 2024 AN - OPUS4-59569 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mishurova, Tatiana T1 - Applications of x-ray computed tomography in material science N2 - The overview of the activity of Federal Institute for Material Research and Testing (BAM, Belin, Germany) in the field material characterization by X-ray imaging is presented. The principle of X-ray Computed Tomography (XCT) is explained. The multiple examples of application of quantitative analysis by XCT are reported, such as additive manufacturing, Li-ion battery, concrete research. T2 - Lecture for PhD students at Politecnico di Torino CY - Turin, Italy DA - 14.03.2024 KW - X-ray computed tomography KW - Additive manufacturing PY - 2024 AN - OPUS4-59689 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chazeau, E. A1 - Fabre, C. A1 - Privat, M. A1 - Godard, A. A1 - Racoeur, C. A1 - Bodio, E. A1 - Busser, B. A1 - Wegner, Karl David A1 - Sancey, L. A1 - Paul, C. A1 - Goze, C. T1 - Comparison of the In Vitro and In Vivo Behavior of a Series of NIR-II-Emitting Aza-BODIPYs Containing Different Water-Solubilizing Groups and Their Trastuzumab Antibody Conjugates N2 - The development of new fluorescent organic probes effective in the NIR-II region is currently a fast-growing field and represents a challenge in the domain of medical imaging. In this study, we have designed and synthesized an innovative series of aza-boron dipyrromethenes emitting in the NIR-II region. We have investigated the effect of different water-solubilizing groups not only on the photophysical properties of the compounds but also on their in vitro and in vivo performance after bioconjugation to the antibody trastuzumab. Remarkably, we discovered that the most lipophilic compound unexpectedly displayed the most favorable in vivo properties after bioconjugation. This underlines the profound influence that the fluorophore functionalization approach can have on the efficiency of the resulting imaging agent. KW - NIR-II KW - In vivo imaging KW - Fluorescence KW - Spectroscopy KW - Antibody conjugates PY - 2024 DO - https://doi.org/10.1021/acs.jmedchem.3c02139 SN - 1520-4804 VL - 67 IS - 5 SP - 3679 EP - 3691 PB - ACS Publications CY - Washington, DC AN - OPUS4-59607 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Krüger, Jörg T1 - Gefährdung durch Röntgenemission bei der UKP-Laser-Materialbearbeitung N2 - Der Vortrag gibt einen Überblick zu ultrakurzen Laserpulsen, der Ultrakurzpulslaser-Materialbearbeitung und der dabei ggf. auftretenden unerwünschten Röntgenstrahlung. Es wird die Laserbearbeitung von technischen und biologischen Materialien diskutiert. Schutzmöglichkeiten gegenüber der Röntgenstrahlung werden erörtert. T2 - Sonthofer Strahlenschutztage 2024 CY - Sonthofen, Germany DA - 11.03.2024 KW - Ultrakurzpulslaser KW - Laser-induzierte Röntgenstrahlung KW - Materialbearbeitung KW - Technische Materialien KW - Biologische Anwendungen PY - 2024 AN - OPUS4-59667 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Pauw, Brian Richard T1 - Trinamic TMCL IOC for exposing Trinamics motor controllers to EPICS CA N2 - Trinamic TMCL IOC is a Python package designed for controlling stepper motors connected to a Trinamic board using the TMCL language (all boards supported by PyTrinamic should now work, has been tested on the TMCM 6110 and the TMCM 6214). Since it is implementing the TMCL protocol, it should be easy to adapt to other Trinamic motor controller boards. This package assumes the motor controller is connected over a machine network via a network-to-serial converter, but the underlying PyTrinamic package allows for other connections too. This allows the control of attached motors via the EPICS Channel-Access virtual communications bus. If EPICS is not desired, plain Pythonic control via motion_control should also be possible. An example for this will be provided in the example.ipynb Jupyter notebook. This package leverages Caproto for EPICS IOCs and a modified PyTrinamic library for the motor board control, and interfaces between the two via an internal set of dataclasses. Configuration for the motors and boards are loaded from YAML files (see tests/testdata/example_config.yaml). The modifications to PyTrinamic involved extending their library with a socket interface. This was a minor modification that should eventually find its way into the official package (a pull request has been submitted). KW - Instrumentation KW - Motor controller KW - EPICS KW - Channel access KW - Instrument control KW - Laboratory automation PY - 2024 DO - https://doi.org/10.5281/zenodo.10792593 PB - Zenodo CY - Geneva AN - OPUS4-59624 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Blaeß, Carsten A1 - Müller, Ralf A1 - Boccaccini, A. R. T1 - Sintering and crystallization kinetics of bioactive glass 13-93 N2 - This study investigates the sintering and crystallization behavior and kinetic of the bioactive glass (BG) 13–93 with nominal composition (in mol%): 54.6 SiO2 - 1.7 P2O3 - 22.1 CaO - 6.0 Na2O - 7.9 K2O - 7.7 MgO. Sintering and crystallization were investigated non-isothermally for various particle size fractions smaller than 315 μm as well as for bulk samples. Densification was not hindered by the presence of crystalline phases across all particle size fractions. Afterwards, wollastonite was found as the dominant crystal phase at higher temperature which resorb primary surface precipitation-like quartz crystallites. The growth direction shifts into volume when the sample surface is nearly covered. The crystal growth rate of wollastonite was calculated from the crystalline surface layer thickness measured during heating. The findings of this study are relevant for the high temperature processing of BG 13–93. KW - Bioactive glass KW - Sintering KW - Crystallization PY - 2024 DO - https://doi.org/10.1016/j.jnoncrysol.2023.122790 SN - 0022-3093 VL - 627 SP - 1 EP - 7 PB - Elsevier AN - OPUS4-59337 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR 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: 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 (consistent) and variant (context-specific) 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 paper, an approach how to maintain a comprehensive MSE-centric terminology composing a mid-level ontology–the Platform MaterialDigital Core Ontology (PMDco)–via MSE community-based curation procedures is presented. The illustrated findings show how the PMDco bridges semantic gaps between high-level, MSE-specific, and other science domain semantics. Additionally, it demonstrates how the PMDco lowers development and integration thresholds. Moreover, the research highlights how to fuel it with real-world data sources ranging from manually conducted experiments and simulations with continuously automated industrial applications. KW - Ontology KW - Materials science and engineering KW - Knowledge representation KW - Reproducibility KW - Semantic interoperability KW - Semantic data integration PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-592948 DO - https://doi.org/10.1016/j.matdes.2023.112603 SN - 0264-1275 VL - 237 SP - 1 EP - 12 PB - Elsevier CY - Amsterdam AN - OPUS4-59294 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Krüger, Jörg T1 - Röntgenstrahlungsexposition bei der Anwendung von Ultrakurzpulslasern in der Medizin N2 - Die Laserbearbeitung von Materialien mit ultrakurzen Laserpulsen kann zu einer sekundären Emission gefährlicher Röntgenstrahlen führen. Dieser Effekt wurde bisher bei der Bearbeitung von technischen Materialien wie Metallen beobachtet. Die Röntgenemission bei der abtragenden Bearbeitung von biologischen Geweben ist noch weitgehend unerforscht. Der Vortrag präsentiert erste Untersuchungen und Ergebnisse des radiologischen Gefährdungspotentials bei der medizinischen Anwendung von Ultrakurzpulslasern am Menschen. T2 - Bayerische Laserschutztage 2024 CY - Nuremberg, Germany DA - 17.01.2024 KW - Ultrakurzpulslaser KW - Laser-induzierte Röntgenstrahlung KW - Medizinische Anwendung KW - Auge KW - Zahn PY - 2024 AN - OPUS4-59399 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Barzegar, M. A1 - Lugovtsova, Yevgeniya A1 - Bulling, Jannis A1 - Mishurova, Tatiana A1 - Pasadas, Dario J. A1 - Ribeiro, Artur L. A1 - Ramos, Helena G. T1 - Adhesive Porosity Analysis of Composite Adhesive Joints Using Ultrasonic Guided Waves N2 - Adhesively bonded composite joints can develop voids and porosity during fabrication, leading to stress concentration and a reduced load-carrying capacity. Hence, adhesive porosity analysis during the fabrication is crucial to ensure the required quality and reliability. Ultrasonic-guided wave (UGW)-based techniques without advanced signal processing often provide low-resolution imaging and can be ineffective for detecting small-size defects. This article proposes a damage imaging process for adhesive porosity analysis of bonded composite plates using UGWs measured by scanning laser Doppler vibrometer (LDV). To implement this approach, a piezoelectric transducer is mounted on the composite joint specimen to generate UGWs, which are measured over a densely sampled area. The signals obtained from the scan are processed using the proposed signal processing in different domains. Through the utilization of filter banks in frequency and wavenumber domains, along with the root-mean-square calculation of filtered signals, damage images of the adhesive region are obtained. It has been observed that different filters provide information related to different void sizes. Combining all the images reconstructed by filters, a final image is obtained which contains damages of various sizes. The images obtained by the proposed method are verified by radiography results and the porosity analysis is presented. The results indicate that the proposed methodology can detect the pores with the smallest detectable pore area of 2.41 mm^2, corresponding to a radius of 0.88 mm, with an overall tendency to overestimate the pore size by an average of 11%. KW - Adhesives KW - Damage imaging KW - Nondestructive testing (NDT) KW - Porosity analysis KW - Signal processing KW - Ultrasonic guided waves (UGWs) PY - 2024 DO - https://doi.org/10.1109/TUFFC.2024.3371671 VL - 71 IS - 4 SP - 485 EP - 495 PB - Institute of Electrical and Electronics Engineers (IEEE) AN - OPUS4-59970 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Krentel, Daniel T1 - Bedarfserhebung für BOS am Beispiel des Projekts InnoBOSK N2 - Im Rahmen des Vortrags wurden die Ergebnisse und die Methodik zur Erhebung von Forschungsbedarfen und Fähigkeitslücken bei den Behörden und Organisationen mit Sicherheitsaufgaben, welche im Rahmen des Projektes InnoBOSK durchgeführt wurden, vorgestellt. Den Schwerpunkt bildete dabei die Umsetzung der Workshops gemeinsam mit den Einsatzkräften und die Umsetzung der problemorientierten Erhebungsmethodik. T2 - Vorstellung im Rahmen eines SiFo-Workshops der Polizei Berlin CY - Berlin, Germany DA - 29.04.2024 KW - Bedarfserhebung KW - SiFo KW - Sicherheitsforschung KW - BOS PY - 2024 AN - OPUS4-59983 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Goswami, Juli Nanda A1 - Haque, Najirul A1 - Seikh, Asiful H. A1 - Bhattacharya, Biswajit A1 - Emmerling, Franziska A1 - Bar, Nimai A1 - Ifseisi, Ahmad A. A1 - Biswas, Surajit A1 - Dolai, Malay T1 - Carboxylative cyclization of propargyl alcohols with carbon dioxide for the synthesis of α-alkylidene cyclic carbonates in presence of Co(III) schiff base complex catalyst N2 - A cobalt(III) complex, [Co(L)3](DMF) (1) of Schiff base ligand HL, 2-((E)-(benzylimino)methyl)-4-bromophenol is prepared and single crystal X-ray structural analysis have also been performed. The structures of complex 1 showed hexa-coordinated mononuclear systems that adopt octahedral geometry. The complex has also exhibited the supramolecular networks through non-covalent interactions like H-bonding, C–Hπ stacking. Moreover, the complex 1 is very effective in the catalytic fixation of carbon dioxide in propergyl alcohols to produce α-alkylidene cyclic carbonates. The catalytic production of α-alkylidene cyclic carbonates have been carried out through carboxylative cyclization of propargyl alcohols using CO2 balloon of 1 atm pressure at 80 ◦C. Solvent free condition (green synthesis) made this catalytic protocol eco-friendly towards the environment. Utilizing various substrates of propargyl alcohols moderate to high percentage yield (62–95%) of respective α-alkylidene cyclic carbonates product have been isolated over this catalytic reaction. Besides, the theoretical calculations (DFT) was performed for the prediction of probable mechanism of the catalytic reaction KW - Catalytic fixation of carbon dioxide KW - Carboxylative cyclization of propargyl alcohols KW - Cobalt (III) Schiff base complex KW - X-ray crystal analysis PY - 2024 DO - https://doi.org/10.1016/j.molstruc.2023.136868 SN - 0022-2860 VL - 1296 IS - Part 1 SP - 1 EP - 8 PB - Elsevier B.V. AN - OPUS4-58947 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Yang, Chunliang A1 - Yan, Fan A1 - Meng, Xiangmeng A1 - Putra, Stephen Nugraha A1 - Bachmann, Marcel A1 - Rethmeier, Michael T1 - Phase-field simulation of the dendrite growth in aluminum alloy AA5754 during alternating current electromagnetic stirring laser beam welding N2 - Electromagnetic stirring is known to promote material flow, reduce porosity, uniform elements distribution, and refine grain in laser beam welding (LBW), which enhances the applicability of LBW in various industries. In this study, a phase-field model of dendrite growth in AA5754 Al alloy electromagnetic stirring laser beam welding was established. The model considered the thermal electromagnetic Lorentz force resulting from the interaction between the electric field generated by the Seebeck effect and the magnetic field, as well as the temperature gradient and solidification rate of the solidification interface obtained from the computational fluid dynamics electromagnetic stirring LBW model. The variation rules of dendrite growth with different magnetic parameters and effects are analyzed. Comprehensively, the magnetic field promotes the solidification rate, thus promoting interfacial instability and a large magnetic flux density leads to a faster interface instability. The solidification rate as well as the temperature gradient affect the growth rate, and the accelerated growth caused by the so lidification rate with a high frequency and a large magnetic flux density effectively inhibits the slow growth caused by the temperature gradient. The thermal electromagnetic Lorentz force is the main factor for the branch increment at low frequencies, while both thermal electromagnetic Lorentz force and temperature gradient in crease the number of branches at high frequencies. The calculated average branch numbers considering various factors in the stable stage under different magnetic parameters were consistent with the results of the scanning electron microscope tests. KW - Laser beam welding KW - Electromagnetic KW - Aluminum alloys KW - Phase field method KW - Dendrite growth PY - 2024 DO - https://doi.org/10.1016/j.ijheatmasstransfer.2023.124754 SN - 0017-9310 VL - 218 SP - 1 EP - 16 PB - Elsevier Ltd. AN - OPUS4-58489 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Stolar, Tomislav A1 - Pearce, Ben K.D. A1 - Etter, Martin A1 - Truong, Khai-Nghi A1 - Ostojić, Tea A1 - Krajnc, Andraž A1 - Mali, Gregor A1 - Rossi, Barbara A1 - Molčanov, Krešimir A1 - Lončarić, Ivor A1 - Meštrović, Ernest A1 - Užarević, Krunoslav A1 - Grisanti, Luca T1 - Base-pairing of uracil and 2,6-diaminopurine: from cocrystals to photoreactivity N2 - We show that the non-canonical nucleobase 2,6-diaminopurine (D) spontaneously base pairs with uracil (U) in water and the solid state without the need to be attached to the ribose-phosphate backbone. Depending on the reaction conditions, D and U assemble in thermodynamically stable hydrated and anhydrated D-U base-paired cocrystals. Under UV irradiation, an aqueous solution of D-U base-pair undergoes photochemical degradation, while a pure aqueous solution of U does not. Our simulations suggest that D may trigger the U photodimerization and show that complementary base-pairing modifies the photochemical properties of nucleobases, which might have implications for prebiotic chemistry. KW - Mechanochemistry KW - In situ monitoring KW - Cocrystals PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608622 DO - https://doi.org/10.1016/j.isci.2024.109894 VL - 27 IS - 6 SP - 1 EP - 14 PB - Elsevier Inc. AN - OPUS4-60862 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Davison, Nathan A1 - Hemingway, Jack M. A1 - Wills, Corinne A1 - Stolar, Tomislav A1 - Waddell, Paul G. A1 - Dixon, Casey M. A1 - Barron, Luke A1 - Dawson, James A. A1 - Lu, Erli T1 - Mechanochemical Synthesis of a Sodium Anion Complex [Na+(2,2,2-cryptand)Na] and Studies of Its Reactivity: Two-Electron and One-Electron Reductions N2 - Group 1 metal molecular chemistry is dominated by a +1 oxidation state, while a 0 oxidation state is widespread in the metals. A more exotic, yet still available, oxidation state of group 1 metal is −1, i.e., alkalide. Reported as early as the 1970s, the alkalides appear in every modern inorganic chemistry textbook as an iconic chemical curiosity, yet their reactivity remains unexplored. This is due to their synthetic hurdles. In this work, we report the first facile synthesis of the archetypical alkalide complex, [Na+(2,2,2-cryptand)Na–], which allows us to unveil a versatile reactivity profile of this once exotic species. KW - Mechanochemistry PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608632 DO - https://doi.org/10.1021/acs.inorgchem.4c02914 VL - 63 IS - 32 SP - 15247 EP - 15258 PB - American Chemical Society (ACS) AN - OPUS4-60863 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Giv, Ali Nemati A1 - Asante, Bright A1 - Yan, Libo A1 - Kasal, Bohumil T1 - Shear performance and durability of adhesively bonded spruce wood-concrete composite joints: Effects of indoor and outdoor environmental conditions, mechanical load, and their coupled effect N2 - A long-term study was conducted on double-lap spruce wood-concrete joints to investigate their shear strength and stiffness over a 12-month period. These joints were manufactured using both wet and dry processes, each incorporating two adhesive types for bonding the wood to the concrete: a brittle epoxy and a ductile polyurethane (PUR). The experimental design exposed the joints to three specific long-term environments: (1) outdoor exposure, (2) indoor conditions with applied load, and (3) outdoor conditions with applied load. The wood concrete joints exposed to outdoor conditions were subjected to destructive shear testing at intervals of 0 (serving as the reference sample), 2, 4, 6, and 12 months, respectively. For joints subjected to both indoor and outdoor conditions with shear loading, the shear deformation of joints was monitored continuously over the 12 months before performing the destructive tests. A gradual reduction in the shear stiffness and strength of dry joints (produced using the dry bond method) exposed to outdoor conditions was observed over a 12-month period, primarily due to bond failure at the concrete-adhesive interface. The wet joints exhibited no degradation in shear stiffness and strength across long-term conditions over the same period. The bond failure observed in dry joints was predominantly associated with stresses arising from dimensional changes in the wood. No degradation was found in the cross-linking density of the adhesive or in the concrete’s compressive stiffness and strength. KW - Adhesively bonded joints KW - Long-term study KW - Ductile PUR KW - Brittle epoxy KW - Outdoor condition KW - Mechanical load KW - Indoor condition PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608878 DO - https://doi.org/10.1016/j.conbuildmat.2024.136905 VL - 436 SP - 1 EP - 22 PB - Elsevier BV AN - OPUS4-60887 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Parthasarathy, Thiyagaraj A1 - Bhattacharya, Biswajit A1 - Emmerling, Franziska A1 - Ghosh, Soumyajit T1 - Design of mechanically flexible photoresponsive cyanostilbene molecular crystals N2 - Photoresponsive molecular crystals have sparked interest owing to their potential application prospects. In this study, we achieved dual mechanical responses of a cyanostilbene-based crystal BN. The crystal exhibited both stress-induced mechanical flexibility and light-induced photomechanical bending. Two distinct mechanical responses are related to different underlying phenomena and were not interlinked. While elasticity is attributed to criss-cross packing arrangement in the isotropic structure, photomechanical bending is attributed to the formation of heterogeneous phase distribution due to monomer to dimer cycloaddition product formation. The crystal did not demonstrate photoswitching activity. However, it exhibited thermal reversibility, highlighting reversible dimer to monomer conversion. KW - Flexible KW - Molecular crystals PY - 2024 DO - https://doi.org/10.1039/D4CE00571F VL - 26 SP - 4634 EP - 4642 PB - Royal Society of Chemistry (RSC) AN - OPUS4-60888 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lemiasheuski, Anton A1 - Kranzmann, Axel A1 - Pfennig, Anja T1 - Herausforderungen und Möglichkeiten des manuellen metallografischen Serienschnittverfahrens anhand einer quantitativen Gefügeanalyse der Grafite eines Gusseisens T1 - Challenges and possibilities of the manual metallographic serial sectioning process using the example of a quantitative microstructural analysis of graphite in cast iron N2 - Die in dieser Studie vorgestellte 3D-Gefüge-Analyse konzentriert sich auf die Kugelgrafite eines Gusseisens des Typs EN-GJS. Es werden die Form anhand des Formfaktors und des Seitenverhältnisses sowie die durchschnittliche Teilchengröße und -verteilung untersucht. Die Form der Grafite in Gusseisenwerkstoffen ist mitentscheidend für die mechanischen Eigenschaften dieser Legierungen und ist bei der Charakterisierung des Werkstoffs unumgänglich. Mittels Metallografischen Serienschnittverfahrens wird von dem Schicht für Schicht abgetragenen und lichtmikroskopisch schichtweise dargestellten Werkstoff ein digitaler Zwilling erstellt. Von diesem dreidimensionalen Zwilling lassen sich beliebige Ebenen digital projizieren und analysieren. Eine konventionelle quantitative 3D-Analyse untersucht die Voxelmenge und -zusammensetzung eines Körpers im 3D-Raum. Die hier vorgestellte Analyse wendet stereologische 2D-Analyseverfahren auf drei Raumebenen des Werkstoffs an. Dabei sind zwei der Ebenen digitale Projektionen des Zwillings. Die zwei rekonstruierten Ebenen des Werkstoffs sind so gewählt, dass die Richtungsvektoren aller drei Ebenen einen 90°-Winkel zueinander bilden. Diese Methodik wird eingehend beschrieben sowie Herausforderungen und Möglichkeiten des hier vorgestellten Serienschnittverfahrens diskutiert. N2 - The 3D microstructure analysis presented in this study focuses on the nodular graphite of an EN-GJS grade cast iron. The shape is analyzed based on shape factor and aspect ratio as well as average particle size and distribution. The shape of graphites in cast iron materials is critical to the mechanical properties of these alloys and is essential for the characterization of the material. Metallographic serial sectioning creates a digital twin of the material, which is removed layer by layer and visualized layer by layer under an optical microscope. From this three-dimensional twin, any number of planes can be digitally projected and analyzed. Conventional quantitative 3D analysis examines the voxel count and composition of a body in 3D space. The analysis presented here applies stereological 2D analysis methods to three spatial planes of the material. Two of the planes are digital projections of the twin. The two reconstructed planes of the material are chosen so that the direction vectors of all three planes form an angle of 90° to each other. The methodology is described in detail and the challenges and opportunities of the serial section method presented here are discussed. KW - Dreidimensionale Gefügeanalyse KW - Three-dimensional microstructure analysis KW - 3D-Metallografie KW - Serienschnittverfahren KW - Gefügerekonstruktion KW - Quantitative Gefügeanalyse KW - 3D metallography KW - Serial sectioning KW - Microstructure reconstruction KW - Quantitative microstructure analysis PY - 2024 DO - https://doi.org/10.1515/pm-2024-0066 SN - 0032-678X VL - 61 IS - 9-10 SP - 746 EP - 768 PB - De Gruyter CY - Berlin/Boston AN - OPUS4-60976 LA - mul AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ermilova, Elena A1 - Hertwig, Andreas A1 - Döhring, Thorsten A1 - Stanik, Eva A1 - Cotroneo, Vincenzo A1 - Gibertini, Eugenio T1 - Ellipsometrical characterization of poly-dopamine layers considered for technical applications N2 - Although the organic molecule dopamine (3,4-dihydroxyphenethylamine) is commonly known as the “hormone of happiness”, thin films of poly-dopamine also have interesting technical properties. When produced by dip coating, the self-organizing layers grow in a reproducible thickness of single or multiple molecule monolayers of a few nanometer thickness only. In this work, we introduce a method of determining the layer thickness of poly-dopamine on mirrors for astronomical X-ray telescopes. This work is based on spectroscopic ellipsometry measurements and involves the development of an optical model for the poly-dopamine layers including the dielectric function. Thereby the complex refractive index of the produced layers was determined, covering the range from the ultraviolet to the near infrared spectral region. These measurement results and the corresponding technical challenges are presented in this contribution. Furthermore, an outlook to potential technical applications of this interesting material is given and poly-dopamine layers will make scientist and engineers hopefully happy as an innovative and fascinating technical solution for the future. T2 - SPIE PHOTONICS EUROPE CY - Strasbourg. France DA - 08.04.2024 KW - Polydopamine KW - Thin Solid Layers KW - X-ray optics KW - Spectroscopic Ellipsometry PY - 2024 SN - 978-1-5106-7344-1 DO - https://doi.org/10.1117/12.3015281 VL - 13013 SP - 1 EP - 8 PB - SPIE digital library AN - OPUS4-60954 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Omar, Hassan A1 - Hertwig, Andreas A1 - Szymoniak, Paulina A1 - Schönhals, Andreas T1 - Signature of the Adsorbed Layer on the glass transition of thin polymer Films: Broadband Dielectric spectroscopy and related techniques N2 - In well annealed thin polymer films with non-repulsive polymer/substrate interaction with a substrate an irreversibly adsorbed layer is expected to form. These adsorbed layers have shown a great potential for technological applications [1]. However, the growth kinetics and the molecular mobility of the adsorbed layer is still not fully understood. This concerns also the influence of the adsorbed layer on the thickness dependence of the glass transition temperature of thin films. This is partly due to the difficult accessibility of these layers in thin films. Here, the irreversibly adsorbed layers of semi-rigid mail chain polymers like polycarbonate or polysulfone are revealed by solvent-leaching experiments. First, the growth kinetics of these layers is investigated as a function of annealing time. The film thickness, topography and the quality of the adsorbed layer is controlled by Atomic Force Microscopy (AFM). Secondly, the molecular mobility of the adsorbed layer is investigated by Broadband Dielectric Spectroscopy (BDS). A developed nanostructured capacitor arrangement is employed to measure the layer with a free surface. In addition to the dielectric experiments, spectroscopic Ellipsometry measurements are carried out to estimate the glass transition of the thin films. The thickness dependence of the glass transition of the thin films is correlated with the adsorbed layer [2,3]. Acknowledgments D. Hülagü and G. Hidde thanked for the help with the ellipsometry measurements. T2 - 12. Conference on Broabband Dielectric Spectroscopy and its Application CY - Lisbon, Portugal DA - 01.09.2024 KW - Thin films PY - 2024 AN - OPUS4-60959 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wegner, Karl David A1 - Hildebrandt, N. T1 - Near infrared quantum dots for biosensing and bioimaging N2 - Quantum dots (QDs) possess unique optoelectronic properties, which make them very attractive to be used as optical probes in biosensing and bioimaging applications. The strong absorbance and light scattering of biological compounds like tissue and blood in the visible range pose a problem. However, if optical probes emitting in the near-infrared (NIR) range are used, scattering, absorption, and autofluorescence of biological components are strongly reduced. This allows for an increased light penetration depth and higher spatial and temporal resolution for the investigation of biological processes. The synthesis and application of NIR emitting QDs is a fast-growing research field and the benefits of using QDs were demonstrated for a variety of applications, such as photoelectrochemical biosensor, in vivo vascular imaging, and fluorescence-guided surgery. This article reviews the state-of-the-art developments in the preparation of NIR/IR QDs and highlights the latest research about their utilization in biosensing and bioimaging applications. KW - Quantum dots KW - Near-infrared KW - Biosensing KW - Bioimaging KW - NIR-II / SWIR KW - Advanced nanomaterials PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-609708 SN - 0165-9936 DO - https://doi.org/10.1016/j.trac.2024.117922 VL - 180 SP - 1 EP - 19 PB - Elsevier B.V. AN - OPUS4-60970 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Diller, Johannes A1 - Siebert, Ludwig A1 - Winkler, Michael A1 - Siebert, Dorina A1 - Blankenhagen, Jakob A1 - Wenzler, David A1 - Radlbeck, Christina A1 - Mensinger, Martin T1 - An integrated approach for detecting and classifying pores and surface topology for fatigue assessment 316L manufactured by powder bed fusion of metals using a laser beam using μ$$ \mu $$CT and machine learning algorithms N2 - AbstractThis research aims to detect and analyze critical internal and surface defects in metal components manufactured by powder bed fusion of metals using a laser beam (PBF‐LB/M). The aim is to assess their impact on the fatigue behavior. Therefore, a combination of methods, including image processing of micro‐computed tomography (CT) scans, fatigue testing, and machine learning, was applied. A workflow was established to contribute to the nondestructive assessment of component quality and mechanical properties. Additionally, this study illustrates the application of machine learning to address a classification problem, specifically the categorization of pores into gas pores and lack of fusion pores. Although it was shown that internal defects exhibited a reduced impact on fatigue behavior compared with surface defects, it was noted that surface defects exert a higher influence on fatigue behavior. A machine learning algorithm was developed to predict the fatigue life using surface defect features as input parameters. KW - Fatigue KW - Machine learning KW - Micro-computed tomography KW - Powder bed fusion of metals using a laser beam KW - Quality assurance PY - 2024 DO - https://doi.org/10.1111/ffe.14375 SN - 8756-758X SP - 1 EP - 16 PB - John Wiley & Sons Ltd. AN - OPUS4-60593 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Lengas, Nikolaos T1 - Drop test simulation of packaging for dangerous goods: Investigation of appropriate drop height adjustment N2 - In the approval process of dangerous goods packagings, drop tests onto a flat, essentially unyielding surface are used to assess resistance against mechanical damage. International adopted regulations like ADR and RID define filling good dependent drop heights and filling degrees whilst the user needs to define the maximum gross mass to be tested and approved. Maximum packaging gross mass is defined conservatively and not reached in practice. To meet the defined gross mass in testing, using additives is permitted. However, in some cases, additives are not desirable due to packaging design or filling substance properties. This leads to deviations from the initial gross mass definition. Hence, a certain drop height adjustment is necessary to achieve the required impact loading. Laboratories frequently adjust drop height assuming a perfectly elastic collision which is inaccurate. Appropriate adjustment is not trivial due to energy conversion processes, e.g., plastic deformation. In this work, a test stand is developed for measuring the change in kinetic energy of different packaging designs and filling substances in regulative drop tests. The experimental results are used to validate finite-element (FE) models so that packaging properties can be varied in simulated drop test scenarios. The findings intend to describe the appropriate drop height adjustment of the respective packaging with same design but deviating gross mass to produce comparable mechanical response. The results are highly beneficial for testing laboratories, approval issuing authorities and packaging institutes confronted with the problem of testing packages with gross masses other than those to be approved. T2 - 24th IAPRI World Conference CY - Valencia, Spain DA - 17.06.2024 KW - Dangerous goods packagings KW - FEM KW - Drop test KW - Mechanical response PY - 2024 AN - OPUS4-60607 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Krankenhagen, Rainer T1 - Thermographic Investigation of the Anisotropic Behaviour of Additively Manufactured AISI 316 Steel using DED-arc N2 - Additive manufacturing is one of the most promising techniques for industrial production and maintenance, but the specifics of the layered structure must be considered. The Direct Energy Deposition-Arc process enables relatively high deposition rates, which is favourable for larger components. For this study, specimens with different orientations were prepared from one AISI316 steel block – parallel and orthogonal to the deposition plane. Quasistatic tensile loading tests were carried out, monitored by an infrared camera. The obtained surface temperature maps revealed structural differences between both orientations. The consideration of surface temperature transients yields more details about the behaviour of the material under tensile loading than the conventional stress-strain-curve. These preliminary investigations were supplemented by thermographic fatigue trials. Although the anisotropy was also observed during fatigue loading the fatigue behaviour in general was the same, at least for both inspected specimens. The presented results demonstrate the abilities and the potential of thermographic techniques for tensile tests. T2 - 17th Quantitative Infrared Thermography Conference CY - Zagreb, Croatia DA - 01.07.2024 KW - Thermoelastic effect KW - Thermoplastic effect KW - Thermal stress analysis PY - 2024 AN - OPUS4-60574 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Baláž, Matej A1 - Birinci, Mustafa A1 - Şentürk, Kader A1 - Achimovičová, Marcela A1 - Baláž, Peter A1 - Tampubolon, Imelda Octa A1 - Stolar, Tomislav A1 - Bienert, Ralf A1 - Emmerling, Franziska A1 - Erdemoğlu, Sema A1 - Sis, Hikmet A1 - Erdemoğlu, Murat T1 - Utilizing Taguchi method and in situ X-ray powder diffraction monitoring to determine the influence of mechanical activation conditions on the physico-chemical properties and Al leachability of K-feldspar N2 - K-feldspar represents an important natural resource of potassium and aluminum. Within the framework of this study, the K-feldspar was mechanically activated in a planetary ball mill under different conditions planned according to 43 Taguchi orthogonal array experimental design. As outputs, specific surface area (SBET), median particle size (d50), amorphization degree of mineral phases , and Al recovery were used. It was found that the initial d50 value of 293 μm could be reduced to 6.7 μm and the SBET value of 4.7 m2/g could be increased up to 32.5 m2/g upon milling. Both microcline KAl3SiO8, and albite NaAl3SiO8 could be almost completely amorphized, whereas quartz SiO2 still maintained some crystallinity even under the most intensive conditions. Increasing SBET and decreasing the d50 values did not lead to a significant improvement in Al leach recovery, whereas a clear relationship between the amorphization of microcline and the recovered aluminum was found. Analysis of Variance (ANOVA) showed that increasing ball-to-powder ratio is the most beneficial for the improvement in Al recovery. In situ powder X-ray diffraction monitoring performed in an oscillation ball mill under synchrotron irradiation has shown very rapid amorphization of microcline phase at the beginning. However, amorphization of microcline was only partial after two hours of the treatment in this mill, apart from almost complete process in the planetary ball mill. In the end, regressions for the calculation of Al recovery by knowing the values of input parameters were calculated. In general, by just using mechanical activation without the subsequent roasting process that is commonly used to boost metal recoveries, it was possible to quantitatively recover aluminum from K-feldspar. KW - Mechanochemistry KW - Mechanical activation KW - Design of experiments PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-611059 DO - https://doi.org/10.1016/j.jmrt.2024.08.156 SN - 2238-7854 VL - 32 SP - 3886 EP - 3895 PB - Elsevier B.V. AN - OPUS4-61105 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bacurau, V. P. A1 - Moreira, P. A. F. P. A1 - Bertoli, G. A1 - Andreoli, A. F. A1 - Mazzer, E. A1 - de Assis, F. F. A1 - Gargarella, P. A1 - Koga, G. A1 - Stumpf, G. C. A1 - Figueroa, S. J. A. A1 - Widom, M. A1 - Kaufman, M. A1 - Fantin, Andrea A1 - Cao, Y. A1 - Freitas, R. A1 - Miracle, D. A1 - Coury, F. G. T1 - Comprehensive analysis of ordering in CoCrNi and CrNi2 alloys N2 - Chemical Short-Range Order (CSRO) has attracted recent attention from many researchers, creating intense debates about its impact on material properties. The challenges lie in confirming and quantifying CSRO, as its detection proves exceptionally demanding, contributing to conflicting data in the literature regarding its true effects on mechanical properties. Our work uses highprecision calorimetric data to unambiguously prove the existence and, coupled with atomistic simulations, quantify the type of CSRO. This methodology allows us to propose a mechanism for its formation and destruction based on the heat evolution during thermal analysis and facilitates a precise identification of local ordering in CoCrNi alloys. Samples of CoCrNi (Co33Cr33Ni33) and CrNi2 (Cr33Ni66) alloys are fabricated in varying ordered states, extensively characterized via synchrotron X-ray diffraction, X-ray absorption spectroscopy, and transmission electron microscopy. Samples with considerably different ordered states are submitted to tensile tests with in-situ synchrotron X-ray diffraction. We demonstrate, despite inducing varied CSRO levels in CoCrNi, no significant alterations in overall mechanical behavior emerge. However, the CrNi2 alloy, which undergoes long-range ordering, experiences significant shifts in yield strength, ultimate tensile stress and ductility. KW - Mechanical properties KW - Short-range ordering KW - Calorimetry PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-611075 DO - https://doi.org/10.1038/s41467-024-52018-w VL - 15 IS - 1 SP - 1 EP - 11 PB - Springer Science and Business Media LLC AN - OPUS4-61107 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Alić, Jasna A1 - Schlegel, Moritz-Caspar A1 - Emmerling, Franziska A1 - Stolar, Tomislav T1 - Meeting the UN Sustainable Development Goals with Mechanochemistry N2 - Chemistry traditionally relies on reactions in solution, but this method is increasingly problematic due to the scale of chemical processes and their economic and environmental impact. Handling residual chemical waste, including solvents, incurs significant costs and environmental pressure. Conversely, novel chemical approaches are needed to address pressing societal issues such as climate change, energy scarcity, food insecurity, and waste pollution. Mechanochemistry, a sustainable chemistry discipline that uses mechanical action to induce chemical reactivity without bulk solvents, is a hot topic in academic research on sustainable and green chemistry. Given its fundamentally different working principles from solution chemistry, mechanochemistry offers more efficient chemical processes and the opportunity to design new chemical reactions. Mechanochemistry has a profound impact on many urgent issues facing our society and it is now necessary to use mechanochemistry to address them. This Minireview aims to provide a guide for using mechanochemistry to meet the United Nations (UN) Sustainable Development Goals (SDGs), thereby contributing to a prosperous society. Detailed analysis shows that mechanochemistry connects with most UN SDGs and offers more cost‐efficiency than other approaches together with a superior environmental performance. KW - Mechanochemistry KW - SDGs PY - 2024 DO - https://doi.org/10.1002/anie.202414745 SP - 1 EP - 3 PB - Wiley AN - OPUS4-61108 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kenges, Kairat A1 - Karafiludis, Stephanos A1 - Džunda, Róbert A1 - Tampubolon, Imelda Octa A1 - Satybaldiyev, Bagdat A1 - Emmerling, Franziska A1 - Baláž, Matej T1 - Calcite–aragonite transformation in an eggshell: a crucial role of organics and assessment of the impact of milling conditions on its extent using Taguchi design N2 - The occurrence of calcite–aragonite phase transformation when a mechanically activated eggshell is triggered by the presence of the organic material (eggshell membrane). KW - Mechanochemistry KW - Polymorphism PY - 2024 DO - https://doi.org/10.1039/D4CP02354D SP - 1 EP - 9 PB - Royal Society of Chemistry (RSC) AN - OPUS4-61110 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Epperlein, Martin T1 - Digitale Qualitätssicherung in der Additiven Fertigung und Voraussetzungen in der Qualitätsinfrastruktur N2 - Der Vortrag gibt einen Überblick über die Aktivitäten im QI-Digital Use Case Additive Fertigung, den aktuellen Stand und nächste Schritte. Es wurde eine digitale Prozesskette für den PBF-LB/M Prozess aufgebaut. Hier werden Daten entlang der gesamten Fertigungsstrecke gesammelt, ausgewertet und zur Qualitätssicherung weiterverarbeitet. Die grundlegende Datenstruktur wurde in die Normung überführt. T2 - TÜV SÜD Fachtagung: Additive Fertigung von Druckgeräten CY - Munich, Germany DA - 17.09.2024 KW - Digitalisierung KW - Qualitätsinfrastruktur KW - Additive Fertigung PY - 2024 AN - OPUS4-61089 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hicke, Konstantin T1 - Fibre Optic Sensing @BAM N2 - The profile of division 8.6 Fibre Optic Sensors is shown, underlining specific competencies and know-how. Furthermore, several current application examples of the use of distributed fiber optic sensing for condition and state monitoring are presented. T2 - Visit and technical tour of OECD/NEA CODAP working group led by Gesellschaft für Anlagen- und Reaktorsicherheit CY - Berlin, Germany DA - 19.09.2024 KW - Distributed fiber optic sensing KW - Condition monitoring KW - Geomonitoring KW - Structural health monitoring KW - Embedded fiber optic sensor PY - 2024 AN - OPUS4-61080 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Tang, Chi-Long T1 - UFP-Emission beim 3D-Druck N2 - Desktop-3D-Drucker haben in der letzten Dekade große Popularität in Bildungseinrichtungen, kleinen Unternehmen und Privathaushalten erlangt. Weit verbreitet ist mittlerweile die „Fused Filament Fabrication (FFF)“ Technologie. Hier wird ein thermoplastisches Filament geschmolzen, durch eine Metalldüse extrudiert und anschließend schichtweise so auf ein Druckbett aufgetragen, dass ein 3D-Objekt entsteht. Das Filamentmaterial wird dabei thermisch stark belastet, was zur Emission von Aerosolen sowie flüchtigen organischen Verbindungen (VOC) führt. Dabei werden hauptsächlich ultrafeine Partikel (UFP, dP < 100 nm) freigesetzt werden, die sogar in manchen Fällen im sub-4nm Größenbereich einen signifikanten Anteil ausmachen können (Tang und Seeger 2024). Die gesundheitliche Relevanz eingeatmeter UFP ist durch sehr viele Studien gut belegt. Während eines i.d.R. mehrstündigen FFF-Druckvorgangs wird ein Anwender mit diesen Luftschadstoffen im Innenraum exponiert, häufig ohne eine Einschätzung des damit verbundenen Risikos zu haben. Die Exposition kann durch technische Faktoren (z.B. Druckerausstattung und -einstellung, Innenraumventilation), aber auch erheblich durch die Filamentauswahl beeinflusst werden. Unser Vorschlag zur Risikominderung besteht in der Auszeichnung emissionsarmer Filamentprodukte mit dem Umweltzeichen „Blauer Engel“, um so den Verbrauchern eine fundierte Auswahl zu ermöglichen. In unserem Projekt entwickeln wir dafür ein kammerbasiertes, standardisierbares und robustes Prüfverfahren zur vergleichenden Messung der Emission aus Filamenten. Mit dem Strangdruck-Verfahren (engl. Strand Printing Method, SPM) wird eine festgelegte Filamentlänge mit konstanter Rate extrudiert und auf dem Druckbett abgelegt, ohne dabei ein 3D-Objekt aufzubauen. Diese Vorgehensweise reduziert den Einfluss experimentell schlecht zu kontrollierender Faktoren sowie die Ausfallquote. Eine detaillierte Beschreibung und die Vorteile von SPM werden in Tang und Seeger (2022) erläutert. SPM wurde bereits für 44 Filamentprodukte aus unterschiedlichen Polymeren und Additiven als Vergleichstest angewendet. Alle Messungen wurden in einer klimatisierten 1 m³-Emissionsprüfkammer durchgeführt. Die Gesamtanzahl der emittierten Partikel (TP) dient als Beurteilungsmaß, in Anlehnung an die Vergabegrundlage DE-UZ-219 des Umweltzeichens Blauer Engel für Laserdrucker. Unter den getesteten Filamentprodukten variiert TP um ca. vier Größenordnungen (1E+9 ≤ TP ≤ 1E+13). Auch innerhalb jeder der untersuchten Polymergruppen variierte TP signifikant. Die Partikelemission kann daher nicht allein nach dem Basispolymer kategorisiert werden. Unsere Resultate belegen, dass die Stärke der Partikelemission eher eine charakteristische und individuelle Eigenschaft eines Filamentproduktes ist. Die Herkunft der Polymere, die herstellerspezifischen Additive sowie die nicht deklarierte Verunreinigungen können einen starken Einfluss auf die Emission haben. Die Auszeichnung von emissionsarmen Filament-produkten verspricht somit eine einfache, aber effektive Maßnahme zu sein, um Verbrauchern eine Minderung des Expositionsrisikos beim FFF-3D-Druck zu ermöglichen. T2 - 5. Symposium "Ultrafeinstaub in der Atmosphäre und in Innenräumen" CY - Berlin, Germany DA - 16.09.2024 KW - 3D-Druck KW - Ultrafeine Partikel KW - Innenraumemission KW - Luftschadstoffe KW - Emissionsprüfung PY - 2024 AN - OPUS4-61067 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Merízio, Leonnam Gotardo A1 - Machado, Ian Pompermayer A1 - Vastamäki, Roosa A1 - de Camargo, Andréa Simone Stucchi A1 - Lastusaari, Mika T1 - Multifunctional persistent luminescent and photochromic hackmanite-based materials prepared by microwave-assisted solid-state synthesis N2 - Advanced optical materials inspired by natural minerals and non-toxic light elements, such as the Hackmanites (Na8Al6Si6O24(Cl,S)2), find vast possibilities of applications as they can simultaneously perform photochromism and persistent luminescence (PersL). In this work, we have explored a rapid and energy-efficient microwaveassisted (MASS) methodology for the synthesis of PersL and photochromic hackmanites. In addition, we have prepared hackmanite materials using a zeolite-free precursor to control the Na–Al–Si ratio and study its influence on the materials photoluminescent properties. The PersL hackmanites showed a white-bluish emission color, with up to 2 h of emission time. Zeolite-free photochromic materials were able to change the color from white to purple/blue efficiently with a few seconds of 254 nm excitation, but the usage of zeolite precursors enhanced the overall optical performance. Microwave synthesis times of 10–40 min were demonstrated to be optimal, as longer times boosted the formation of nepheline spurious phase, which decreases luminescence efficiency. In this way, the MASS method led to a reduction of reaction time up to 98 %, yielding hackmanite materials with similar photoluminescent or photochromic properties compared to those obtained by a 24 h conventional solid-state synthesis. This work represents a significant improvement toward coupling eco-friendly synthetic processes to eco-friendly solid-state materials for PersL illumination and PersL/photochromism optical marking. KW - Hackmanite KW - Persistent luminescence KW - Photochromism KW - Microwave-assisted synthesis PY - 2024 DO - https://doi.org/10.1016/j.optmat.2024.115826 SN - 0925-3467 VL - 155 SP - 1 EP - 13 PB - Elsevier B.V. AN - OPUS4-60787 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kolmangadi, Mohamed A. A1 - Wani, Y. M. A1 - Schönhals, Andreas A1 - Nikoubashman, A. T1 - Coarse-Grained Simulations of Columnar Ionic Liquid Crystals: Comparison with Experiments N2 - We simulate a homologous series of guanidinium-based columnar ionic liquid crystals (ILCs) using coarse-grained molecular dynamics (MD) simulations with the Martini force field. We systematically vary the length of alkyl side chains, ILC-n (n = 8, 12, 16), and compare our results with previous experimental findings. Experimentally, ILC-8 exhibits a narrow mesophase window and weak columnar order, while ILC-12 and ILC-16 display a broad mesophase window and high columnar order. The MD simulations show that ILC-8 forms a percolated structure, whereas the longer chain analogues self-assemble into columns, with columnar assembly becoming more prominent as the side chain length increases, in qualitative agreement with the experiments. Furthermore, the intercolumnar distance increases monotonically with increasing side chain length and decreases with increasing temperature. Finally, we find that the diffusion coefficient and ionic conductivity decrease substantially with increasing chain length, consistent with experimental observations. We attribute this decrease in mobility to the formation of hexagonally ordered columns, which restrict transport more than percolated networks. KW - Ionic liquid crystals PY - 2024 DO - https://doi.org/10.1021/acs.jpcb.4c03041 SN - 1520-6106 SP - 1 EP - 8 PB - ACS AN - OPUS4-60857 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kadri, Lena A1 - Casali, Lucia A1 - Emmerling, Franziska A1 - Tajber, Lidia T1 - Mechanochemical comparison of ball milling processes for levofloxacin amorphous polymeric systems N2 - This study aimed to investigate the amorphization capabilities of levofloxacin hemihydrate (LVXh), a fluoroquinolone drug, using a polymer excipient, Eudragit® L100 (EL100). Ball milling (BMing) was chosen as the manufacturing process and multiple mill types were utilized for comparison purposes. The product outcomes of each mill were analyzed in detail. The solid-state of the samples produced was comprehensively characterized by Powder X-ray Diffraction (PXRD), In-situ PXRD, Differential Scanning Calorimetry (DSC), Solid-State Fourier Transform Infrared Spectroscopy (FT-IR), and Dynamic Vapor Sorption (DVS). The crystallographic planes of LVXh were investigated by in-situ PXRD to disclose the presence or absence of weak crystallographic plane(s). The mechanism of LVXh:EL100 system formation was discovered as a two-step process, first involving amorphization of LVXh followed by an interaction with EL100, rather than as an instantaneous process. DVS studies of LVXh:EL100 samples showed different stability properties depending on the mill used and % LVXh present. Overall, a more sustainable approach for achieving full amorphization of the fluoroquinolone drug, LVXh, was accomplished, and advancements to the fast-growing world of pharmaceutical mechano- and tribo-chemistry were made. KW - Levofloxacin KW - Eudragit® L100 KW - Mechanochemistry KW - Phase transformation KW - In situ monitoring PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-611129 DO - https://doi.org/10.1016/j.ijpharm.2024.124652 SN - 0378-5173 VL - 665 SP - 1 EP - 16 PB - Elsevier B.V. AN - OPUS4-61112 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pakrashy, Sourav A1 - Chakraborty, Souvik A1 - Manna, Sounik A1 - Nanda Goswami, Juli A1 - Bhattacharya, Biswajit A1 - Emmerling, Franziska A1 - Mandal, Jishu A1 - Misra, Sourav A1 - Maiti Choudhury, Sujata A1 - Okla, Mohammad K. A1 - Bose, Adity A1 - Maurya, Pawan Kumar A1 - Majhi, Anjoy A1 - Dolai, Malay T1 - Inhibition of Human Colorectal Cancer by a Natural Product 7-Acetylhorminone and Interactions with BSA/HSA: Multispectral Analysis and In Silico and In Vitro Studies N2 - We have semi-synthesized a natural product 7-acetylhorminone from crude extract of Premna obtusifolia (Indian headache tree), which is active against colorectal cancer after probation through computational screening methods as it passed through the set parameters of pharmacokinetics (most important nonblood–brain barrier permeant) and drug likeliness (e.g., Lipinski’s, Ghose’s, Veber’s rule) which most other phytoconstituents failed to pass combined with docking with EGFR protein which is highly upregulated in the colorectal carcinoma cell. The structure of 7-acetylhorminone was confirmed by single crystal X-ray diffraction studies and 1H NMR, 13C NMR, and COSY studies. To validate the theoretical studies, first, in vitro experiments were carried out against human colorectal carcinoma cell lines (HCT116) which revealed the potent cytotoxic efficacy of 7-acetylhorminone and verified preliminary investigation. Second, the drugability of 7-acetylhorminone interaction with serum albumin proteins (HSA and BSA) is evaluated both theoretically and experimentally via steady-state fluorescence spectroscopic studies, circular dichroism, isothermal titration calorimetry, and molecular docking. In summary, this study reveals the applicability of 7-acetylhorminone as a potent drug candidate or as a combinatorial drug against colorectal cancer. KW - Molecular docking KW - In situ synthesis KW - ADMET PY - 2024 DO - https://doi.org/10.1021/acsabm.4c00335 VL - 7 IS - 5 SP - 3414 EP - 3430 PB - American Chemical Society (ACS) AN - OPUS4-61114 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Glauer, M. A1 - Schilling, Markus A1 - Stappel, M. T1 - A practical ontology development guide N2 - Knowledge representation is becoming increasingly important in view of the large amounts of data that are handled in the modern scientific landscape. Many of the domains that have most readily realised this problem and worked on potential solutions have been the domain of biochemistry. And although the developments sought here were not accompanied by philosophers, this process organically led to the development of formal and structured representations of certain domains. While the resulting structures were not the first formal ontologies, they are ones that are still in wide use to this day. These approaches have led to major advances in the organisation, structuring and communication of scientific results. Since then, a variety of other domains have tried to adapt a similar process and develop their own ontologies. However, the development of ontologies from the domain of biochemistry was the result of a years-long process that also involved a large number of errors and course corrections. One of the greatest challenges is also one of the greatest strengths of ontologies: Interoperability with other ontologies. To ensure this interoperability, ontologies must follow certain principles. In the field of biochemistry, the OBO Foundry has established itself, which offers functionalities for a rich network of ontologies from the domain, but at the same time also defines rules. The purpose of this document is to define a similar set of rules for open ontology development, but which addresses a broader domain and at the same time lowers the barrier of entry for new ontology developers. To this end, we will outline a workflow that can be used to build new ontologies more efficiently. This workflow is based not only on our own years of experience in ontology development, but also on the rules of external experts such as the OBO Foundry. KW - Ontology KW - Data integration KW - Ontologie KW - Data interoperability PY - 2024 UR - https://scientific-ontology-network.github.io/ UR - https://github.com/scientific-ontology-network/ontology-development-guide/releases/download/v0.1.0/ontology-guide.pdf SP - 1 EP - 27 PB - GitHub CY - San Francisco ET - Version 0.1 AN - OPUS4-61140 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Birkholz, Henk A1 - Bayerlein, Bernd T1 - Evolution of the PMD Core Ontology (PMDco) Towards ISO/IEC 21838-2:2021 Basic Formal Ontology (BFO) 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 - MSE Congress 2024 - Materials Science and Engineering CY - Darmstadt, Germany DA - 24.09.2024 KW - Ontology KW - Semantic Interoperability KW - Knowledge representation KW - FAIR Data Management KW - PMD Core Ontology PY - 2024 AN - OPUS4-61141 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Eisenbart, Miriam T1 - Digitalization of a high-throughput alloy development process N2 - Digitalization is nowadays the central key in developing pharmaceutical products, but it also becomes increasingly important in computer aided material development. In this work it is presented how a collaborative ontology development for the alloy development process is approached and a workflow for chemical optimization of copper alloys is introduced. This is done by employing a combination of a high-throughput alloy development method [1] with the calculation of the corresponding phase compositions. The work presented here is part of the publicly funded project KupferDigital. The project is associated with the innovation platform MaterialDigital (PMD) and focusses on the digitalization of processes as well as knowledge representation along the life-cycle of copper and copper alloys. One part of this life cycle is the alloy development of copper alloys, in this case the alloy development employing a high throughput method based on diffusion couples. The alloy development process can be further broken down into several typical material processing steps such as casting, diffusion welding and annealing. As part of the copper life cycle, the constitution and the properties of an alloy play an important role for processes further down the road during product manufacturing and service life and are also crucial for the recycling properties of the alloy. It is therefore important to, on the one hand, communicate data concerning properties, process history and constitution to the following stations of the life cycle, on the other hand, it is also elementary for the material scientist to be aware of the recycling properties of the alloys constituents. This motivates sharing of data along the life cycle and the development of ontology based data spaces, where life-cycle information can be linked across all involved domains. As part of the alloy development process, it is presented how experimental data created at fem are shared using linked data and ontologies with an example based on the digital representation of the chemical composition of copper alloys further processed by CALculation of PHAse Diagrams (CALPHAD) at the Fraunhofer IWM. The calculation results are used to correlate measured hardness data with the equilibrium phases of the alloys. Selected Compositions are cast and heat treated and subjected to mechanical testing at BAM and the resulting mechanical property-data are again linked to the measured and simulated data from the alloy development process. T2 - MSE2024 CY - Darmstadt, Germany DA - 24.09.2024 KW - Digitalization KW - Alloy development PY - 2024 AN - OPUS4-61150 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hilgenberg, Kai T1 - Additive Fertigungsverfahren und Defekte N2 - Überblick über die derzeitig wichtigsten additiven Fertigungsverfahren für metallische Werkstoffe in der Industrie (PBF, DED, BJT) und Berücksichtigung der wesentlichen Prozessmerkmale und Nachbearbeitungsschritte. Vorstellung der wichtigsten Defektphänomene und Nennung von Ursachen und Abhilfemaßnahmen. T2 - BAM Akademie: Qualitätssicherung in der additiven Fertigung CY - Online meeting DA - 17.09.2024 KW - Additive Fertigung KW - Defekte KW - Überblick PY - 2024 AN - OPUS4-61172 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schob, Daniela T1 - Deformation-Induced Martensitic Transformation in Fused Filament Fabricated Austenitic Stainless Steels During Tension at Wide Range of Temperatures. Part 2: Numerical Simulation N2 - Structural components of superconducting magnets (e.g., collars, bladders, or keys) with complex shapes, operating at cryogenic temperatures (4K, 77K), as well as additional elements of tanks for storing liquid hydrogen (20K), such as hoses and valves, are made of austenitic steel. With conventional manufacturing technologies, complex geometries are difficult to manufacture. In contrast, additive manufacturing offers the possibility of easier production of complex geometries, although the knowledge about the material behavior is not yet comprehensively available. The scientific objective of the project is the experimental identification and numerical simulation of the evolution of the deformation-induced martensitic transformation and the prediction of the material behavior of Fused Filemant Fabricated (FFF) 316L for cryogenic applications. The material behavior of FFF-316L under tensile stress at both room temperature and 77K was characterized. Utilizing experimental data and microstructure analysis through scanning electron microscopy, a comprehensive material model [1] was used. This constitutive model is centered on the deformation-induced martensitic transformation at both ambient and cryogenic temperatures. The linear kinetic law of evolution of deformation-induced phase transformation in ASS is adopted [1]. It posits that the phase transformation is driven by the accumulated plastic strain. The model intricately links the intensity of plastic deformation to the phase transformation, employing a mixed kinematic/isotropic linear plastic hardening approach based on Mori-Tanaka homogenization. A numerical results will be verified experimentaly at room and at 77K. T2 - 43rd Solid Mechanics Conference CY - Wroclaw, Poland DA - 16.09.2024 KW - Phase transformation KW - Deformation-induced martensitic transformation KW - 316L KW - Fused Deposition Modelling PY - 2024 AN - OPUS4-61181 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Friedrich, Alexander T1 - Simulation data for eddy current rail testing - simulation accuracy and evaluation uncertainty quantification N2 - This dataset serve to quantify the simulation error and the evaluation uncertainties in the context of eddy current rail testing. It was obtained during the AIFRI project (Artificial Intelligence for Rail Inspection) with the Faraday software by INTEGRATED Engineering Software, using its BEM Solver. KW - Non-destructive testing KW - Eddy current testing KW - Eddy current simulstion PY - 2024 DO - https://doi.org/10.5281/zenodo.13970374 PB - Zenodo CY - Geneva AN - OPUS4-61470 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Abed, Jehad A1 - Bai, Yanh A1 - Persaud, Daniel A1 - Kim, Jiheon A1 - Witt, Julia A1 - Hattrick.Simpers, Jason A1 - Sargent, Edward T1 - AMPERE: automated modular platform for expedited and reproducible electrochemical testing N2 - Rapid and reliable electrochemical screening is critical to accelerate the development of catalysts for sustainable energy generation and storage. This paper introduces an automated and modular platform for expedited and reproducible electrochemical testing (AMPERE), designed to enhance the efficiency and reliability of multivariate optimization. The platform integrates a liquid-handling robot with custommade modular array reactors, offering sample preparation and electrochemical testing in the same platform. Additionally, we use offline inductively coupled plasma optical emission spectroscopy (ICPOES) to measure metal concentrations in the electrolyte after the reaction, which serves as a proxy for assessing the electrochemical stability. We use the platform to conduct 168 experiments continuously in less than 40 hours to examine the influence of catalyst ink formulation on the performance of Ir, Ru, IrO2, and RuO2 for the oxygen evolution reaction (OER) in acid. We specifically investigate the role of solvent type and concentration, catalyst concentration, and binder content on the performance. We find that Ru/RuO2 catalysts show improvements in activity that are not directly linked to improvements in the electrochemical surface area or inversely correlated to Ru dissolution. This suggests a complex interplay between the catalytic performance of the drop-casted catalyst film and ink formulation. AMPERE simplifies catalyst preparation and testing at large scale, making it faster, more reliable, and accessible for widespread use. KW - Electrochemical screening KW - Automated platform KW - Catalysis KW - Energy generation and storage KW - Oxygen evolution reaction (OER) KW - MAPz@BAM PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-614724 DO - https://doi.org/10.1039/d4dd00203b SP - 1 EP - 10 PB - Royal Society of Chemistry (RSC) AN - OPUS4-61472 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Strauß, Lea T1 - Empirical Model for Fatigue Life Prediction N2 - Laser-based powder bed fusion (PBF-LB) is an advanced additive manufacturing technique renowned for its precision and capability to fabricate complex metal components. However, the high thermal gradients and rapid cooling rates intrinsic to this process introduce significant process-induced effects, such as inhomogeneities, surface roughness, anisotropy, and residual stress, all of which critically influence the fatigue behavior of the produced parts. This study investigates the fatigue performance of AlSi10Mg samples produced by PBF-LB, examining the impact of varying surface conditions, geometries, and residual stress levels. Fatigue life prediction models are formulated based on nominal stress amplitude, residual stress, notch factor, crackinitiating inhomogeneity, and surface roughness, with smooth samples serving as a baseline reference. The study presents two empirical models for predicting fatigue life and fatigue strength using S-N curves and the Kitagawa-Takahashi diagram with the El Haddad approach, derived from comprehensive experimental data, including finite element modelling, fatigue life measurements, surface roughness evaluations, and residual stress analysis. T2 - ICAM2024 CY - Atlanta, GA, USA DA - 28.10.2024 KW - AlSi10Mg KW - Kitagawa-Takahashi diagram KW - Equivalent stress KW - Fatigue life prediction KW - PBF-LB/M PY - 2024 AN - OPUS4-61538 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Madia, Mauro T1 - Fatigue Strength of Aerospace Parts Repaired by Cold Spray N2 - Aerospace components are safety critical parts, which are often replaced when found defective after the fabrication process or after periodic inspection in-service. Cold spray repair is a promising and cost-saving alternative to replacing worn parts. Depositing materials in decent quality fill machined damage volumes can enhance the performance of refurbished parts and extend their working life. Furthermore, repair represents a resource-efficient and green process in a world targeting at decarbonization of many industrial sectors. Component repair consists of a defined sequence of operations. First, damage is removed by machining, then new material is applied by cold spray on the machined substrate. Usually, the original functional shape of the component is restored by machining. Post-spraying heat treatments can be applied where required. Despite the advantages, cold spray repair still suffers from major limitations which prevent its application in safety relevant parts. The main challenges are posed by the poor adhesion strength, the porosity inherent in the manufacturing process, the reduced ductility and the presence of residual stresses. This work presents recent results obtained in the frame of the cluster project CORE devoted to the development of automatized repair of aerospace parts by cold spray. The investigations consider high-strength aluminum alloys typically used in structural applications in the aerospace industry. As the fatigue properties are crucial to the safe application of repaired components, and given the presence of process-induced defects, a damage tolerant framework is peculiarly suitable for the structural integrity assessment of repaired commponents and give an indication of the permissible defects to optimize the parameters of the cold spray process. Several high cycle fatigue and fatigue crack propagation tests have been performed to compare the fatigue performance of base and repaired materials. The mechanical tests are corroborated by fractographic and microstructural investigations. T2 - ICAM2024 CY - Atlanta, GA, USA DA - 28.10.2024 KW - Cold Spray KW - Aerospace KW - Repair KW - Structural Integrity KW - Fatigue Strength PY - 2024 AN - OPUS4-61539 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Seeber, Henrik T1 - Explosivstoffkunde - Physikalische Grundlagen und Explosionswirkung N2 - Der Vortrag „Explosivstoffkunde - Physikalische Grundlagen und Explosionswirkung“ ist ein Lehrvortrag, welcher die folgenden Unterkapitel enthält: Einteilung und Definition, Sprengstoffe und Kenngrößen, Physikalische Grundlagen, Explosionswirkung und Low Level Blast Belastung. Die thematische Tiefe stellt lediglich einen Überblick dar. Der Schwerpunkt liegt insgesamt auf der Auswirkungsbetrachtung von Explosivstoffen insbesondere auf der primären Explosionswirkung, also dem Überdruck oder auch Blast genannt. T2 - 25. Neurotraumakurs BwK Ulm CY - Ulm, Germany DA - 15.10.2024 KW - Primäre Explosionswirkug KW - Blast injury KW - Pressure wave KW - Druckwelle PY - 2024 AN - OPUS4-61446 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ertural, Christina T1 - Phonon-accurate machine-learning potentials from automated workflows N2 - Data-driven materials design aims to predict and optimise material properties, such as stability and thermal conductivity, that are influenced by vibrational behaviour. Approaches such as DFT are computationally demanding and have limitations for phonon calculations. Machine learning based interatomic potentials (MLIP), such as the Gaussian Approximation Potential (GAP), offer a more efficient alternative. We have developed a Python workflow to automate MLIP generation using the Materials Project database. DFT calculations, MLIP fitting and benchmarking steps are automated. This approach speeds up phonon calculations and allows testing of different data generation strategies and hyperparameters. Our goal is to provide open source and share these capabilities to improve reproducibility and accessibility in computational chemistry. This talk will provide a hih-level overview of the automated software and recent preliminary results. T2 - Berlin PostDoc Day 2024 CY - Berlin, Germany DA - 07.11.2024 KW - Interatomic potentials KW - Machine learning KW - Phonons KW - Thermoelectrics KW - Automated workflows PY - 2024 AN - OPUS4-61576 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kellermeier, Matthias A1 - Scheck, Johanna A1 - Drechsler, Markus A1 - Rosenberg, Rose A1 - Stawski, Tomasz A1 - Fernandez-Martinez, Alejandro A1 - Gebauer, Denis A1 - Van Driessche, Alexander E. S. T1 - From Ions to Crystals: A Comprehensive View of the Non‐Classical Nucleation of Calcium Sulfate N2 - After years of intensive research and numerous important observations, our understanding of the early stages of crystallization is still limited due to the complexity of the underlying processes and their elusive character. In the present work, we provide a detailed view on the nucleation of calcium sulfate mineralization – an abundant mineral with broad use in construction industry – in aqueous systems at ambient conditions. As experimental basis, a co‐titration procedure with potentiometric, turbidimetric and conductometric detection was developed, allowing solution speciation and the formation of crystallization precursors to be monitored quantitatively as the level of nominal (super)saturation gradually increases. The nature and spatiotemporal evolution of these precursors was further elucidated by time‐resolved small‐angle X‐ray scattering (SAXS) and analytical ultracentrifugation (AUC) experiments, complemented by cryogenic transmission electron microscopy (cryo‐TEM) as a direct imaging technique. The results reveal how ions associate into nanometric primary species, which subsequently aggregate and develop anisotropic order by intrinsic structural reorganization. Our observations challenge the common understanding of fundamental notions such as the nucleation barrier or the meaning of supersaturation, with broad implications for mineralization phenomena in general and the formation of calcium sulfate in geochemical settings and industrial applications in particular. KW - Calcium sulfate KW - Gypsum KW - Nucleation KW - Crystallisation PY - 2024 DO - https://doi.org/10.1002/anie.202408429 SP - 1 EP - 12 PB - Wiley AN - OPUS4-61585 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schultheiß, Annika L. A1 - Kruschwitz, Sabine A1 - Wilsch, Gerd A1 - Bogner, Andreas A1 - Patel, Ravi T1 - Lessons learnt on quantiative spatial chloride analysis using libs and µXRF N2 - Understanding chloride ingress is crucial in the context of the durability of concrete structures against corrosion. Techniques such as Laser-Induced Breakdown Spectroscopy (LIBS) and Micro X‑ray Fluorescence (µXRF) can provide a 2D representation of chloride ingress. However, obtaining quantitative data from such techniques is not a trivial task. In this study, we focus on factors such as sample preparation, measurement settings, calibration strategy, and post-processing of results which directly affect the outcome of the experiments but are rarely discussed in the literature. T2 - Rilem Annual Week 2024 CY - Toulouse, Frankreich DA - 25.08.2024 KW - Durability KW - Chloride ingress KW - LIBS KW - µXRF KW - Nondestructive testing KW - Imaging PY - 2024 SP - 1 EP - 9 AN - OPUS4-61664 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Osgood, A. A1 - Creamer, M. A1 - Bishop, K. A1 - Feston, J. A1 - Kiever, S. A1 - Kelley, P. A1 - Plarre, Rüdiger T1 - LLIN (Long-lasting Insecticidal Netting) as a barrier protection against museum pests of major importance N2 - In IPM, setting physical and chemical barriers is a cornerstone for pest prevention designed to protect cultural heritage objects in museum settings. Combining a physical barrier with a chemical barrier in the form of Long-Lasting-Insecticidal Netting (LLIN) has proved to be effective against mosquitos in many parts of the world, while in museums there have been promising studies of LLIN for monitoring and controlling Tineola bisselliella and dermestids. This research explores the efficacy of LLIN as an IPM tool in three unique settings to help inform how they work against other major pests of museums. In the first study, we tested the suitability and efficacy of LLIN under controlled laboratory conditions to prevent hatching of Anobium punctatum from infested material. Artificial breeding material containing multiple A. punctatum full-grown larvae and pupae inside and with expected hatch of adult beetles shortly was enclosed with LLIN. Number of emerging beetles and their longevity was compared to an equal setup with an untreated variety of the netting. While emerging beetles with contact to untreated nettings showed a normal lifespan of up to one month, those with contact to LLIN died immediately or within one day after, thus preventing their potential spread completely. In the second study, the efficacy of LLIN as a barrier protection against grey silverfish, Ctenolepisma longicaudatum was tested by quantifying C. longicaudatum mortality rates after different exposures times to LLIN. The third study takes the LLIN into the field to determine efficacy and practical implementation as a containment barrier for cyclical A. punctatum populations in historic house structures. Infestation by A. punctatum has been a recurring and widespread issue at Gedney House (c. 1665), a non-climate controlled, wood frame building in coastal Massachusetts USA. Over the years, Historic New England, as stewards of the property have implemented many historic preservation and conservation IPM practices, including landscaping measures, water mediation, and regular inspections as part of a holistic IPM program. Many pest species thrive in damp and warm conditions, making Gedney House a prime infestation risk. LLIN was hung in various areas of the basement of the Gedney House with a construction-grade vapor barrier, Tyvek, as a secondary layer for collecting dead A. punctatum after emergence from the rafters and other architectural fragments and subsequent contact with the netting. After 18 months, a large volume of dead A. punctatum caught in the LLIN and vapor barrier encapsulation was observed. This study illustrates how LLIN can be a useful tool for a non-destructive, minimally invasive IPM program implemented by museum staff to monitor and understand A. punctatum activity. The combined results of these studies will inform museum professionals and pest management specialists how to best utilize LLINs in museum settings when trying to prevent damage from these majorly important pests of museums. T2 - 5th International IPM Conference for Cultural Heritage CY - Berlin, Germany DA - 18.09.2024 KW - IPM KW - Museum KW - Cultural Heritage KW - Insect Netting PY - 2024 AN - OPUS4-61606 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Szymoniak, Paulina T1 - Supramolecular Polymerization Induced by Confined Structural Water in Small Crown Macrocycle N2 - Structural water, integral to biological systems, i.e., for protein stability and function, has rarely been explored in materials science. Supramolecular polymers, which assemble through non-covalent interactions, offer functionalities such as responsiveness and self-healing. Traditionally, in such systems water is considered as a solvent. Herein, a novel water-induced supramolecular polymer hydrogel is reported, formed by a single crown ether macrocycle with a selenoxide hydrogen bonding receptor and a hydrophobic selenium-substituted core. Structural water was confined in a nanosegregated three-dimensional architecture, maintaining water in a liquid-like state down to -80 °C. Unlike previous studies requiring multiple crown ether units for structural water formation, this single unit system effectively controls structural water and supramolecular polymerization. The presence of confined water was revealed through dielectric and Flash DSC experiments. The resulting hydrogel exhibits exceptional adhesion to hydrophilic surfaces, retaining strength at low temperatures. These findings demonstrate the significant role of a single macrocycle in governing water structure and functionality in supramolecular systems. An expansion of the understanding of water's role beyond a solvent has been achieved, showcasing its potential as a comonomer in material science, particularly in the development of responsive, adhesive supramolecular polymers and hydrogels. T2 - Polydays 2024 CY - Berlin, Germany DA - 30.09.2024 KW - Hydrogels KW - Structural water PY - 2024 AN - OPUS4-61658 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schmidt, Jonathan T1 - Hochaufgelöste visuelle In-situ Prozessüberwachung im PBF-LB/M N2 - Im Rahmen dieses Vortrags werden die bisherigen Arbeiten des Fachbereichs 9.6 zur hochauflösenden visuellen In-Situ Prozessüberwachung im pulverbettbasierten Schmelzen von Metall mittels Laserstrahl (PBF-LB/M) vorgestellt. Als Kamerasystem dient eine 65-Megapixel-Monochromkamera, die in eine kommerzielle PBF-LB/M-Maschine integriert wurde und eine räumliche Auflösung von 17,2 µm/Pixel erreicht. Zur Problemstrukturierung werden Defekte im PBF-LB/M als indirekte und direkte Defekte klassifiziert und ihre Erkennung anhand von Schichtbildern diskutiert. Zudem wird der Einfluss der Beleuchtungssituation auf die Erkennbarkeit von Defekten untersucht. Darüber hinaus wird der Kontrast der Grauwertmatrix als Indikator für das Vorliegen von Bindefehlern vorgestellt. T2 - 11. Mitteldeutsches Forum 3D-Druck in der Anwendung CY - Merseburg, Germany DA - 16.10.2024 KW - Additive manufacturing KW - Image processing KW - In-situ monitoring PY - 2024 AN - OPUS4-61376 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gugin, Nikita T1 - Mechanochemistry: the Art of Upscaling N2 - "Mechanochemistry: The Art of Upscaling" talk explores the transition from small-scale ball milling reactions to large-scale production using reactive extrusion. This talk focuses on the challenges and strategies involved in scaling up mechanochemical processes, emphasizing the critical role of in situ monitoring techniques such as Raman spectroscopy and energy-dispersive X-ray diffraction (EDXRD). These methods provide real-time insights into reaction dynamics and phase changes, enabling the optimization of process parameters for efficient and controlled upscaling. The discussion highlights key advancements in the field and their industrial applications. T2 - SALSA Make and Measure conference CY - Berlin, Germany DA - 11.09.2024 KW - Mechanochemistry KW - Reactive extrusion PY - 2024 AN - OPUS4-61397 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 - Jany, B. R. A1 - Bala, P. T1 - EBSD and TKD analyses using inverted contrast Kikuchi diffraction patterns and alternative measurement geometries N2 - Electron backscatter diffraction (EBSD) patterns can exhibit Kikuchi bands with inverted contrast due to anomalous absorption. This can be observed, for example, on samples with nanoscale topography, in case of a low tilt backscattering geometry, or for transmission Kikuchi diffraction (TKD) on thicker samples. Three examples are discussed where contrast-inverted physics-based simulated master patterns have been applied to find the correct crystal orientation. As first EBSD example, self-assembled gold nanostructures made of Au fcc and Au hcp phases on single-crystal germanium were investigated. Gold covered about 12% of the mapped area, with only two thirds being successfully interpreted using standard Hough-based indexing. The remaining third was solved by brute force indexing using a contrast-inverted master pattern. The second EBSD example deals with maps collected at a non-tilted surface instead of the commonly used 70◦ tilted one. As TKD example, a jet-polished foil made of duplex stainless steel 2205 was examined. The thin part close to the hole edge producing normal-contrast patterns were standard indexed. The areas of the foil that become thicker with increasing distance from the edge of the hole produce contrast-inverted patterns. They covered three times the evaluable area and were successfully processed using the contrast-inverted master pattern. In the last example, inverted patterns collected at a non-tiled sample were mathematically inverted to normal contrast, and Hough/Radon-based indexing was successfully applied. KW - EBSD KW - TKD KW - Contrast inversion KW - Topography KW - Kikuchi diffraction PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-613862 VL - 267 SP - 1 EP - 8 PB - Elsevier CY - Amsterdam AN - OPUS4-61386 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Weichert, Dorina A1 - Kister, Alexander A1 - Houben, Sebastian A1 - Link, Patrick A1 - Ernis, Gunar ED - Kiyavash, Negar ED - Mooij, Joris M. T1 - Robust Entropy Search for Safe Efficient Bayesian Optimization N2 - The practical use of Bayesian Optimization (BO) in engineering applications imposes special requirements: high sampling efficiency on the one hand and finding a robust solution on the other hand. We address the case of adversarial robustness, where all parameters are controllable during the optimization process, but a subset of them is uncontrollable or even adversely perturbed at the time of application. To this end, we develop an efficient information-based acquisition function that we call Robust Entropy Search (RES). We empirically demonstrate its benefits in experiments on synthetic and real-life data. The results show that RES reliably finds robust optima, outperforming state-of-the-art algorithms. T2 - UAI 2024 CY - Barcelona, Spain DA - 15.07.2024 KW - Bayesian Optimization KW - Gaussian process KW - Active learning PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-613523 UR - https://proceedings.mlr.press/v244/weichert24a.html SN - 2640-3498 VL - 244 SP - 3711 EP - 3729 PB - Proceedings of Machine Learning Research AN - OPUS4-61352 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hilgenberg, Kai T1 - Digitale Qualitätssicherung in der Additiven Fertigung N2 - Der Vortrag stellt das Pilotprojekt Additive Fertigung innerhalb von QI Digital vor und zeigt bisher Erreichtes. Dies umfasst eine digital durchgängige Baujobvorbereitung, automatisierte Datenerhebung und -registrierung sowie die Einbindung des Prozessmonitorings. Seitens der PTB wird ein digitaler Prüfbericht vorgestellt. T2 - QI Forum 2024 CY - Berlin, Germany DA - 09.10.2024 KW - Additive Fertigung KW - Digitale Qualitätssicherung KW - QI Digital PY - 2024 AN - OPUS4-61361 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Erning, Johann Wilhelm T1 - Hygienische Bewertung von SLM-gedrucktem rostfreiem Stahl N2 - Werkstoffe im Kontakt mit Trinkwasser müssen hygienisch bewertet werden. Hier wird ein bereits bewerteter Werkstoff wegen neuer Fertigungsmethoden (additive Fertigung) erneut geprüft und die Besonderheiten durch das Verfahren dargestellt. Der Werkstoff ist auch mit additiver Produktionsmethode geeignet. T2 - GfKORR - Jahrestagung CY - Frankfurt am Main, Germany DA - 05.11.2024 KW - Additive Fertigung KW - Trinkwasser KW - Korrosion KW - Nichtrostender Stahl PY - 2024 AN - OPUS4-61845 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Denkler, Tilman T1 - The Metabuilding Labs approach to Quality Assurance – Standard Operating Procedures and Work Instructions for the O3BETs N2 - The development of the Standard Operating Procedures and Work Instructions for the O3BETs by setting up 3 working roups during Summer 2024 aredescribed. Major achievements are shown and future work is outlined. T2 - 6th General Meeting Metabuilding Labs CY - Szentender, Hungary DA - 26.11.2024 KW - Open innovation test bed KW - Metabuilding Labs KW - Quality management PY - 2024 AN - OPUS4-61866 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Melzer, Michael T1 - The temperature DCC exposed N2 - The DAkkS-accredited calibration laboratory of the German Federal Institute for Materials Research and Testing (BAM) has established valid XML digital calibration certificates (DCCs) for calibrations of resistance thermometers within the scope of its accreditation. Hence, all necessary information according to ISO/IEC 17025 and the DKD-R 5-1 calibration rule is provided in a machine-readable and machine-interpretable form. Furthermore, we actively participate in the definition of general and community-specific good practice requirements for the DCC of temperature quantities as technical specifications, hosted by the German Calibration Service (DKD). In this contribution the entire XML source code of a DCC from a Pt 100 thermometer calibration will be exposed and discussed. The DCC was automatically generated using a self-implemented middleware that is compiling the metadata (i.e. customer-, order-, item- and method data) and combines it with the measured calibration data and influence conditions into a process- and lab-specific DCC template. Since it was issued as an accredited calibration certificate, the validated and authorized DCC is also equipped with the novel digital accreditation symbol to form an `eAttestation´. This advanced electronic seal with a qualified certificate was recently piloted with the German national accreditation body (DAkkS), and, after successful validation by the receiver, verifies the active accreditation status of the issuing body at the time of sealing (authorization). As it also provides all other functionalities of an electronic seal, (i.e. data integrity and authenticity), it can fully replace a digital signature on accredited DCCs. The presented temperature DCC architecture fully complies to the latest good practice definitions of the DKD and thus represents a level 4 DCC according to the utility model for machine interpretability of DCCs. This also includes basic and quantity-specific refType definitions that are linked to an online refType repository to harmonize these key semantic providing elements across other DCC-issuing laboratories. The paper and also its conference poster will not represent a general introduction and motivation for the DCC itself. It rather addresses more detailed aspects of good practice, especially for DCCs from temperature quantity calibrations and may stimulate in-depth discussions between DCC experts from the providing, utilizing and accrediting points of view. The work was performed within the national QI-Digital initiative of the German Federal Ministry for Economic Affairs and Climate Action. T2 - IMEKO 2024 XXIV World Congress CY - Hamburg, Germany DA - 26.08.2024 KW - Digital Calibration Certificate KW - E-Attestation KW - QI-Digital KW - Digital Metrology KW - Calibration PY - 2024 UR - https://www.imeko2024.org/home AN - OPUS4-61872 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Melzer, Michael T1 - Accredited Digital Calibration Certificates (DCCs): Automated Generation and Utilization for Thermal Process Monitoring T1 - Der digitale Kalibrierschien (DCC) mit Akkreditierung: Metrologische Rückführung und Qualitätssicherung auf Knopfdruck N2 - The accredited calibration laboratory of the German Federal Institute for Materials Research and Testing (BAM) has established validated XML digital calibration certificates for calibrations of resistance thermometers (e.g. Pt100) within the scope of its accreditation. Hence, all necessary information according to ISO/IEC 17025 and the DKD-R 5-1 calibration rule is provided in a machine-readable and machine-interpretable form. For the automated DCC generation, a self-implemented middleware is compiling the calibration- and metadata into a process- and lab-specific DCC template. All generated DCCs can be readily validated against the approved DCC schema (v.3.2.1). Furthermore, the authorized DCCs are equipped with the novel digital accreditation symbol, that was recently piloted with the German national accreditation body (DAkkS). In order to demonstrate the added value of DCCs particularly on the receiver side, a DCC demonstrator was developed for the use case of thermal process monitoring, which is also exhibited at the “innovative calibration” area. The software automatically processes incoming DCCs, to provide metrological traceability and a quality-assured process conformity assessment, practically at the push of a button. T2 - SENSOR+TEST 2024 Technology Forum "Innovative Calibration" CY - Nuremberg, Germany DA - 11.06.2024 KW - Digital Calibration Certificate KW - QI-digital KW - Digital Metrology KW - Calibration PY - 2024 UR - https://www.sensor-test.de/de/besucher/sensor-test-2024-digital/ AN - OPUS4-61875 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schilling, Markus A1 - Bruns, Sebastian A1 - Bayerlein, Bernd A1 - Kryeziu, Jehona A1 - Schaarschmidt, Jörg A1 - Waitelonis, Jörg A1 - Dolabella Portella, Pedro A1 - Durst, Karsten T1 - Seamless Science: Lifting Experimental Mechanical Testing Lab Data to an Interoperable Semantic Representation N2 - The scientific landscape is undergoing rapid transformations with the advent of the digital age which revolutionizes research methodologies. In materials science and engineering, an adoption of modern data management techniques is desirable to maximize the efficiency and accessibility of research efforts. Traditional practices in testing laboratories are usually inadequate for efficient data acquisition and utilization as they lead to local storage and difficulty in publication and correlation with other results. Electronic laboratory notebooks (ELNs) are promising prospects in this respect. Semantic concepts and ontologies enhance interoperability by standardizing experimental data representation. An in‐laboratory pipeline seamlessly integrating an ELN with transformation scripts to convert experimental into interoperable data in a machine‐actionable format is created in this study as a proof of concept. Tensile test results and the corresponding tensile test ontology are used exemplary. Linking ELN data to semantic concepts enriches the stored information while improving interpretability and reusability. Involving undergraduate students builds a bridge between theory and practice during their training and promotes their digital skills. This study underscores the potential of ELNs and knowledge representations as beneficial means toward improved data management practices that enhance collaborative research and education while ensuring compatibility with evolving standards and technologies. KW - Semantic Data KW - Data Integration KW - Tensile Test Ontology KW - Electronic Lab Notebook KW - Wissensrepräsentation KW - Education PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-618251 DO - https://doi.org/10.1002/adem.202401527 SP - 1 EP - 13 PB - Wiley VHC-Verlag AN - OPUS4-61825 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schilling, Markus T1 - Interoperabilität und Wiederverwendung von Materialdaten: Der Weg zu Daten- und Wissensrepräsentationen in der PMD N2 - Die Integration und Wiederverwendung von Wissen und Daten aus der Herstellung, Bearbeitung und Charakterisierung von Materialien wird im Zuge der digitalen Transformation in der Materialwissenschaft und Werkstofftechnologie in verschiedenen Projekten behandelt. Dabei liegt der Fokus auf der Interoperabilität von Daten und Anwendungen, die nach den FAIR-Prinzipien erstellt und veröffentlicht werden. Zur Umsetzung eines komplexen Datenmanagements und der Digitalisierung im Bereich der Materialwissenschaften gewinnen Ontologien zunehmend an Bedeutung. Sie ermöglichen sowohl menschenlesbare als auch maschinenverständliche und -interpretierbare Wissensrepräsentationen durch semantische Konzeptualisierungen. Im Rahmen des Projektes Plattform MaterialDigital (PMD, materialdigital.de), welches in dieser Präsentation vorgestellt wird, werden Ontologien verschiedener Ebenen entwickelt (verbindende mid-level sowie Domänen-Ontologien). Die PMD-Kernontologie (PMD Core Ontology - PMDco) ist eine Ontologie der mittleren Ebene, die Verbindungen zwischen spezifischeren MSE-Anwendungsontologien und domänenneutralen Konzepten herstellt, die in bereits etablierten Ontologien höherer Ebenen (top-level Ontology) verwendet werden. Sie stellt somit einen umfassenden Satz von durch Konsensbildung in der Gemeinschaft (geteiltes Vokabular) entstanden Bausteinen grundlegender Konzepte aus der Materialwissenschaft und Werkstofftechnik (MSE) dar. In dieser Präsentation wird die PMDco adressiert. Weiterhin wird eine auf die PMDco bezogene normenkonforme ontologische Repräsentation zur Speicherung und Weiterverarbeitung von Zugversuchsdaten – die Tensile Test Ontology (TTO) – präsentiert, die in enger Zusammenarbeit mit dem zugehörigen DIN-Standardisierungsgremium NA 062-01-42 AA erstellt wurde. Dies umfasst den Weg von der Entwicklung einer Ontologie nach Norm, der Konvertierung von Daten aus Standardtests in das interoperable RDF-Format bis hin zur Verbindung von Ontologie und Daten. Auf Grundlage der dabei entwickelten Struktur und Vorgehensweise können weitere Materialcharakterisierungsmethoden semantisch beschrieben werden, woraus sich in diesem Zusammenhang Kooperationsmöglichkeiten ergeben. T2 - 20. Sitzung des NA 062-01-43 AA CY - Online meeting DA - 28.05.2024 KW - Semantische Daten KW - Plattform Material Digital KW - Ontologie KW - Normung KW - Wissensrepräsentation PY - 2024 AN - OPUS4-60178 LA - deu 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 - JOUR A1 - Li, Guiping A1 - Liu, Ye A1 - Schultz, Thorsten A1 - Exner, Moritz A1 - Muydinov, Ruslan A1 - Wang, Hui A1 - Scheurell, Kerstin A1 - Huang, Jieyang A1 - Szymoniak, Paulina A1 - Pinna, Nicola A1 - Koch, Norbert A1 - Adelhelm, Philipp A1 - Bojdys, Michael J. T1 - One‐Pot Synthesis of High‐Capacity Sulfur Cathodes via In‐Situ Polymerization of a Porous Imine‐Based Polymer N2 - AbstractLithium‐ion batteries, essential for electronics and electric vehicles, predominantly use cathodes made from critical materials like cobalt. Sulfur‐based cathodes, offering a high theoretical capacity of 1675 mAh g−1 and environmental advantages due to sulfur's abundance and lower toxicity, present a more sustainable alternative. However, state‐of‐the‐art sulfur‐based electrodes do not reach the theoretical capacities, mainly because conventional electrode production relies on mixing of components into weakly coordinated slurries. Consequently, sulfur‘s mobility leads to battery degradation—an effect known as the “sulfur‐shuttle”. This study introduces a solution by developing a microporous, covalently‐bonded, imine‐based polymer network grown in situ around sulfur particles on the current collector. The polymer network (i) enables selective transport of electrolyte and Li‐ions through pores of defined size, and (ii) acts as a robust host to retain the active component of the electrode (sulfur species). The resulting cathode has superior rate performance from 0.1 C (1360 mAh g−1) to 3 C (807 mAh g−1). Demonstrating a high‐performance, sustainable sulfur cathode produced via a simple one‐pot process, our research underlines the potential of microporous polymers in addressing sulfur diffusion issues, paving the way for sulfur electrodes as viable alternatives to traditional metal‐based cathodes. KW - In-situ polymerization KW - Sulfur cathodes PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-604215 DO - https://doi.org/10.1002/anie.202400382 SN - 1433-7851 SP - 1 EP - 11 PB - Wiley VHC-Verlag AN - OPUS4-60421 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schilling, Markus 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 - JOUR A1 - Nag, Sayak A1 - Emmerling, Franziska A1 - Tothadi, Srinu A1 - Bhattacharya, Biswajit A1 - Ghosh, Soumyajit T1 - Distinct photomechanical responses of two new 1,3-dimethylbarbituric acid derivative crystals N2 - We demonstrate two distinct photomechanical responses (i.e. photomechanical bending and photosalient bursting) of two new 1,3-dimethylbarbituric acid derivative crystals based on tailoring their substituents and the modulation of their spacers. KW - Crystal engineering KW - Fexible crystals PY - 2024 DO - https://doi.org/10.1039/D4CE00233D SP - 1 EP - 12 PB - Royal Society of Chemistry (RSC) AN - OPUS4-60141 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Poka, Konstantin A1 - Ali, Sozol A1 - Saeed, Waleed A1 - Merz, Benjamin A1 - Epperlein, Martin A1 - Hilgenberg, Kai T1 - Design and implementation of a machine log for PBF-LB/M on basis of IoT communication architectures and an ETL pipeline N2 - AbstractPowder Bed Fusion with Laser Beam of Metals (PBF-LB/M) has gained more industrial relevance and already demonstrated applications at a small series scale. However, its widespread adoption in various use cases faces challenges due to the absence of interfaces to established Manufacturing Execution Systems (MES) that support customers in the predominantly data-driven quality assurance. Current state-of-the-art PBF-LB/M machines utilize communication architectures, such as OPC Unified Architecture (OPC UA), Message Queuing Telemetry Transport (MQTT) and Representational State Transfer Application Programming Interface (REST API). In the context of the Reference Architecture Model Industry 4.0 (RAMI 4.0) and the Internet of Things (IoT), the assets, particularly the physical PBF-LB/M machines, already have an integration layer implemented to communicate data such as process states or sensor values. Missing is an MES component acting as a communication and information layer. To address this gap, the proposed Extract Transform Load (ETL) pipeline aims to extract relevant data from the fabrication of each build cycle down to the level of scan vectors and additionally to register process signals. The suggested data schema for archiving each build cycle adheres to all terms defined by ISO/TC 261—Additive Manufacturing (AM). In relation to the measurement frequency, all data are reorganized into entities, such as the AM machine, build cycle, part, layer, and scan vector. These scan vectors are stored in a runtime-independent format, including all metadata, to be valid and traceable. The resulting machine log represents a comprehensive documentation of each build cycle, enabling data-driven quality assurance at process level. KW - FAIR data KW - Data-driven quality assurance KW - Laser powder bed fusion PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-601256 DO - https://doi.org/10.1007/s40964-024-00660-7 SN - 2363-9512 SP - 1 EP - 12 PB - Springer Science and Business Media LLC AN - OPUS4-60125 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schlögl, Johanna A1 - Goldammer, Ole A1 - Bader, Julia A1 - Emmerling, Franziska A1 - Riedel, Sebastian T1 - Introducing AFS ([Al(SO3F)3]x) – a thermally stable, readily available, and catalytically active solid Lewis superacid N2 - This paper introduces the thermally stable, solid Lewis superacid aluminium tris(fluorosulfate) (AFS), that is easy-to-synthesize from commercially available starting materials. Its applicability, e.g. in catalytic C–F bond activations, is shown. KW - Lewis Acid KW - C-F activation PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-601001 DO - https://doi.org/10.1039/D4SC01753F SN - 2041-6520 SP - 1 EP - 7 PB - Royal Society of Chemistry (RSC) AN - OPUS4-60100 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Galleani, Gustavo A1 - Lodi, Thiago A. A1 - Conner, Robin L. A1 - Jacobsohn, Luiz G. A1 - de Camargo, Andrea Simone Stucchi T1 - Photoluminescence and X-ray induced scintillation in Gd3+-Tb3+ co-doped fluoride-phosphate glasses, and derived glass-ceramics containing NaGdF4 nanocrystals N2 - The glass system (50NaPO3–20BaF2–10CaF2–20GdF3)-xTbCl3 with x = 0.3, 1, 3, 5, and 10 wt % was investigated. We successfully produced transparent glass ceramic (GC) scintillators with x = 1 through a melt-quenching process followed by thermal treatment. The luminescence and crystallization characteristics of these materials were thoroughly examined using various analytical methods. The nanocrystallization of Tb3+-doped Na5Gd9F32 within the doped fluoride-phosphate glasses resulted in enhanced photoluminescence (PL) and radioluminescence (RL) of the Tb3+ ions. The GC exhibited an internal PL quantum yield of 33 % and the integrated RL intensity across the UV-visible range was 36 % of that reported for the commercial BGO powder scintillator. This research showcases that Tb-doped fluoridephosphate GCs containing nanocrystalline Na5Gd9F32 have the potential to serve as efficient scintillators while having lower melting temperature compared to traditional silicate and germanate glasses. KW - Glass scintillator KW - Fluoride phosphate glasses KW - Gd3+ KW - Tb3+ PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-603588 DO - https://doi.org/10.1016/j.omx.2023.100288 VL - 21 SP - 1 EP - 9 PB - Elsevier B.V. AN - OPUS4-60358 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Structure-property correlations in RE-doped fluoride-phosphate glasses for scintillation N2 - As the development of optimized glass compositions by traditional trial-and-error methods is laborious, time consuming, and expensive, it is desirable to develop glass compositions based on a fundamental understanding of the glass structure and to establish structure-property relation models. Particularly, when it comes to optical applications of glasses doped with emissive trivalent rare earth ions (RE), the chemical environmental around the ions will have a direct influence on the radiative/non-radiative emission probabilities. The local vibrational environment and the chemical nature of the bonds in the first coordination sphere of the ions can be tailored, to good extent, based on structural information given by magnetic resonance techniques (NMR and EPR), associated to Raman and photophysical characterization. For the past 5 years, while still employed at the University of São Paulo, in Brazil, one of the interests of my research group has been the development of high-density fluoride-phosphate glasses as promising UV and X-ray scintillator materials. The targeted glasses offer a lower vibrational energy, less hygroscopic fluoride environment for the RE ions whereas the phosphate network provides better mechanical and chemical stability than a purely fluoride glass matrix. Different sets of glasses, based on the compositional system (Ba/Sr)F2-M(PO3)3-MF3-(Sc/Y)F3 where M = Al, In, Ga, and the phosphate component is substituted by the fluoride analogue in 10 - 30 mol%, were investigated, using Sc3+, Y3+, and the Eu3+ and Yb3+ dopants, as structural probes. Overall, results show that the desired RE coordination by fluorine, at a given F/P ratio, is proportional to the atomic mass of M (In> Ga> Al) and that the Ga- and In- based systems differ from the Al- one by near absence of P-O-P network linkages. That is, the network structures are dominated by Ga-O-P or In-O-P linkages, as evidenced by 31P MAS-NMR and Raman. These results are nicely corroborated by observation of decreased intensity of the vibronic band in Eu3+-doped glasses and marked increase in excited state lifetime values. Radioluminescence studies were carried out for a series of In-based glasses doped with Ce3+ and Tb3+, yielding intense emissions in the blue and green, respectively, compatible to the spectral region of the highest sensitivity of radiation sensor detectors. The aim of the presentation is to show how powerful the NMR and EPR techniques can be to provide decisive structural information, and to present the research perspectives in my new role as the Head of Division 5.6 – Glass at BAM. T2 - Fachausschusses I „Physik und Chemie des Glases“, DGG CY - Jena, Germany DA - 02.11.2023 KW - Structure-property correlation KW - Fluoride phosphate glasses KW - Scintillators KW - High energy radiation PY - 2024 AN - OPUS4-60360 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schob, Daniela T1 - Comparative Analysis FFF vs. cold rolled 316L Samples N2 - This study provides insights into the properties of 316L stainless steel produced by additive manufacturing using fused filament fabrication (FFF). One key finding is particularly noteworthy: in significant contrast to cold-rolled 316L, FFF316L develops a pronounced martensite phase after fabrication. The comprehensive comparative analysis shows that FFF316L not only retains the ferrite volume content, but that this is also significantly influenced by the build-up direction. Despite the sintering process, which typically involves densification of the material, a pore volume fraction of 8.45 % remains, which influences the mechanical properties. Although FFF316L has lower elastic modulus and tensile strength values compared to cold-rolled 316L, its ductility is still competitive. The study further reveals that deformation-induced martensite forms at the intersections of the deformation twins and ferrite islands form at the grain boundaries during the compression and sintering phases. These findings highlight the challenges associated with FFF316L in specific application fields and signal the need to continue to carefully evaluate and improve the development of manufacturing technologies. T2 - 4th Symposium on Materials and Additive Manufacturing - Additive 2024 CY - Berlin, Germany DA - 12.06.2024 KW - Additive manufacturing KW - Fused Filament Fabrication KW - Computed Tomography KW - 316L Stainless Steel KW - Deformation-Induced Martensite PY - 2024 AN - OPUS4-60302 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Glass Digitalization: Contributions from BAM N2 - An overview of the Glass Digitalization efforts at BAM, within the framework of the Glass Digital consortium, was given. From the development of the robotic melting device to the ML capabilities, a description of the different stages of the developments and roles of project partner was presented. T2 - GlaCerHub Melting Day CY - Oponice, Slovakia DA - 12.06.2024 KW - Glass Digital KW - Robotic glass melting KW - Digitalization PY - 2024 AN - OPUS4-60365 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Gender equality in Sciences: Let´s teach our girls to be brave! N2 - A panorama of the global gender gap scenario in sciences, specially STEM, was given to illustrate the need for urgent actions (and suggestions of them) to correct biased treatment and promote females in their scientific careers. T2 - FunGlass School CY - Oponice, Slovakia DA - 10.06.2024 KW - Gender gap KW - Women in science KW - Female noble prize winners PY - 2024 AN - OPUS4-60366 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Spectroscopy Lectures N2 - As a guest professor of FUNGLASS, I delivered 3 lectures on spectroscopy to the Graduate School Program, the postdoctoral fellows and other researchers: 1) Introduction to spectroscopy applied to solid state materials (with focus on glass and glass ceramics); 2) Vibrational spectroscopy (Infrared and Raman); 3) Electron Paramagnetic Resonance T2 - FunGlass CY - Trencín, Slovakia DA - 03.06.2024 KW - Spectroscopy KW - Radiation-matter interaction KW - FT-IR KW - Raman KW - EPR PY - 2024 AN - OPUS4-60367 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - From guest scintillators to luminescent host-guest hybrid materials and nanoparticles: Contributions from LEMAF N2 - An overview of the research work conducted at LEMAF - the laboratory of spectroscopy of functional materials in IFSC/USP Brazil under my leadership, before I joined BAM was given. T2 - FunGlass Graduate Program School CY - Oponice, Slovakia DA - 10.10.2023 KW - Multifunctional nanoparticles KW - Structure property correlations KW - Host-guest hybrid materials KW - Scintillators KW - Persistent luminescent KW - Phosphors KW - Composite materials PY - 2024 AN - OPUS4-60368 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Gender equality in sciences: Let's teach our girls to be brave! N2 - A global panorama of the Gender Gap in Sciences was presented along with recommendations on how to remediate unequal treatment of females in Science, and to prepare future generations for gender equality. T2 - Lunch Talk - Women@DGM: Gender Mindsets/Bias in an International Context CY - Online meeting DA - 14.06.2024 KW - Gender gap PY - 2024 AN - OPUS4-60369 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Optical properties of glasses and ceramics N2 - Optical glasses and glass ceramics are present in many devices often used in our daily routine, such as the mobile phones and tablets. Since the 1960´s with the development of glass lasers, and more recently, within the search for efficient W-LEDs, sensors and solar converters, this class of materials has experienced extreme research progress. In order to tailor a material for such applications, it is very important to understand and characterize optical properties such as refractive index, transmission window, absorption and emission cross sections, quantum yields, etc. These properties can often be tuned by appropriate compositional choice and post-synthesis processing. In this lecture we will discuss the optical properties of glasses and glass ceramics, relevant to that end. T2 - 2nd CeRTEV Glass School CY - São Carlos, SP, Brazil DA - 22.04.2024 KW - Optical properties of glasses and ceramics PY - 2024 AN - OPUS4-60370 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bayerlein, Bernd 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 - Bayerlein, Bernd 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 - Fink, Friedrich T1 - From Bench to Mini – Identification of technical Lignins with NIR N2 - One of the most underutilized biological materials on our planet is lignin. It is the second most abundant biopolymer after cellulose. On an industrial scale, it mainly accumulates as a by-product in the pulp and paper industry. However, the utilization of technical lignins faces several challenges, including their complex and heterogeneous structure, which makes them difficult to process and limits their application. Additionally, the feedstock origin is a limiting factor. Classification according to the biomass origin is important for quality assurance and predictability of potential applications. In this study, technical lignins were analyzed using a near-infrared (NIR) spectrometer. Different models were developed to classify these lignins, enabling rapid and reliable identification of their biomass sources, including softwoods, hardwoods, straw, and grasses. Various machine learning algorithms such as Support Vector Machines (SVM), Gaussian Process Classification (GPC), Gaussian Naive Bayes (GNB), and Decision Tree Classification (DTC) were compared based on different spectral preprocessing techniques and dimensionality reduction tools. The efficacy of the method was further tested using combined spectra from small handheld and compact spectrometers. T2 - ESOPS 2024 CY - Berlin, Germany DA - 09.09.2024 KW - NIR KW - Lignin PY - 2024 AN - OPUS4-62275 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meermann, Björn T1 - Analytical Approaches for PFAS Sum-parameter Analysis – From Materials to Environment N2 - PFAS sind emerging pollutants und sind omnipräsent – sowohl in vielen Produkten als auch in der Umwelt. Aufgrund der Vielzahl an verschiedenen Verbindungen werden dringend neue Analytische Methoden zum Nachweis der PFAS benötigt. Im Rahmen meines eingeladenen Vortrags werden neue elementanalytische Summenparameterverfahren, die in meinem Fachbereich entwickelt wurden, vorgestellt. T2 - Wiley - Free Virtual Event –The Forefront of Environmental Toxicology CY - Online meeting DA - 25.09.2024 KW - HR-CS-GFMAS KW - PFAS KW - Environment PY - 2024 AN - OPUS4-62244 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meermann, Björn T1 - Analytical Approaches for PFAS Sum-parameter Analysis N2 - PFAS sind emerging pollutants und sind omnipräsent – sowohl in vielen Produkten als auch in der Umwelt. Aufgrund der Vielzahl an verschiedenen Verbindungen werden dringend neue Analytische Methoden zum Nachweis der PFAS benötigt. Im Rahmen meines eingeladenen Vortrags werden neue elementanalytische Summenparameterverfahren, die in meinem Fachbereich entwickelt wurden, vorgestellt. T2 - PFAS partnership workshop CY - Online meeting DA - 27.03.2024 KW - HR-CS-GFMAS KW - PFAS KW - Environment PY - 2024 AN - OPUS4-62247 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Tabin, Jakub T1 - Deformation-Induced Martensitic Transformation In Fused Filament Fabricated Austenitic Stainless Steels During Tension At Wide Range Of Temperatures. Part 1: Experimental Results N2 - Structural components of superconducting magnets (e.g., collars, bladders, or keys) with complex shapes, operating at cryogenic temperatures (4K, 77K), as well as additional elements of tanks for storing liquid hydrogen (20K), such as hoses and valves, are made of austenitic steel. It is well known that achieving a complex shape for these elements using traditional machining methods is challenging. A viable solution lies in using additive manufacturing methods (AM), notably the cost-effective Fused Filament Fabrication (FFF) method. The scientific objective of the project is the experimental identification and numerical simulation of the evolution of the deformation-induced martensitic transformation in Fused Filament Fabricated Austenitic Stainless Steel (FFF ASS) 316L at a wide range of temperatures. We will investigate how deformation-induced phase transformation develops in printed austenitic steels, how the initial state of the sample (e.g., pore distribution) affects it, and whether deformation-induced martensitic transformation influences the rate of damage development, especially at very low temperatures. Does the manufacturing technology of the sample affect the rate of phase transformation or damage development? Finally, but no less important, is whether, as in the case of traditional austenitic steels, the adverse effect of the microdamage field is inhibited by deformation-induced martensitic transformation. Which of these effects dominates in printed austenitic steels and under what conditions? The experimental setup developed in the Institute of Fundamental Technological Research (IPPT PAN) allows for monitoring the evolution of the 3D strain field during the kinematically-controlled tensile tests of macroscopic specimens at 77K. Moreover, the correlation between plastic strain field evolution, martensitic transformation, thermal distributions and acoustic emission will be defined for FFF 316L at 77K and room temperatures. EBSD and EDS investigation of samples pre-strained in uniaxial tensile tests at a wide range of temperatures are also performed. T2 - 43rd Solid Mechanics Conference CY - Wroclaw, Poland DA - 16.09.2024 KW - Deformation-induced martensitic transformation KW - Austenitic Stainless Steel KW - Additive Manufacturing KW - DIC KW - Cryogenic temperatures PY - 2024 AN - OPUS4-61187 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bayerlein, Bernd A1 - Schilling, Markus A1 - Curran, Maurice A1 - Campbell, Carelyn E. A1 - Dima, Alden A. A1 - Birkholz, Henk A1 - Lau, June W. T1 - Natural Language Processing-Driven Microscopy Ontology Development N2 - AbstractThis manuscript describes the accelerated development of an ontology for microscopy in materials science and engineering, leveraging natural language processing (NLP) techniques. Drawing from a comprehensive corpus comprising over 14 k contributions to the Microscopy and Microanalysis conference series, we employed two neural network-based algorithms for NLP. The goal was to semiautomatically create the Microscopy Ontology (MO) that encapsulates and interconnects the terminology most frequently used by the community. The MO, characterized by its interlinked entities and relationships, is designed to enhance the quality of user query results within NexusLIMS. This enhancement is facilitated through the concurrent querying of related terms and the seamless integration of logical connections. KW - Microscopy Ontology KW - Knowledge Representation KW - Semantic Interoperability KW - Natural Language Processing KW - Ontology Development PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-616942 DO - https://doi.org/10.1007/s40192-024-00378-y SP - 1 EP - 12 PB - Springer Science and Business Media LLC AN - OPUS4-61694 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard T1 - The Dark Side of Science (2024.v2 edition) N2 - This talk introduces the dark side of science (the ever increasing levels of fraudulent activities in science and scientific publishing). It furthermore explores why the focus on inherently limited metrics drives this phenomenon, and how one can arm themselves against going down this gradient. Tools and tips are presented to enable assessment of other works, and what can be done in general to move away from this. T2 - Informationsmanagement“ im Master Lebensmitteltechnologie CY - Berlin, Germany DA - 26.11.2024 KW - Research fraud KW - Scientific misconduct KW - Literature research KW - Materials science PY - 2024 AN - OPUS4-61792 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Eisermann, R. T1 - Distributed acoustic/vibration sensing: Towards advanced transformer condition monitoring N2 - A novel method for transformer vibration monitoring using intensity-based distributed acoustic/vibration sensing (DAS/DVS) is presented. Fibre optic sensors were fully integrated into an oil-filled medium voltage distribution transformer. Opencircuit in-situ measurements were carried out using a single and three-phase supply with an electrical power of up to 30 kVA. Spectral analysis of the mechanical vibrations were performed by measuring the frequency response of the transformer using plain fibre- and transducer-based DVS approaches. The results were compared with the spectra of a microphone mounted on the outside of the transformer housing and the electrical measurements on the high voltage side. Using the fibre optic DVS based monitoring we were able to detect changes in operating power and frequency. Further it could be shown, that it is possible to identify anomalous behaviour such as electrical/mechanical noise sources using the determined vibration spectra. T2 - 2024 IEEE International Conference on High Voltage Engineering and Applications (ICHVE) CY - Berlin, Germany DA - 18.08.2024 KW - Distributed acoustic sensing KW - Condition monitoring KW - Transformer monitoring PY - 2024 AN - OPUS4-61799 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pelkner, Matthias T1 - Vielschichtig: Methoden-Einblick Qualitätssicherung in der additiven Fertigung - Modul 3 Wirbelstromprüfung N2 - Überblick über die derzeitige Entwicklungen für das Online-Monitoring additiver Fertigungsverfahren für metallische Werkstoffe mittels der Wirbelstromprüfung. Hierbei wird im Kurs eine Einführung in die Wirbelstromprüfung gegeben sowie erste Entwicklungen hinsichtlich eines Online-Monitoring thematisiert. T2 - BAM Akademie: Vielschichtig: Methoden-Einblick Qualitätssicherung in der additiven Fertigung CY - Online meeting DA - 16.10.2024 KW - Wirbelstromprüfung KW - Additive Fertigung KW - Prozessüberwachung PY - 2024 AN - OPUS4-61765 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pelkner, Matthias T1 - Hochauflösendes WirbelstromPrüfsystem für das Online-Monitoring des PBF-LB/M-Prozesses N2 - Additive Fertigungstechnologien gewinnen immer mehr an Bedeutung. Für komplexe Funktionsbauteile oder die Produktion von Werkstücken in kleinen Stückzahlen wird häufig das Laser-Pulverbettschmelzen eingesetzt. Hohe Sicherheitsanforderungen, wie etwa in der Luft- und Raumfahrt, machen eine umfassende Qualitätskontrolle unerlässlich. Daher kommen nach der Fertigung zerstörungsfreie „Offline“-Prüfverfahren wie die Computertomographie zum Einsatz. Um die Rentabilität und Praktikabilität zu steigern, wurden jüngst zerstörungsfreie Online-Prüfverfahren wie die optische Tomographie entwickelt. Dieser Beitrag demonstriert die Anwendbarkeit der Wirbelstromprüfung mit GMR-Sensoren für die Online-Prüfung von PBF-LB/M-Teilen. Die Ergebnisse einer Online-Wirbelstromprüfung mit GMR-Sensoren und einer Ein-Draht-Anregung werden vorgestellt. Während des Produktionsprozesses wird jede Lage mittels Wirbelstromprüfung kontrolliert. Dank eines hochauflösenden Arrays mit 128 Elementen und angepasster Hardware bleibt die Prüfdauer gering. So kann die Messung während des Beschichtungsvorgangs erfolgen, ohne den Fertigungsprozess erheblich zu verlangsamen. Eine Online-Wirbelstromprüfung u.a. eines stufenförmigen Testkörpers aus Haynes282 über 184 Lagen zeigt, dass Kanten nicht nur in der aktuellen Lage, sondern auch in einer Tiefe von 400 μm bei einer Anregungsfrequenz von bis zu 1,2 MHz erkannt werden können. T2 - Netzwerk ZfP CY - Linz, Austria DA - 19.09.2024 KW - Wirbelstromprüfung KW - Prozessüberwachung KW - GMR KW - PBF/LB-M KW - Additive Fertigung PY - 2024 AN - OPUS4-61771 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Casali, Lucia T1 - Kinetics of the mechanically induced ibuprofen-nicotinamide co-crystal formation by in-situ X-ray diffraction N2 - Mechanochemistry offers sustainable synthesis for pharmaceuticals, though scaling remains challenging. By combining time-resolved in situ X-ray diffraction with kinetic modeling on the mechanosynthesis of the co-crystal ibuprofen-nicotinamide, we identified the reaction-driving factors. This deeper insight opens the way for a scale-up of mechanochemistry in the pharmaceutical industry. T2 - CGOM15 (15th International Workshop on Crystal Growth of Organic Materials) CY - Phuket, Thailand DA - 23.07.2024 KW - Mechanochemistry KW - Kinetics KW - In-situ monitoring PY - 2024 AN - OPUS4-61756 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Casperson, Ralf T1 - DICONDE N2 - Die Standard Practice for Digital Imaging and COmmunication in NonDestructive Evaluation (DICONDE) basiert auf dem medizinischen Standard auf Digital Imaging and COmmunication in Medicine (DICOM). DICOM wurde von der Medical Imaging Technology Association (MITA), einer Tochter der National Electrical Manufacturers Association (NEMA), entwickelt und von der ASTM International (ehemals American Society for Testing and Material) an die zerstörungsfreie Prüfung angepasst. DICONDE ist mehr als nur ein Datenformat, sondern definiert auch Mechanismen zur Auftragsvergabe, Datenarchivierung und Abrufen von daten aus dem Archiv. DICOM entspricht dem FAIR-Prinzip (findable, accessible, interoperable, reusable) und erfüllt die Anforderungen des EU Data Act. T2 - DGZfP FA Automotive CY - Berlin, Germany DA - 20.11.2024 KW - DICONDE KW - EU Data Act PY - 2024 AN - OPUS4-61708 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -