TY - CONF A1 - Abad Andrade, Carlos Enrique T1 - Optical spectrometry for isotope analysis N2 - Isotope analysis plays a critical role in various disciplines, including environmental science, archaeology, and forensic investigations. Traditional methods such as mass spectrometry provide precise isotopic data but often require complex, costly setups and extensive sample preparation. As an alternative, optical spectrometry has emerged as a versatile and less invasive technique. This presentation explores the advancements and applications of optical spectrometry methods in isotope analysis, emphasizing their benefits and challenges. T2 - University of Calgary PHYS 561 - Stable And Radioactive Isotope - Winter 2024 CY - Online meeting DA - 07.03.2024 KW - Isotopes KW - HR-CS-MAS KW - Chemometrics KW - Laser Ablation Molecular Absorption spectrometry KW - LAMIS PY - 2024 AN - OPUS4-59948 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 - de Camargo, Andrea T1 - Optical properties of dental ceramics: Characterization via UV-Vis and photoluminescence spectroscopies N2 - When it comes to dental treatments, success is not only measured by attained functionality but, to a large extent, the associated aesthetics. This can become challenging for certain restorations and implants due to the complex optical characteristic of a tooth, which reflects, absorbs, diffuses, transmits, and even emits light. Thus, to get acceptable aesthetic results, favourable shade matching of ceramic restorations and implants should be achieved by strict control of optical response, which translates into a materials design question. Optical response is affected by several factors such as the composition, crystalline content, porosity, additives, grain size and the angle of incidence of light on the dental ceramics. The properties to be characterized are colour (and its stability), translucency, opalescence, refractive index, and fluorescence. Several techniques can be applied for the characterization of these properties and in this presentation, an overview will be given. Moreover, particular emphasis will be given on the capacitation of less familiarized public to UV-Vis absorption and photoluminescence (PLE) spectroscopies that are versatile and widely employed for functional and structural characterization of glasses and glass ceramic materials. T2 - 2nd BAYLAT Workshop of CERTEV - FAU CY - Nuremberg, Germany DA - 04.12.2023 KW - Optical properties KW - Dental ceramics KW - Optical spectroscopy PY - 2023 AN - OPUS4-60364 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hodoroaba, Vasile-Dan T1 - Ongoing VAMAS ILC s on Nanoparticles and Graphene Oxide N2 - This contributions shows the first results of the ongoing interlaboratory comparisons under VAMAS/TWA 34 Nanoparticle populations related on the determination of pasrticle size distribution and relative concentration of nanoparticles and an example of an ILC running under VAMAS/TWA 41 Graphene and Related 2D Materials on the determination of the lateral diemsnions of graphene oxide flakes by Scanning Electron Microscopy. The link to related standardisation projects at ISO/TC Nanotechnologies are explained. T2 - Webinar Building the Foundation: Interlaboratory Comparisons and Reference Products for Advanced Materials CY - Berlin, Germany DA - 16.05.2024 KW - Nanoparticles KW - VAMAS KW - Interlaboratory comparison KW - Standardisation KW - Electron microscopy KW - AFM KW - SAXS PY - 2024 AN - OPUS4-60097 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Oberbeckmann, Sonja A1 - Gorbushina, Anna T1 - On the intersection of microbiome and material research: what can be achieved? N2 - Any surface in the environment acts as hotspot for microbial attachment and activity. These biofilms represent the interface between humans and the environment. While in the past biofilms were often seen as disturbance, we now start to understand the enormous potential of beneficial biofilms. They can be used in a broad range of applications and are sources for new microorganisms and traits. After all, biofilms represent a great example for a collaborative lifestyle. T2 - Bioeconomy Changemakers Festival, Hereon CY - Teltow, Germany DA - 14.03.2024 KW - Biofilm KW - Microbiome KW - Sustainability KW - Biosphere KW - Microplastics PY - 2024 AN - OPUS4-60202 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Günzel, Stephan A1 - Mair, Georg T1 - Normung und Sicherheit im Leichtbau - Sicherheitsbetrachtungen aus Sicht der Regelsetzung am Beispiel von Behältern für den Wasserstofftransport N2 - Es werden Methoden, Betrachtungen und Bewertungen der Sicherheit aus Sicht der Regelsetzung am Beispiel von Behältern für den Wasserstofftransport vorgestellt. T2 - 18. Cottbuser Leichtbauworkshop CY - Cottbus, Germany DA - 14.03.2024 KW - Sicherheit KW - Wasserstoff KW - Gefahrgut KW - Bewertung KW - Druckgefäß PY - 2024 AN - OPUS4-59697 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Lecompagnon, Julien T1 - Nondestructive defect characterization using full-frame spatially structured super resolution laser thermography N2 - Die laserbasierte aktive thermografische Prüfung als berührungslose Methode der zerstörungsfreien Werkstoffprüfung (NDT) basiert auf der aktiven Erwärmung des Testobjekts (OuT) und Messung des resultierenden Temperaturanstiegs mit einer Infrarotkamera. Dadurch bedingt können systematische Abweichungen vom vorhergesagten Erwärmungsverhalten Aufschluss über dessen innere Struktur geben. Jedoch ist das Auflösungsvermögen für innenliegende Defekte durch die diffusive Natur der Wärmeleitung in Festkörpern begrenzt. Thermografische Super-Resolution (SR)-Methoden zielen darauf ab, diese Limitation durch die Kombination mehrerer Messungen mit jeweils unterschiedlicher strukturierter Erwärmung und mathematischer Optimierungsmethoden zu überwinden. Zur Rekonstruktion innerer Defekte mithilfe thermografischer SR-Rekonstruktionsmethodik wird für die Gesamtheit mehrerer Messungen ein schlecht gestelltes und stark regularisiertes inverses mathematisches Problem gelöst, was in einer dünnbesetzten Karte der internen Defektstruktur des OuTs resultiert. Der vorliegende Vortrag gibt einen Überblick über die geleisteten Arbeiten in diesem Gebiet im Rahmen der hier mit dem Wissenschaftspreis der DGZfP 2024 prämierten Arbeit. T2 - Jahrestagung der Deutschen Gesellschaft für Zerstörungsfreie Prüfung (DGZfP) 2024 CY - Osnabrück, Germany DA - 06.05.2024 KW - Thermografie KW - Laser KW - ZfP KW - Super-Resolution KW - DLP KW - DMD PY - 2024 AN - OPUS4-60007 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - George, Janine T1 - New Opportunities for Data-Driven Chemistry and Materials Science Through Automation N2 - In recent years, many protocols in computational materials science have been automated and made available within software packages (primarily Python-based). This ranges from the automation of simple heuristics (oxidation states, coordination environments) to the automation of protocols, including multiple DFT and post-processing tools such as (an)harmonic phonon computations or bonding analysis. Such developments also shorten the time frames of projects after such developments have been made available and open new possibilities. For example, we can now easily make data-driven tests of well-known rules and heuristics or develop quantum chemistry-based materials descriptors for machine learning approaches. These tests and descriptors can have applications related to magnetic ground state predictions of materials relevant for spintronic applications or for predicting thermal properties relevant for thermal management in electronics. Combining high-throughput ab initio computations with fitting, fine-tuning machine learning models and predictions of such models within complex workflows is also possible and promises further acceleration in the field. In this talk, I will show our latest efforts to link automation with data-driven chemistry and materials science. T2 - MRS Spring CY - Seattle, Washington, USA DA - 21.04.2024 KW - Automation KW - Workflows KW - Chemical Bonding KW - Thermal Properties KW - Materials Design PY - 2024 AN - OPUS4-59982 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kromm, Arne T1 - Möglichkeiten zur Optimierung von schweißbedingten Beanspruchungen durch Einsatz von LTT-Zusatzwerkstoffen N2 - Der Vortrag gibt einen Überblick zum Thema Low Transformation Temperature (LTT) Zusatzwerkstoffe. Es wird gezeigt, wie mit einem Experiment unter Nutzung von Sychrotronstrahlung das Phänomen der Umwandlungsplastizität untersucht werden kann. T2 - 12. Vollversammlung des SFB 1120: Summer School 2024 CY - Steinfeld (Kall), Germany DA - 11.06.2024 KW - Eigenspannungen KW - LTT-Zusatzwerkstoffe KW - Hochfester Stahl PY - 2024 AN - OPUS4-60259 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ermilova, Elena A1 - Weise, Matthias A1 - Hertwig, Andreas T1 - Multi-scale optical imaging methods for quality control of electronic devices N2 - The presentation demonstrates an application of multi-scale optical imaging methods such as spectroscopic imaging ellipsometry and white light interference microscopy for the investigation of wide-bandgap semiconductors for power electronics. The capabilities of these methods for the development of new reference calibration samples for scanning microwave microscopes (SMM) and conductive atomic force microscopes (C AFM) are discussed. T2 - Photonics Days Berlin Brandenburg 2023 CY - Berlin, Germany DA - 09.10.2023 KW - Imaging ellipsometry KW - White light interference microscopy KW - Power electronics KW - Reference standards KW - Metrology KW - Nanoelectronics PY - 2023 AN - OPUS4-59838 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Neumann, Patrick P. A1 - Lohrke, Heiko T1 - Mobile Sensorik zur Bestimmung der lokalen Gasverteilung (CH4) N2 - Ziel des FuE-Vorhabens ist die Entwicklung, Aufbau und Validierung eines gasto-mographischen Messsystems basierend auf stationärer und mobiler Sensorik zum Emissionsmonitoring in kommunalen Kläranlagen. Die Gastomographie basiert hierbei im Wesentlichen auf, aus unterschiedlichen Sichtwinkeln aufgenommenen, integralen Konzentrationsmessungen, anhand derer eine Rekonstruktion der Gasverteilung erfolgt. Das FuE-Projekt kombiniert hierfür stationäre Sensornetzwerke mit luftgestützten und bodengebundenen Robotersystemen in einem System. Letztere werden mit Reflektoren und/oder Gasdetektoren ausgestattet. Hierfür werden Open-Path-Gasmesstechnik basierend auf Tunable Diode Laser Ab-sorption Spectroscopy (TDLAS, primär CH4 in ppm·m) und In-situ-Gassensorik (CH4, ppm) auf Basis von z.B. Infrarot eingesetzt. Dies sind zwei komplementäre Methoden der Gasmessung: Die In-situ-Gassensorik ermöglicht Punktmessungen, wohingegen TDLAS-Sensoren Gaskonzentrationen integral über offene Messstre-cken von bis zu 60 m gegen Oberflächen messen. Die In-situ-Gassensorik wird für Referenzmessungen und ggf. zur Erhöhung der Rekonstruktionsqualität zum Ein-satz kommen. Die wesentlichen Neuheiten des Projekts sind: • 2D-Gastomographie auf Basis eines mit TDLAS-basierter Open-Path-Gasmesstechnik und Reflektoren ausgestatteten heterogenen Messsystems. • CT-basierte Rekonstruktionsalgorithmen, adaptiert an die komplexen Rahmenbedingungen. • Validierung des Messsystems anhand realer Messungen auf Kläranlagen. T2 - Zero Emission? Beiträge der Abwasserbeseitigung zur Reduzierung der CO2e-Emission CY - Online meeting DA - 16.04.2024 KW - Mobile Robotic Olfaction KW - Gastomographie KW - Mobile Sensorik KW - Tunable Diode Laser Absorption Spectroscopy PY - 2024 AN - OPUS4-59872 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Altmann, Korinna T1 - Mikroplastik Detektion mit Thermoanalytischen Methoden: Analytik, Referenzmaterial, Ringversuche N2 - Ich dem Vortrag geht es um die Vorstellung von thermoanalytischen Methoden für die Mikroplastik-Detektion. Verschiedene Kopplungsmöglichkeiten werden gezeigt und die Funktionsweise der TED-GC/MS wird erklärt. Im zweiten Teil werden Referenzmaterialien für die Mikroplastik-Analytik diskutiert. PET -Tabletten des PlasticTrace Projektes werden vorgestellt. Am Ende wird der VAMAS Ringversuch zur Mikroplastik-Detektion gezeigt. T2 - Plastik, Mikroplastik, Nanopartikel, PFAS und Verunreinigungen (Agilent Workshop) CY - Hamburg, Germany DA - 28.05.2024 KW - Mikroplastik KW - TED-GC/MS KW - Polymer 3R KW - Ringversuche KW - Referenzmaterial PY - 2024 AN - OPUS4-60155 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Luminescent multifunctional nanostructures for sensing and theranostics applications N2 - An overview of the work carried out at LEMAF - Laboratory of Spectroscopy of Functional Materials at IFSC/USP was given. The work presented focus on the design, production and functional characterization of multifunctional nanoparticles. T2 - NANOANDES - Latin American School on Nanomaterials and Appllications CY - Araraquara, SP, Brazil DA - 10.10.2023 KW - Multifunctional nanoparticles KW - Upconversion nanoparticles KW - Quantum dots KW - Noble metal nanoparticles PY - 2023 AN - OPUS4-60363 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Luminescent multifunctional nanostructures for sensing and theranostics applications N2 - The research carried out at the Laboratory of Spectroscopy of Functional Materials at IFSC/USP, in Brazil, is focused on the synthesis and structural-property correlation of luminescent materials including rare-earth (RE) doped glasses, ceramics and hybrid host-guest materials. For the past five years, we have been particularly interested in the development of single- and multifunctional nanosystems based on core-shell upconversion nanoparticles (UCNP) associated with dyes, organometallic complexes and other organic molecules, for biophotonic and sensing applications. In these systems, we take advantage of energy transfer between the UCNPs and the molecules to either supress or enhance luminescent response. Examples include the possibility of bioimaging and photodynamic therapy of bacteria and cancer cells, simultaneous magnetothermia and thermometry, localized O2 sensing, fast detection and quantification of biological markers (e.g. kidney disease) and microorganisms. On what concerns the development of luminescent sensors - a recently started project, our aim is to develop paper-based platforms for point-of-care devices. In this presentation, an overview of our contributions for the past years and our future aims will be presented with several examples. T2 - ICL2023 - 20th International Conference on Luminescence CY - Paris, France DA - 27.08.2023 KW - Upconversion KW - Sensing KW - Theranostics KW - Nanoparticles KW - Photodynamic therapy PY - 2023 AN - OPUS4-60362 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Zocca, Andrea A1 - Mühler, T. A1 - Günster, Jens T1 - LSD-print: a 10-years journey of an additive manufacturing technology from porcelain to technical ceramics N2 - Motivated by the aim of developing an additive manufacturing (AM) technology easily integrated in the process chains of the ceramic industry, the LSD-print technology was conceived as a slurry-based variation of binder jetting (BJ). BJ and other powder bed technologies (such as powder bed fusion) are amongst the most successful AM techniques, especially for metals and polymers, thanks to their high productivity and scalability. The possibility to use commercially available feedstocks (in the form of powders or granules) makes BJ also attractive for ceramic materials. The application of these techniques to most advanced ceramics has however been difficult so far, because of the limitations in depositing homogeneous layers with fine, typically poorly flowable powders. In this context, the "layerwise slurry deposition" (LSD) was proposed at TU Clausthal (Germany) as a slurry-based deposition of ceramic layers by means of a doctor blade. Combined with layer-by-layer laser sintering of the material, the LSD process was originally demonstrated for the rapid prototyping of silicate ceramics. Due to the difficulties in controlling the microstructure and the defect formation in laser-sintered technical ceramics, the LSD process was later combined with inkjet printing in the LSD-print technology, which has been further developed at BAM (Germany) in the past decade. The LSD-print technology combines the high speed of inkjet printing, typical of BJ, with the possibility of producing a variety of high-quality ceramics with properties comparable to those achieved by traditional processing. Due to the mechanical stability of the powder bed, the process can also be carried out with continuous layer deposition on a rotating platform, which further increases its productivity. This presentation will delve into 10 years of research on the LSD-print of a wide variety of technical ceramics including alumina, silicon carbides and dental ceramics. The discussion highlights how a seemingly small process and feedstock modification (from powders to slurries) has great influence on the challenges and potential of this process, which are being addressed on its path to industrialization. T2 - young Ceramists Additive Manufacturing Forum (yCAM) 2024 CY - Tampere, Finland DA - 06.05.2024 KW - Additive Manufacturing KW - Ceramic KW - Layerwise slurry deposition KW - Slurry KW - LSD-print PY - 2024 AN - OPUS4-60056 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Lecompagnon, Julien T1 - Lasers: A versatile Heat Source for Modern Active Thermographic Testing N2 - The properties of laser radiation result in a wide range of applications, making laser technologies indispensable in areas such as industry, science and medicine. The possible areas of application for thermography in this context are just as diverse. Thermography is used in laser applications when permanent monitoring and control of thermal development is necessary. Among others, this is the case in additive manufacturing, laser-based measuring devices and non-destructive testing. Furthermore, thermography is ideally suited as a testing method when it comes to ensuring the quality of the laser itself. In this talk it is outlined, how lasers can be used as a heat source in active thermographic testing. Furthermore, two special variants (spatial & temporal structured heating) are described, for which lasers are highly suitable. T2 - Webinar: Laser Technologies Benefiting from Infrared Thermography CY - Online meeting DA - 24.04.2024 KW - Thermography KW - Laser KW - NDT PY - 2024 UR - https://www.infratec.eu/press/press-releases/details/2024-03-04-laser-technologies-benefiting-from-infrared-thermography/ AN - OPUS4-59934 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schröder, Jakob A1 - Evans, Alexander A1 - Luzin, V. A1 - Čapek, J. A1 - Polatidis, E. A1 - Bruno, Giovanni T1 - Laser Powder Bed Fusion: Fundamentals of Diffraction-Based Residual Stress Determination N2 - The general term additive manufacturing (AM) encompasses processes that enable the production of parts in a single manufacturing step. Among these, laser powder bed fusion (PBF-LB) is one of the most commonly used to produce metal components. In essence, a laser locally melts powder particles in a powder bed layer-by-layer to incrementally build a part. As a result, this process offers immense manufacturing flexibility and superior geometric design capabilities compared to conventional processes. However, these advantages come at a cost: the localized processing inevitably induces large thermal gradients, resulting in the formation of large thermal stress during manufacturing. In the best case, residual stress remains in the final parts produced as a footprint of this thermal stress. Since residual stress is well known to exacerbate the structural integrity of components, their assessment is important in two respects. First, to optimize process parameter to minimize residual stress magnitudes. Second, to study their effect on the structural integrity of components (e.g., validation of numerical models). Therefore, a reliable experimental assessment of residual stress is an important factor for the successful application of PBF-LB. In this context, diffraction-based techniques allow the non-destructive characterization of the residual stress. In essence, lattice strain is calculated from interplanar distances by application of Braggs law. From the known lattice strain, macroscopic stress can be determined using Hooke’s law. To allow the accurate assessment of the residual stress distribution by such methods, a couple of challenges in regard of the characteristic PBF-LB microstructures need to be overcome. This presentation highlights some of the challenges regarding the accurate assessment of residual stress in PBF-LB on the example of the Nickel-based alloy Inconel 718. The most significant influencing factors are the use of the correct diffraction elastic constants, the choice of the stress-free reference, and the consideration of the crystallographic texture. Further, it is shown that laboratory X-ray diffraction methods characterizing residual stress at the surface are biased by the inherent surface roughness. Overall, the impact of the characteristic microstructure is most significant for the selection of the correct diffraction elastic constants. In view of the localized melting and solidification, no significant gradients of the stress-free reference are observed, even though the cell-like solidification sub-structure is known to be heterogeneous on the micro-scale. T2 - 4th Symposium on Materials and Additive Manufacturing CY - Berlin, Germany DA - 12.06.2024 KW - Additive Manufacturing KW - Residual Stress KW - Electron Backscatter Diffraction KW - Laser Powder Bed Fusion PY - 2024 AN - OPUS4-60294 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard A1 - Hörmann, Anja A1 - Moradi, Melika A1 - Smales, Glen Jacob A1 - Breßler, Ingo A1 - Moeez, Abdul T1 - Laboratory x-ray scattering instruments as agile test-beds towards holistic experimentation N2 - Laboratory sources offer a unique advantage compared to synchrotron sources, largely in terms of freedom of operation. This freedom from user obligations, technology and software stacks and legacy decisions make the laboratory a very flexible place to develop and explore new ideas. The unparalleled availability furthermore allows for iterative improvement of instrumentation, sample environments and measurement methodologies to maximise the quality of the data obtained. This talk will highlight the use of the laboratory as an agile test-bed and development space, by giving examples of some complete and incomplete investigations undertaken in our laboratory over the last years. Furthermore, it will introduce the concept of holistic experimentation, where the laboratory provides broad-ranging support for materials science investigations. This means that we assist in the experimental preparation, perform the measurements, correction and analysis, and follow-up with assistance in interpretation of our analyses in light of the results from other techniques applied to the investigation. T2 - Invited talk at Diamond Light Source CY - Didcot, UK DA - 22.05.2024 KW - X-ray scattering KW - Methodology development KW - Laboratory management KW - Holistic experimentation KW - Laboratory automation KW - Nanostructural analysis PY - 2024 AN - OPUS4-60582 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Abad Andrade, Carlos Enrique A1 - Winckelmann, Alexander A1 - Morcillo, Dalia A1 - Jegieka, Dennis A1 - Vogl, Jochen A1 - Florek, S. A1 - Recknagel, Sebastian T1 - Isotope analysis through the integration of chemometrics into optical spectroscopy N2 - Lithium (Li), Boron (B), Nitrogen (N), Magnesium (Mg), and Calcium (Ca) are pivotal elements across various spheres such as the hydrosphere, biosphere, and lithosphere, significantly impacting (bio-) geochemical and physiological processes. These elements exhibit stable isotopes with substantial roles in geological, environmental, and biological studies. The traditional method for measuring isotope amount ratios has been through mass spectrometry, which, despite its accuracy, comes with high operational costs, the need for skilled operators, and time-consuming sample preparation processes. Combining optical spectroscopy with chemometrics introduces an innovative, cost-effective approach by the hand of high-resolution continuum source atomic and molecular absorption spectrometry (HR-CS-AAS and HR-CS-MAS) for the analysis of isotope ratios in Li, B, N, Mg, and Ca. By analyzing the atomic or molecular absorption spectrum of the in-situ generated cloud of atoms of diatomic molecules (e.g., Li, BH, NO, MgF, CaF) during the electronic transition from the fundamental state, this method allows for the rapid determination of isotope ratios directly from sample solutions without the need for complex sample preparation. For each element, the respective atomic or molecule's absorption spectrum was deconvoluted into its isotopic components using partial least squares regression or machine learning algorithms. Robust calibration models were developed, calibrated with enriched isotope, and validated against certified reference materials. Spectral data underwent preprocessing to optimize the modeling to determine the optimal number of latent variables. The findings showcase that this optical spectrometric method yields results that agree with those obtained via inductively coupled plasma mass spectrometry (ICP-MS), offering a promising, cost-effective, and rapid alternative for isotope analysis with precisions as low as ± 0.2‰. This approach is a significant advancement in analytical chemistry, providing a new way to study isotope variations in biological, environmental, and geological samples. T2 - Analytica Conference CY - Munich, Germany DA - 09.04.2024 KW - Isotopes KW - HR-CS-MAS KW - Chemometrics KW - Lithium KW - Boron KW - Magnesium KW - Nitrogen PY - 2024 AN - OPUS4-59946 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 -