TY - JOUR A1 - Bayerlein, Bernd A1 - Hanke, T. A1 - Muth, Thilo A1 - Riedel, Jens A1 - Schilling, Markus A1 - Schweizer, C. A1 - Skrotzki, Birgit A1 - Todor, A. A1 - Moreno Torres, Benjami A1 - Unger, Jörg F. A1 - Völker, Christoph A1 - Olbricht, Jürgen T1 - A Perspective on Digital Knowledge Representation in Materials Science and Engineering N2 - The amount of data generated worldwide is constantly increasing. These data come from a wide variety of sources and systems, are processed differently, have a multitude of formats, and are stored in an untraceable and unstructured manner, predominantly in natural language in data silos. This problem can be equally applied to the heterogeneous research data from materials science and engineering. In this domain, ways and solutions are increasingly being generated to smartly link material data together with their contextual information in a uniform and well-structured manner on platforms, thus making them discoverable, retrievable, and reusable for research and industry. Ontologies play a key role in this context. They enable the sustainable representation of expert knowledge and the semantically structured filling of databases with computer-processable data triples. In this perspective article, we present the project initiative Materials-open-Laboratory (Mat-o-Lab) that aims to provide a collaborative environment for domain experts to digitize their research results and processes and make them fit for data-driven materials research and development. The overarching challenge is to generate connection points to further link data from other domains to harness the promised potential of big materials data and harvest new knowledge. KW - Data infrastructures KW - Digital representations KW - Digital workflows KW - Knowledge graphs KW - Materials informatics KW - Ontologies KW - Vocabulary providers PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-546729 DO - https://doi.org/10.1002/adem.202101176 SN - 1438-1656 SP - 1 EP - 14 PB - Wiley-VCH GmbH CY - Weinheim AN - OPUS4-54672 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Emmerling, Franziska A1 - Villajos Collado, José Antonio A1 - Maierhofer, Christiane A1 - Thiel, Erik A1 - Altenburg, Simon T1 - Already producing or still assembling? – Perspectives towards modular production and quality control in a digitized process industry N2 - The CLEAN ENERGY Flagship is an initiative designed to utilize recent game changing developments in digital, materials and manufacturing technologies to catalyze a radical paradigm shift towards clean, reliable, efficient and cost-optimal energy. Unifying and drastically accelerating radically new energy material design, processing and integration across the entire value chain addressing energy production, conversion, storage and systems. CLEAN ENERGY participants are all distinguished research organisations that each benefit from their own industry networks and contacts with regions and state-level activities and have a long history of collaborating with each other (for 10 years now under the umbrella of EERA) within a European collaborative framework. Through EERA, CLEAN ENERGY aims to become a crucial partner in the SET-Plan, supporting long-lasting approaches through its established networks and internal collaborations. T2 - Clean Energy Workshop on Autonomous Materials Development Platforms CY - Brussels, Belgium DA - 02.10.2018 KW - Digitization KW - Energy production KW - Energy storage KW - Energy systems KW - Clean energy technology PY - 2018 AN - OPUS4-46135 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Weigert, Florian A1 - Müller, A. A1 - Häusler, I. A1 - Geißler, Daniel A1 - Skroblin, D. A1 - Unger, Wolfgang A1 - Radnik, Jörg A1 - Resch-Genger, Ute T1 - Combining HR‑TEM and XPS to elucidate the core–shell structure of ultrabright CdSe/CdS semiconductor quantum dots N2 - Controlling thickness and tightness of surface passivation shells is crucial for many applications of core–shell nanoparticles (NP). Usually, to determine shell thickness, core and core/shell particle are measured individually requiring the availability of both nanoobjects. This is often not fulfilled for functional nanomaterials such as many photoluminescent semiconductor quantum dots (QD) used for bioimaging, solid state lighting, and display technologies as the core does not show the applicationrelevant functionality like a high photoluminescence (PL) quantum yield, calling for a whole nanoobject approach. By combining high-resolution transmission electron microscopy (HR-TEM) and X-ray photoelectron spectroscopy (XPS), a novel whole nanoobject approach is developed representatively for an ultrabright oleic acid-stabilized, thick shell CdSe/CdS QD with a PL quantum yield close to unity. The size of this spectroscopically assessed QD, is in the range of the information depth of usual laboratory XPS. Information on particle size and monodispersity were validated with dynamic light scattering (DLS) and small angle X-ray scattering (SAXS) and compared to data derived from optical measurements. In addition to demonstrating the potential of this novel whole nanoobject approach for determining architectures of small nanoparticles, the presented results also highlight challenges faced by different sizing and structural analysis methods and method-inherent uncertainties. KW - Photoluminescence KW - Single particle KW - Microscopy KW - Particle architecture KW - Thickness KW - SAXS KW - Shell KW - XPS KW - TEM KW - Semiconductor KW - Quantum dot KW - Photophysics KW - Quantum yield PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-517911 DO - https://doi.org/10.1038/s41598-020-77530-z VL - 10 IS - 1 SP - 20712 PB - Springer Nature AN - OPUS4-51791 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hoffmann, Katrin A1 - Nirmalananthan-Budau, Nithiya A1 - Wegmann, M. A1 - Resch-Genger, Ute T1 - Calibration Beads for the Characterization of the Performance of Fluorescence-based High- Throughput and Imaging devices N2 - In all fluorescence-based techniques, the measured signals contain not only sample-related but also instrument-specific contributions, which limit the direct comparison of fluorescence data obtained e.g. on different devices or at different times and often hamper quantification. To rule out instrumentation as major source of variability of emission data, accepted fluorescence standards and procedures for the control of instrument specifications and long-term performance are required. For flow cytometry (FCM), a broad variety of fluorophore-stained polymer beads differing in emission wavelength and intensity is available for the testing of the alignment, sensitivity, and other parameters of FCM. These calibration tools are intended to facilitate the assessment of instrument performance to ensure reliable measurements and to improve the comparability of FCM experiments. As a step towards an improved comparability of fluorescence data, with special emphasis on spectroscopic methods measuring nano- and micrometer-sized fluorescent objects, we are currently developing a set of fluorescent polystyrene (PS) beads loaded with luminophores from the certified BAM-Kit “Spectral fluorescent standards”, initially developed for the calibration of fluorescence spectrometers. Here, we present first results from studies of these fluorophore-loaded polymer beads. Moreover, new beads are made to supplement this kit by encapsulating near-infrared (NIR)-emissive luminophores in PS beads to cover the UV/VIS, and NIR wavelength range. These beads are designed for calibration of flow cytometers and other fluorescence imaging systems to meet the increasing demand for reliable and comparable fluorescence data especially in strongly regulated areas like e.g. medical diagnostics. T2 - 29th Annual Conference of the German Society for Cytometry CY - Berlin, Germany DA - 25.09.2019 KW - Calibration beads KW - Fluorescence KW - Performance validation KW - imaging KW - FCM PY - 2019 AN - OPUS4-49422 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - A journey in science from a graduate student in physical chemistry to head of division biophotonics N2 - I will provide a personal overview of the most important steps of my career in science, a journey from a graduate student in physical chemistry in an environment dominated by male-scientists over a postdoc with a female professor in the US to the leader of a research group, head of division Biophotonics at BAM. This will include my choices of research topics, how I learnt to write well cited publications, even on topics such as reference materials and quality assurance,1-4 and eventually started to give lectures at Free University Berlin granting me the right to act as first supervisor of undergraduate and graduate students. T2 - Women in Science CY - Erlangen, Germany DA - 22.07.2024 KW - Lanthanide KW - Nanoparticle KW - Silica KW - Quantum dot KW - Polymer KW - Surface group KW - Luminescence KW - Quantitative spectroscopy KW - Quantum yield KW - Lifetime KW - Quality assurance KW - Synthesis KW - Surface modification KW - Photophysics PY - 2024 AN - OPUS4-60724 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gornushkin, Igor B. A1 - Pignatelli, Giuseppe A1 - Straße, Anne T1 - Optical detection of defects during laser metal deposition: Simulations and experiment N2 - Laser metal deposition is a rapidly evolving method for additive manufacturing that combines high performance and simplified production routine. Quality of production depends on instrumental design and operational parameters that require constant control during the process. In this work, feasibility of using optical spectroscopy as a control method is studied via modeling and experimentally. A simplified thermal model is developed based on the time-dependent diffusion-conduction heat equation and geometrical light collection into detection optics. Intense light emitted by a laser-heated spot moving across a sample surface is collected and processed to yield the temperature and other temperature-related parameters. In a presence of surface defects the temperature field is distorted in a specific manner that depends on a shape and size of the defect. Optical signals produced by such the distorted temperature fields are simulated and verified experimentally using a 3D metal printer and a sample with artificially carved defects. Three quantities are tested as possible metrics for process monitoring: temperature, integral intensity, and correlation coefficient. The shapes of the simulated signals qualitatively agree with the experimental signals; this allows a cautious inference that optical spectroscopy is capable of detecting a defect and, possibly, predicting its character, e.g. inner or protruding. KW - Additive manufacturing KW - Laser metal deposition (LMD) KW - Thermal model KW - Optical sensor KW - Process control PY - 2021 DO - https://doi.org/10.1016/j.apsusc.2021.151214 SN - 0169-4332 VL - 570 SP - 1 EP - 13 PB - Elsevier CY - Amsterdam AN - OPUS4-53292 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. A1 - Pignatelli, Giuseppe A1 - Straße, Anne T1 - Optical Detection of Defects during Laser Metal Deposition - Simulations and Experiment N2 - Laser metal deposition is a rapidly evolving method for additive manufacturing that combines high performance and simplified production routine. Quality of production depends on instrumental design and operational parameters that require constant control during the process. In this work, feasibility of using optical spectroscopy as a control method is studied via modeling and experimentally. A simplified thermal model is developed based on the time-dependent diffusion-conduction heat equation and geometrical light collection into detection optics. Intense light emitted by a laser-heated spot moving across a sample surface is collected and processed to yield the temperature and other temperature-related parameters. In a presence of surface defects the temperature field is distorted in a specific manner that depends on a shape and size of the defect. Optical signals produced by such the distorted temperature fields are simulated and verified experimentally using a 3D metal printer and a sample with artificially carved defects. Three quantities are tested as possible metrics for process monitoring: temperature, integral intensity, and correlation coefficient. The shapes of the simulated signals qualitatively agree with the experimental signals; this allows a cautious inference that optical spectroscopy is capable of detecting a defect and, possibly, predicting its character, e.g. inner or protruding. T2 - 28th International Conference on Advanced Laser Technologies CY - Online meeting DA - 06.09.2021 KW - Additive manufacturing KW - Laser metal deposition KW - Optical sensor KW - Optical emission spectroscopy KW - Process control PY - 2021 AN - OPUS4-53246 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wilke, Olaf T1 - PTR-MS as a tool for the determination of formaldehyde, ammonia and volatile organic sulfur compounds together with VOC N2 - The use of proton-transfer-reaction mass spectrometry (PTR-MS) for the determination of formaldehyde, ammonia and volatile sulfur organic compounds is described and suggestions are made for the application of stationary PTR-MS in a test laboratory. One advantage of PTR-MS compared to TD-GC-MS (thermal desorption gas chromatography mass spectrome-try) is the faster online measurement. Another advantage is the simultaneous determination of formaldehyde, ammonia, very volatile organic compounds (VVOC) and volatile organic com-pounds (VOC) which normally needs four different kinds of sampling. Coupling the PTR-MS with (multiple) air sample canisters or (multiple) emission test chambers would enable a quick analysis of indoor air and material emissions. T2 - Indoor Air Conference 2024 CY - Honolulu, HI, USA DA - 07.07.2024 KW - Proton-transfer-reaction mass spectrometry PY - 2024 AN - OPUS4-60746 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute A1 - Tavernaro, Isabella A1 - Abram, Sarah-Luise A1 - Andresen, Elina A1 - Matiushkina, Anna T1 - Quantifying the number of total and accessible functional groups on nanomaterials N2 - Inorganic and organic functional nanomaterials (NM) of different size, shape, chemical composition, and surface chemistry are relevant for many key technologies of the 21st century. Decisive for most applications of NM are their specific surface properties, which are largely controlled by the chemical nature and number of ligands and functional groups (FG on the NM surface. The surface chemistry can strongly affect the physicochemical properties of NM, their charge, hydrophilicity/hydrophobicity, reactivity, stability, and processability and thereby their impact on the environment and biological species as well as their possible risk for human health. Thus, reliable, validated, and eventually standardized analytical methods for the characterization of NM surface chemistry, i.e., the chemical identification, quantification, and accessibility of FG and surface ligands 1,2] flanked by interlaboratory comparisons, control samples, and reference materials, 2 ,3 are of considerable importance for process and quality control of NM production and function. This is also important for the safe use of NM the design of novel NM, and sustainable concepts for NM fabrication. Here, we provide an overview of analytical methods for FG analysis and quantification and highlight method and material related challenges for selected NM. Analytical techniques address ed include electrochemical titration methods, optical assays, nuclear magnetic resonance (NMR) and vibrational (IR) spectroscopy, and X ray based and thermal analysis methods. Criteria for method classification and evaluation include the need for a signal generating label, provision of either the total or derivatizable number of FG, and suitability for process and production control. T2 - AUC - Analytical Ultracentrifugation CY - Nuremberg, Germany DA - 22.07.2024 KW - Nanoparticle KW - Particle KW - Microparticle KW - Silica KW - Quantum dot KW - Polymer KW - Surface group KW - Luminescence KW - Quality assurance KW - Synthesis KW - Surface modification KW - ILC KW - Optical assay KW - Functional group KW - Ligand KW - qNMR KW - Conductometry KW - Potentiometry KW - Standardization KW - Reference product KW - Reference material PY - 2024 AN - OPUS4-60749 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -