TY - CONF A1 - Waurischk, Tina A1 - Müller, Ralf A1 - Reinsch, Stefan A1 - de Camargo, Andrea Simone Stucchi A1 - Contreras, A. A1 - Niebergall, R. A1 - Schottner, G. A1 - Kilo, M. A1 - Diegeler, A. A1 - Kempf, S. A1 - Puppe, F. A1 - Gogula, S. A1 - Bornhöft, H. A1 - Deubener, J. A1 - Limbach, R. A1 - Pan, Z. A1 - Wondraczek, L. A1 - Arendt, F. A1 - Chen, Y.-F. A1 - Sierka, M. T1 - GlasDigital - Datengetriebener Workflow für die beschleunigte Glasentwicklung N2 - Im Projekt GlasDigital sollen digitale Werkzeuge für die Hochdurchsatzentwicklung neuartiger Glaswerkstoffe erarbeitet werden. Dies soll durch die Kombination robotischer Syntheseverfahren mit selbstlernenden Maschinen und ihre Einbindung in eine Ontologie-basierte digitale Infrastruktur realisiert werden. T2 - 4. Fachsymposium der Fachgruppe Glasapparatebauer CY - Mitterteich, Germany DA - 13.06.2024 KW - Glas KW - Ontology KW - Data Space KW - Simulation KW - Workflow KW - Robotische Schmelzanlage PY - 2024 AN - OPUS4-60388 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Waurischk, Tina A1 - Müller, Ralf A1 - Reinsch, Stefan A1 - de Camargo, Andrea Simone Stucchi A1 - Contreras, A. A1 - Niebergall, R. A1 - Schottner, G. A1 - Kilo, M. A1 - Diegeler, A. A1 - Kempf, S. A1 - Puppe, F. A1 - Arendt, F. A1 - Chen, Y.-F. A1 - Sierka, M. A1 - Limbach, R. A1 - Pan, Z. A1 - Wondraczek, L. A1 - Gogula, S. A1 - Bornhöft, H. A1 - Deubener, J. T1 - Digital infrastructure for accelerated glass development N2 - Glasses stand out by their wide and continuously tunable chemical composition and large variety of unique shaping techniques making them a key component of modern high technologies. Glass development, however, is still often too cost-, time- and energy-intensive. The use of robotic melting systems embedded in an ontology-based digital environment is intended to overcome these problems in future. For this purpose, a robotic high throughput glass melting system is equipped with novel inline sensors for process monitoring, machine learning (ML)-based, adaptive algorithms for process monitoring and optimization, novel tools for high throughput glass analysis and ML-based algorithms for glass design. This includes software tools for data mining as well as property and process modelling. The presentation provides an overview of how all these tools merge into a digital infrastructure and illustrates their usability using examples. All infrastructural parts were developed by a consortium consisting of the Fraunhofer ISC in Würzburg, the Friedrich-Schiller-University Jena (OSIM), the Clausthal University of Technology (INW) and the Federal Institute for Materials Research and Testing (BAM, Division Glasses) as part of a joint project of the German research initiative MaterialDigital. T2 - 97. Glass-Technology Conference CY - Aachen, Germany DA - 27.05.2024 KW - Glass KW - Robotic melting KW - Ontologie KW - Simulation KW - Workflow KW - Data Space KW - Digital Twin PY - 2024 AN - OPUS4-60387 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 sought by NMR, EPR & PL N2 - As the development of optimized glass compositions by traditional trial-and-error methods is laborious, expensive, and time consuming, it is desirable to gather fundamental understanding of structure and to develop structure-property relation models, which allow best and faster choices. 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 vibrational environment and the chemical nature of the bonds in the first coordination sphere of the ions can be tailored, to some extent, based on structural information given by magnetic resonance (NMR and EPR) techniques associated to Raman and photophysical characterization. For the past 5 years, one of the interests of my research group at the University of São Paulo, in Brazil, 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 improved 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 F, 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 i.e, 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 in the vibronic band of Eu3+ and significant increase in the 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 highest sensitivity of radiation sensor detectors. The aim of the presentation is to show how powerful the combination of NMR, EPR, Raman and PLE spectroscopies can be to provide structural information and to present the perspectives for their introduction in the research agenda of Division 5.6 – Glass, which I now lead, at the Federal Institute for Materials Research and Testing (BAM) in Berlin, Germany. T2 - GOMD 2024 - Glass and Optical Division Meeting, ACerS CY - Las Vegas, NV, USA DA - 19.05.2024 KW - Glass Digital KW - Glasses KW - Robotic melting PY - 2024 AN - OPUS4-60357 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 - Bayerlein, Bernd T1 - Platform MaterialDigital Core Ontology (PMDco): A Community Driven Mid-Level Ontology in the MSE Domain 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. 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 - Patents4Science CY - Berlin, Germany DA - 05.10.2023 KW - Knowledge Representation KW - Semantic Interoperability KW - FAIR data management KW - Knowledge graph and ontologies KW - PMD Core Ontology PY - 2023 AN - OPUS4-58507 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Reinsch, Stefan A1 - Müller, Ralf T1 - Orientierte Oberflächenkristallisation in Gläsern N2 - Bislang wird das Phänomen der orientierten Oberflächenkristallisation kontrovers diskutiert und entsprechende Studien beschränken sich auf nur wenige Gläser. Für Silikatgläser haben wir eine gute Korrelation zwischen der berechneten Oberflächenenergie von Kristallflächen und der orientierten Oberflächenkeimbildung gefunden. Die Oberflächenenergien wurden unter der Annahme abgeschätzt, dass die Kristalloberflächen bei der Keimbildung den Kristallebenen mit minimaler Energie entsprechen, denen ein Riss beim Bruch folgt. Dieses Konzept wurde am Institut für Physik in Rennes erfolgreich bei der Berechnung der Bruchflächenenergien von Gläsern angewandt. Mehrere orientierte Keimbildungsphänomene lassen sich dadurch erklären, dass man annimmt, dass Kristalloberflächen mit hoher Energie dazu neigen, von der Schmelze benetzt zu werden. Dies minimiert die gesamte Grenzflächenenergie des Keims. Darüber hinaus werden wir die Entwicklung der Mikrostruktur beim weiteren Kristallwachstum und ihre Auswirkungen auf die bevorzugte Kristallorientierung diskutieren. T2 - 21. Treffen des DGG-DKG Arbeitskreises „Glasig-kristalline Multifunktionswerkstoffe“ CY - Mainz, Germany DA - 22.02.2024 KW - Oberflächenkeimbildung KW - Kristallorientierung KW - Grenzflächenenergie PY - 2024 AN - OPUS4-60237 LA - mul AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hertwig, Andreas A1 - Ermilova, Elena A1 - Hülagü, Deniz T1 - Determining Material Properties with Spectroscopic Ellipsometry N2 - In this lecture, an introduction will be given on Spectroscopic Ellipsometry, what quantities can be obtained with it, and how we use it in ELENA and other projects to determine functional parameters of thin layers at the nanoscale. T2 - Summer school ELENAM : metrology at the nanoscale CY - Fréjus, France DA - 02.06.2024 KW - Thin Layers KW - Ellipsometry KW - Nanotechnology KW - Electrical Paramters PY - 2024 AN - OPUS4-60247 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mohr, Gunther T1 - Repräsentative Prüfkörper – Ein Beitrag zur Komponentensicherheit beim pulverbettbasierten Laserstrahlschmelzen (PBF-LB/M) N2 - Die thermische Historie beim additiven Aufbau von komplexen Realkomponenten und geometrisch primitiven Prüfkörpern unterscheidet sich signifikant. Daraus können Eigenschaftsunterschiede resultieren, die zu unterschiedlichem Materialverhalten führen können. In diesem Vortrag wird das Konzept repräsentativer Probekörper eingeführt, das eine Übertragung thermischer Historien von komplexen Geometrien auf einfache Geometrien ermöglicht und hierdurch zu einer besseren Vergleichbarkeit der Werkstoffeigenschaften führen soll. T2 - Schweißen - Österreichs Fachmesse für Füge-, Trenn- und Beschichtungstechnik CY - Wels, Austria DA - 23.04.2024 KW - Additive manufacturing KW - Thermal history KW - Laboratory specimens KW - In situ monitoring KW - Representative specimens PY - 2024 AN - OPUS4-60261 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mohr, Gunther T1 - Towards component safety in laser powder bed fusion of metals N2 - The thermal history during additive manufacturing of complex components differs significantly from the thermal history of geometrically primitive test specimens. This can result in differences in properties that can lead to different material behavior. In this talk, the concept of representative test specimens is introduced, which enables the transfer of thermal histories from complex geometries to simple geometries, which can lead to better comparability of material properties. T2 - Additive Alliance CY - Hamburg, Germany DA - 05.03.2024 KW - Additive manufacturing KW - Heat accumulation KW - Laboratory specimens KW - In situ monitoring KW - Representative specimens KW - Thermal history PY - 2024 AN - OPUS4-60263 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 - 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 - 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 - 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 - Galleani, Gustavo A1 - Lodi, Thiago A1 - Merízio, Leonnam A1 - de Jesus, Vinícius A1 - de Camargo, Andrea Simone Stucchi T1 - Scintillators, persistent luminescent and white light emitters: Progresses on UV and X-ray converting glasses and composites N2 - Recently, detection and conversion of high energy radiation such as ultraviolet and X-rays has gained renewed attention. In part, technological applications in radioimaging and tomography have developed considerably as to allow lower dosages and higher resolutions, which require optimized scintillators and dosimeters. On the other hand, the increasing effort to reduce carbon footprint in energy production has triggered an intensive search for materials that can be excited with sunlight, ranging from photocatalysts to solar concentrators. At LEMAF – Laboratory of Spectroscopy of Functional Materials at IFSC/USP, we have been developing bulk glasses, polycrystalline and composite materials designed to target both challenges and, in this work an overview of recent progresses and of the state of art of these materials will be given. For instance, the few available comercial scintillators are crystalline materials with costly and time consuming growth which hinders the development of new compositions. Glasses and glass ceramics, such as the NaPGaW composition developed in our lab, present high density, very good optical properties and high chemical stability which allow them radioluminescent response when doped with low concentrations of Ce3+, Eu3+ and Tb3+ offering a promise as alternatives to crystal scintillators. On the other hand, phosphor in glass (PiG) composites based on the persistent luminescent polycrystalline material Sr2MgSi2O7:Eu2+,Dy3+ (SMSO) embedded into NaPGa glasses offer interesting perspectives for the of UV light into visible, useful for white light generation (lighting), improved harvesting and conversion of solar light when coupled to c-Si PV cells and photocatalysis. These and other examples will be discussed. The glasses are prepared through the conventional melt quenching technique, followed by controlled heating when glass ceramics are desired. The persistent luminescent phosphor is prepared by the microwave assisted technique (MAS) much faster and with considerable energy consumption reduction than in the usual solid state synthesis. The materials are characterized from the structural, morphological and spectroscopic (optical – UV-Vis, PL, PLE, and structural – NMR, EPR) points of view such that structure-property correlations are constantly sought to feedback synthesis and processing. Fig. 1, illustrates two examples of scintillator glasses doped with Tb3+ and PiG composites doped with Eu2+ and Dy3+. T2 - 11th International Conference on f Elements (ICFE-11) CY - Strasbourg, France DA - 22.08.2023 KW - Scintillators KW - Persistent luminescence KW - White light emitters PY - 2023 AN - OPUS4-60361 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 - 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 - de Camargo, Andrea Simone Stucchi 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 - Loose, Florian T1 - Forschungsprojekt CF Pyro: Sichere Nutzung von Carbonfasern als Sekundärrohstoff in der Pyrometallurgie N2 - Obwohl der Leichtbau mit carbonfaserverstärkten Kunststoffen (CFK) einen wichtigen Beitrag zum Klimaschutz und zur Ressourceneffizienz liefert, stellt der wachsende Abfallstrom von aktuell 62 kt/a eine große Herausforderung dar. Weil die Produktion von Carbonfasern (CF) überwiegend auf fossilen Rohstoffen basiert und sehr energieintensiv ist, werden nachhaltige Recyclinglösungen dringend benötigt. Hier wird ein Überblick über aktuelle Recyclingprozesse gegeben und deren Limitierungen diskutiert. Darüber hinaus wird eine Möglichkeit zur sicheren chemischen Nutzung von CF-haltigen Reststoffen aufgezeigt, die nicht zur Wiederverwertung geeignet sind. Das Projekt CF Pyro untersucht deren Einsatz als Sekundärrohstoff in der Pyrometallurgie und setzt besondere Schwerpunkte bei der Reaktivität von CF, der Prozessstabilität und der Vermeidung von Emissionen gesundheitsschädlicher WHO-Fasern. Abschließend wird eine, auf den experimentellen Ergebnissen und im Dialog mit Expertinnen und Experten aus Wirtschaft, Wissenschaft und Politik entwickelten, Technologiebewertung vorgestellt. T2 - BMUV Behördenklausur 2024 CY - Berlin, Germany DA - 03.07.2024 KW - Leichtbau KW - Carbonfasern KW - Recycling KW - CFK PY - 2024 AN - OPUS4-60570 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - George, Janine T1 - Data-driven chemical understanding with bonding analysis N2 - Bonds and local atomic environments are crucial descriptors of material properties. They have been used to create design rules and heuristics and as features in machine learning of materials properties. Implementations and algorithms (e.g., ChemEnv and LobsterEnv) for identifying local atomic environments based on geometrical characteristics and quantum-chemical bonding analysis are nowadays available. Fully automatic workflows and analysis tools have been developed to use quantum-chemical bonding analysis on a large scale. The lecture will demonstrate how our tools, that assess local atomic environments and perform automatic bonding analysis, help to develop new machine learning models and a new intuitive understanding of materials.[5,6] Furthermore, the general trend toward automation in density functional-based materials science and some of our recent contributions will be discussed. T2 - Seminar of the Department of Chemistry at Imperial College London CY - Online meeting DA - 20.02.2024 KW - Automation KW - Magnetism KW - Bonding Analysis KW - Machine Learning PY - 2024 AN - OPUS4-59546 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radnik, Jörg A1 - Favre, G. T1 - How to expand the use of your test method? Validation is key towards standardisation N2 - Standardised methods need validation. The main validation parameters like trueness, repeatability and intermediate precision and reproducibility are presented. Furthermore, different methods for the validation are disussed: (certified) reference materials, representative testing materials and interlaboratory comparisons. At last, the need of proficiency testing is stressed. T2 - Materials Week 2024 CY - Limassol, Cyprus DA - 17.06.2024 KW - Validation KW - Reproducibility crisis KW - Metrological traceability KW - Measurement uncertainty PY - 2024 AN - OPUS4-60536 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -