TY - CONF A1 - Gornushkin, Igor B. T1 - Back Deposition of Titanium Oxides under Laser Ablation of Titanium: Simulation and Experiment N2 - Titanium is widely used in medicine for implants and prostheses, thanks to its high biocompatibility, good mechanical properties, and high corrosion resistance. Pure titanium, however, has low wear resistance and may release metallic titanium into surrounding tissues. Structuring and coating its surface with oxide layers are necessary for high wear resistance and improved biocompatibility. In this work, a combination of theoretical and experimental methods was used to study processes responsible for deposition of titanium oxides during ablation of titanium in air. The deposition process was modeled via the Navier-Stokes equations that accounted for the material removal and accumulation of the deposit on the ablation surface. The chemical part was based on the equilibrium model embedded into the hydrodynamic code. Simulations showed that the most active zone of production of condensed titanium oxides were at plasma periphery whereas a zone of strong condensation of titanium metal was above the molten pool. In experiment, a pulsed Yb fiber laser was scanned across a titanium surface. The temperature and composition of the plasma were inferred from plasma emission spectra. The post-ablation surface was analyzed by SEM, TEM, STEM, AFM, and XRD. The developed model well reproduced the main features of experimental data. It was concluded that the deposition of condensed metal oxides from the plasma is a principal mechanism of formation of nanoporous oxide layer on the metal surface. The method of surface structuring and modification by nanosecond laser ablation can be developed into a useful technology that may find applications in medicine, photonics, and other areas. T2 - SciX 2022, The Federation of Analytical Chemistry and Spectroscopy Societies (FACSS) CY - Cincinnati, OH, USA DA - 02.10.2022 KW - Surface coating KW - Laser ablation KW - Plasma modeling PY - 2022 AN - OPUS4-55969 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Holstein, Tanja T1 - PepGM: A graphical model for taxonomic profiling of viral proteomes N2 - In mass spectrometry based proteomics, protein homology leads to many shared peptides within and between species. This complicates taxonomic inference. inference. We introduce PepGM, a graphical model for taxonomic profiling of viral proteomes and metaproteomic datasets. Using the graphical model, our approach computes statistically sound scores for taxa based on peptide scores from a previous database search, eliminating the need for commonly used heuristics. heuristics. T2 - European proteomics association conference 2022 CY - Leipzig, Germany DA - 03.04.2022 KW - graphical models KW - Taxonomic inference KW - Bioinformatics KW - Virus protoemics PY - 2022 AN - OPUS4-56750 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Simon, Fabian T1 - Mercury speciation in sediments of industrially impacted water bodies in Northern Germany using SSID GC/ICP-ToF-MS N2 - Sediments and soils can act as sinks of species of inorganic mercury (Hg2+), while they are simultaneously sources of organic species, such as monomethylmercury (MMHg). Although the fraction of MMHg in total Hg of sediments is suggested to be only 0.1–1%, MMHg poses a threat for humans and wildlife due to its toxic properties, high bioaccumulation potential and the ability to pass the blood-brain barrier. One example of a highly Hg contaminated waterbody is the Finow Canal, the oldest artificial waterway still in operation in Germany. Here, Hg mass fractions of up to 100 µg/g were found in the sediment in previous studies. These are suggested to be associated with a chemical plant producing mercury-based seed dressings. Despite this high mass fraction of Hg, no Hg speciation studies have been conducted there up to now. In this study, Hg speciation in sediments of Finow Canal at locations before and after the known polluted site was conducted using species-specific isotope dilution (SSID) GC-ICP-ToF-MS. Mass fractions of up to 0.41 µg/g MMHg were determined. In addition, waterbodies around the initially polluted site were investigated and elevated concentrations were also determined around 14 km downstream. For MMHg analysis, the performance of ICP-ToF-MS for SSID GC/ICP-MS was compared with ICP-Q-MS and ICP-SF-MS. Here, isotope ratio precision was similar between the tested instruments. However, the (quasi-) simultaneous detection of the whole mass spectrum will probably offer a much higher precision of ICP-ToF-MS, when more than one isotope system is used. These results are the first evidence of the occurrence of MMHg in this region and show the need for further investigations of the whole regional ecosystem, as well as the consideration of possible measures of remediation. SSID GC-ICP-(ToF)-MS is a suitable tool for investigating species-specific (multi) isotope systems for environmental monitoring. T2 - 33. Doktorandenseminar des AK Separation Science CY - Hohenroda, Germany DA - 08.01.2023 KW - Mercury KW - GC/ICP-ToF-MS KW - Isotope dilution PY - 2023 AN - OPUS4-56816 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Holstein, Tanja T1 - PepGM: A graphical model for taxonomic profiling of viral proteomes N2 - In mass spectrometry based proteomics, protein homology leads to many shared peptides within and between species. This complicates taxonomic inference. inference. We introduce PepGM, a graphical model for taxonomic profiling of viral proteomes and metaproteomic datasets. Using the graphical model, our approach computes statistically sound scores for taxa based on peptide scores from a previous database search, eliminating the need for commonly used heuristics. T2 - European bioinformatics community winter school 2022 CY - Lisbon, Portugal DA - 21.03.2022 KW - Bioinformatics KW - Virus protoemics KW - Taxonomic analysis KW - Graphical models PY - 2022 AN - OPUS4-56753 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wilsch, Gerd T1 - Laser induced breakdown spectroscopy to investigate the chemical composition of concrete N2 - Laser-induced breakdown spectroscopy (LIBS) is a spectroscopic method for detecting the chemical composition of optically accessible surfaces. In principle, the measurement of all elements of the periodic table is possible. System calibrations allow the quantification of element concentrations. In combination with scanner systems, the two-dimensional element distribution can be determined. Even rough surfaces can be measured by online adjustment of the laser focus. To detect element ingress into the concrete, typically cores are taken, cut in half, and LIBS measurements are performed on the cross-section. The high spatial resolution as well as the simultaneous multi-element analysis enables a separate evaluation of the binder-matrix and aggregates. Therefore, the element concentrations can be determined directly related to the cement paste. LIBS measurements are applicable in the laboratory, on-site and also over a distance of several meters. Common applications include the investigation of material deterioration due to the ingress of harmful ions and their interaction in porous building materials. LIBS is able to provide precise input parameters for simulation and modelling of the remaining lifetime of a structure. Besides the identification of materials, also their composition can be determined on hardened concrete, such as the type of cement or type of aggregate. This also involves the identification of environmentally hazardous elements contained in concrete. Another possible application is the detection of the composition of material flows during dismantling. Non-contact NDT for “difficult to assess” structures as an example application through safety glass or in combination with robotics and automation are also possible. This work presents the state of the art concerning LIBS investigations on concrete by showing exemplary laboratory and on-site applications. T2 - NDE NucCon 2023 CY - Espoo, Finland DA - 25.01.2023 KW - LIBS KW - Concrete PY - 2023 AN - OPUS4-57323 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogel, Christian T1 - Investigation of per and polyfluoroalkyl substances (PFAS) in soils and groundwater through fluorine K-edge XANES spectroscopy – potential for collaboration N2 - Per- and polyfluoroalkyl substances (PFAS) are a group of anionic, cationic and zwitterionic synthetic products, in which the hydrogen atoms on the carbon skeleton of at least one carbon atom have been completely replaced by fluorine atoms and which include more than 4730 compounds, depending on the definition. As a result of continuous and prolific use, mainly in aviation firefighting foams, thousands of industrial and military installations have been found to contain contaminated soil, groundwater and surface water. Furthermore, current decontamination strategies of PFAS-burdened soils mainly consist of adsorption methods using adsorbents for fixation of PFAS in the ground. Hence, there is a great demand for innovative developments and chemical treatment technologies, dealing with new strategies of tackling the PFAS problem. Thus, we investigated mechanochemical treatment of PFAS contaminated soils with various additives in a ball mill and analyzed the PFAS defluorination. In this presentation the advantages of fluorine K-edge X-ray absorption near-edge structure (XANES) spectroscopy for various environment samples are shown. T2 - SESAME-Germany Info Day CY - Hamburg, Germany DA - 21.04.2023 KW - Soil KW - Per- and Polyfluoroalkyl substances (PFAS) KW - Synchotron KW - X-ray absorption near-edge structure (XANES) spectroscopy PY - 2023 AN - OPUS4-57365 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen A1 - Irrgeher, J. T1 - IUPAC Commission on Isotopic Abundances and Atomic Weights its history, role, and work N2 - This presentation provides a short introduction to the Commission on Isotopic Abundances and Atomic Weights (CIAAW). It describes the role of the Commission and provides an insight into its work and the corresponding principal tasks. Finally, it provides the reader with the latest achievements and with the most recent publications. T2 - IUPAC Virtual General Assembly CY - Online meeting DA - 25.07.2023 KW - Absolute isotope ratio KW - Atomic weights KW - Metrology KW - Traceability KW - Isotope reference material PY - 2023 AN - OPUS4-58013 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Heimann, Jan T1 - Optimierung eines Sensornetzwerkes basierend auf geführten Wellen zur Zustandsüberwachung von Wasserstoffdruckbehältern N2 - Wasserstoff als flexibel einsetzbarer und leicht transportierbarer Energieträger bildet eine Schlüsselkomponente auf dem Weg zu einer klimaneutralen Energiewende. Zur Speicherung von gasförmigem Wasserstoff kommen bei stationären und auch mobilen Anwendungen meist Druckbehälter aus Verbundwerkstoffen zum Einsatz. Dabei ist für den Betrieb der Behälter die Gewährleistung der Sicherheit von großer Relevanz. Structural Health Monitoring (SHM) bietet einen innovativen Ansatz, um sowohl die Sicherheit als auch die Zuverlässigkeit der Druckbehälter zu gewährleisten und kritische Versagensfälle zu vermeiden. Zur kontinuierlichen Überwachung und Bewertung des Zustands eines Wasserstoffdruckbehälters wird in dem vorliegenden Beitrag eine aktive Methode präsentiert, die auf geführten Ultraschallwellen basiert. Dabei kommt das Pitch-Catch Verfahren zwischen Sender und Empfängern zur Überwachung der strukturellen Integrität zum Einsatz. Auf Grundlage des untersuchten Wellenausbreitungsverhaltens im Druckbehälter sowie der Geometrieeigenschaften wird ein Sensornetzwerk aus piezoelektrischen Flächenwandlern (PZT) zur Abdeckung des zu überwachenden Bereichs entworfen. Ziel ist es mit Hilfe eines Optimierungsalgorithmus eine größtmögliche Abdeckung bei gleichzeitiger Minimierung der Anzahl der Sensoren zu erreichen. Zudem soll eine gleichmäßige und platzsparende Verteilung im Vordergrund stehen, so dass zukünftig weitere Messmethoden auf dem Druckbehälter angewendet werden können (z. B. durch akustische oder faseroptische Sensoren). Das für die Anwendung optimierte Sensornetzwerk wird anschließend hinsichtlich der Robustheit bei der Schadenserkennung und -lokalisierung durch Aufbringen von künstlichen Schäden evaluiert. Die Ergebnisse zeigen, dass die künstlichen Schäden am Wasserstoffdruckbehälter nachgewiesen werden können. T2 - DACH-Jahrestagung CY - Friedrichshafen, Germany DA - 15.05.2023 KW - Geführte Ultraschallwellen KW - Zustandsüberwachung KW - Wasserstoffdruckbehälter KW - Sensornetzwerk KW - Structural Health Monitoring PY - 2023 AN - OPUS4-58027 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Epple, Niklas T1 - Ultrasonic monitoring of large-scale structures – input to engineering assessment N2 - Ultrasonic coda wave interferometry can detect small changes in scattering materials like concrete. We embedded ultrasonic transducers in the Gänstorbrücke Ulm, a monitored road bridge in Germany, to test the methodology. Since fall 2020, we've been monitoring parts of the bridge and comparing the results to commercial monitoring systems. We calculate signal and volumetric velocity changes using coda waves, and long-term measurements show that the influence of temperature on strains and ultrasound velocity changes can be monitored. Velocity change maps indicate that different parts of the bridge react differently to environmental temperature changes, revealing local material property differences. A load experiment with trucks allows calibration to improve detectability of possibly damaging events. Our work focuses on measurement reliability, potential use of and distinction from temperature effects, combination with complementary sensing systems, and converting measured values to information for damage and life cycle assessment. T2 - IALCCE 2023 CY - Milano, Italy DA - 02.07.2023 KW - Ultrasonic KW - Monitoring KW - Bridges KW - NDT KW - Coda PY - 2023 AN - OPUS4-58046 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Simon, Fabian T1 - HR-CS-GFMAS a versatile screening tool for PFASs in various environmental samples N2 - Per- and polyfluoroalkyl substances (PFASs) are a group of anthropogenic contaminates associated with persistent, bioaccumulative and toxic properties. Mostly, target-based approaches (e.g., LC-MS/MS) are utilized for the analysis of PFASs in the environment. Target approaches are limited to a few selected PFASs and therefore underestimate the total PFAS burden. Analytical approaches based on total fluorine for PFAS sum parameter analysis become increasingly important to indicate realistic PFAS pollution levels. Recently high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) turned out to be a sensitive and highly selective tool for fluorine determination. The method is based on the in situ formation of diatomic gallium-mono fluoride (GaF) in a graphite furnace at a temperature of 1550°C. The molecular absorption of GaF can be detected at its most sensitive wavelength at 211.248 nm providing limits of quantification in the low µg F/L range. HR-CS-GFMAS analysis can be combined with the extractable organically bound fluorine (EOF) approach whereas PFASs are extracted from liquid or solid samples using organic solvents and/or solid phase extraction (SPE). In this presentation the applicability of HR-CS-GFMAS for organic fluorine analysis in various environmental sample including (1) water samples, (2) soil samples and (3) plant samples is demonstrated. (1) We investigated EOF concentrations in water bodies in Berlin, Germany and used additional PFAS target analysis for a PFAS mass balance approach. EOF concentrations were in the expected range for an urban river system. However, downstream of an effluent discharge, the EOF increased by one order of magnitude from 40 to 574 ng F/L. Target analysis determined mostly short-chained perfluorinated carboxylic acids and sulfonic acids, which however only made up less than 10% of the EOF. This study highlights that EOF screening using HR-CS-GFMAS is useful and advantageous compared to target analysis to identify pollution sites in urban water systems. (2) For soil samples, we optimized a fast and simple PFAS extraction method for EOF determination. The developed extraction method consists of a liquid-solid extraction without any additional SPE for fluoride removal. We investigated different soil samples using the optimized method with and without an additional SPE clean-up step and revealed a drastic underestimation of EOF mass fractions using SPE. The optimized method is a valuable screening tool for fast PFAS monitoring. (3) For plant samples, we conducted a study on the uptake and fate of PFASs in bean plants. For PFAS mass balancing HR-CS-GFMAS analysis was combined with LC-MS/MS analysis. PFASs were spiked as mixtures of known and unknown composition. Short-chained PFASs were determined with high mass fractions mainly in the fruits of the investigated plants while long-chained PFASs were mainly determined in roots. Overall, both methods indicate comparable results with target analysis being more reliable for known PFAS contamination and EOF/HR-CS-GFMAS analysis being more valuable to identify PFAS exposure of unknown composition. T2 - 18th International Conference on Chemistry and the Environment (ICCE) CY - Venice, Italy DA - 11.06.2023 KW - PFAS KW - HR-CS-GFMAS KW - Fluorine KW - WWTP KW - Soil KW - Plants PY - 2023 AN - OPUS4-57700 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Chronakis, Michail Ioannis A1 - von der Au, Marcus A1 - Meermann, Björn T1 - Single cell-asymmetrical flow-field flow Fractionation-ICP-TOF-MS N2 - AF4 has been coupled to an ICP-ToF-MS and applied to the analysis of single cells. The result in an online cleaning technique that provides the multielemental profile of the sample on a single cell level. T2 - European Winter Conference on Plasma Spectrochemistry CY - Ljubljana, Slovenia DA - 29.01.2023 KW - AF4 KW - Single Cell KW - Cleaning PY - 2023 AN - OPUS4-57642 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Combined experimental and simulational approaches to access radiation damage to DNA-Protein complexes N2 - We combine irradiation experiments at DNA, proteins and their complexes with Geant4 based particle-scattering simulations to understand the degradation mechanisms on a molecular level. T2 - High performance computing workshop CY - Allan, Jordan DA - 26.06.2023 KW - DNA KW - Protein KW - Radiadion damage KW - Geant4 KW - Geant4-DNA KW - MCS KW - Particle scattering simulations KW - gold nanoparticles PY - 2023 AN - OPUS4-57645 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Konthur, Zoltán T1 - Utilizing Aspergillus niger Fumonisin Amine Oxidase for the Electrochemical Detection of Fumonisin N2 - Fumonisins are a class of toxic secondary metabolites produced by various Fusarium species. The two most important producers of fumonisins are F. verticillioides and F. proliferatum but also Aspergillus niger is known to produce fumonisins. Most frequently they occur on maize, but also other grains can be contaminated with this group of mycotoxins. Exposure to fumonisins by dietary intake can have serious health effects on farm animals and also within humans. Thus, the European Commission sets legal limits for fumonisins in feed and foodstuffs. The detection of fumonisins is frequently performed in laboratories by chromatographic methods, which are costly and require trained personnel. Simplifying the analysis is therefore a major goal using portable detection systems. Electrochemical enzymatic biosensors offer great promise to meet this demand. Here we report for the first time an enzymatic fumonisin sensing approach with amperometric detection. For this purpose, an Aspergillus niger fumonisin amine oxidase (AnFAO) catalyzing the oxidative deamination of fumonisins, producing hydrogen peroxide, was recombinantly produced in E. coli. It was found that the specific activity of AnFAO using 20 μM Fumonisin B1 as substrate is higher than for 20 μM Fumonisin B2 with 0.122 U mg-1 and 0.058 U mg-1, respectively. It was possible to show a dependence of enzyme activity with enzyme – and substrate-concentration. For fumonisin B1 detection, the enzyme was coupled covalently to magnetic particles and the enzymatically produced H2O2 was detected amperometrically in a flow injection system using Prussian blue carbon electrodes. The developed method allows to quantify fumonisin B1 concentrations down to 1.5 µM and demonstrates that the recombinantly produced AnFAO was able to deaminate different concentrations of fumonisin even in immobilized form. Thus, this enzyme is well suited to develop an enzyme based electrochemical biosensor for fumonisin contaminated food and feed. T2 - Affinity 2023 - the 25th meeting of the International Society for Molecular Recognition CY - Lisbon, Portugal DA - 05.06.2023 KW - Mycotoxin KW - Amperometry KW - Biosensor KW - Food analysis PY - 2023 N1 - Geburtsname von Riedel, Soraya: Höfs, S. - Birth name of Riedel, Soraya: Höfs, S. AN - OPUS4-57717 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Denkler, Tilman T1 - WP8 - Ensure the quality of testing processes and service offers of the OITB from quality management to training N2 - The MBLabs consortium comprises various organizations that operate testing facilities encompassing a broad spectrum of tests relevant to the construction sector, particularly building envelopes. In the future, additional testing facilities will join the METABUILDING platform to offer their services. These services will be integrated in the MBLabs Open Innovation Test Bed and accessible via the METABUILDING platform. The METABUILDING platform is operated by the METABUILDING association. In Task 8.5 the Quality Assurance system of the MBLabs OITB is developed. The presentation gives an overview regarding the development of this system after 3 years of project execution. T2 - Metabuilding Labs Review Meeting CY - Valladolid, Spain DA - 21.03.2024 KW - Quality assurance KW - Open innovation test bed PY - 2024 AN - OPUS4-59788 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Raab, A. A1 - Solovyev, N. A1 - El-Kathib, Ahmed A1 - Vogl, Jochen A1 - Costas-Rodriguez, M. T1 - Isotope signature of iron, copper and zinc in mouse models (L66 and 5XFAD) and their controls used for dementia research N2 - Introduction: The influence of copper, iron and zinc concentrations on the formation of ß-amyloid plaques and neurofibrillary tangles in Alzheimer’s disease (AD) is widely discussed in the community. The results from human and animal studies so far are mixed with some studies showing a correlation and others not. From a number of studies, it is known that disease state and isotopic composition of essential elements can be coupled. Aim: The aim of the study was to identify changes in element content and isotopic composition in two transgenic mouse models used in AD research compared to their genetic WT relatives and to establish whether element content and isotopic signature between different laboratories is comparable. Methods: ß-amyloid (5xFAD) and tau overexpressing (L66) mice together with their matching wild-types were bred at dedicated facilities in accordance with the European Communities Council Directive (63/2010/EU). Serum and brain were sampled after sacrifice and the samples distributed among the participants of the study. The tissues were acid digested for total element determination and high-precision isotope ratio determination. Element content was determined by either sector-field or quadrupole-based inductively coupled plasma mass spectrometry (ICPMS). For the determination of isotope ratios multi-collector ICPMS was used. Results: Total copper content was significantly higher for L66 and their matched WT compared to 5xFAD and WT. Brains of L66 mice contained more Fe in brain than their WT, Zn and Cu were not significantly different between L66 and WT. Whereas 5xFAD mice had a slightly lower Cu and slightly higher Zn concentration in brain compared to WT. The isotopic signature in brain of L66 mice for Fe was different from their controls, whereas Zn isotope ratios were influenced in 5xFAD mice compared to their WT . The Cu isotopic ratio did not seem to be influenced in either strain. In serum, the shifts were less pronounced. Conclusion: Even though neither Tau-protein nor amyloid precursor protein are known to be metal-dependent / -containing proteins, the overexpression of both influences the Fe, Cu and Zn metabolism in brain and to some extent also in serum as can be seen not only using total element determination but probably more clearly studying the isotopic signature of Fe, Cu and Zn. T2 - International Conference of Trace Elements and Minerals CY - Aachen, Germany DA - 05.06.2022 KW - Isotope delta value KW - Copper KW - Zinc KW - Iron KW - Dementia PY - 2022 AN - OPUS4-58230 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard T1 - Everything SAXS Part 1: Introduction, Sample Requirements and Measurement "Space" N2 - This talk for the Swiss Society for Crystallography (SSCr) workshop on SAXS will introduce scattering from various angles, focusing in particular on: - Information content of X-ray scattering experiments, three entry points… - An introduction to Fourier Transforms - Sample criteria, compatibility, and selection - Key indicators of a measurement – where is the information? - Key indicators of measurement quality - Experiment planning, the basics T2 - Topical workshop of the Swiss Society for Crystallography CY - Zurich, Switzerland DA - 08.09.2023 KW - X-ray scattering KW - Data stewardship KW - Measurement science KW - MOUSE KW - Holistic experiment approaches PY - 2023 AN - OPUS4-58235 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard T1 - Everything SAXS Part 2: Data Processing, Workflow and Pitfalls N2 - The second talk for the Swiss Society for Crystallography (SSCr) workshop on SAXS will highlight the data processing challenges, holistic experimental workflow developments, and the pitfalls. In particular, the following items will be addressed: - The importance of data processing and estimating uncertainty - A universal correction pipeline – away with the headaches, at least for this step! - Experiment planning part 2, some tips and advice to improve your corrected data. - Sample preparation, background selection, some tips and advice to improve your corrected data. - Automate for your mental well-being; electronic logbooks, measurement catalogs and workflow management software - Life on the edge: several pitfalls to avoid… T2 - Topical workshop of the Swiss Society for Crystallography CY - Zurich, Switzerland DA - 08.09.2023 KW - X-ray scattering KW - MOUSE KW - Data processing KW - Uncertainties KW - Pitfalls PY - 2023 AN - OPUS4-58236 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mishurova, Tatiana T1 - 3D X-ray Imaging and residual stress analysis of materials N2 - The focus of the presentation focus will be on 3D imaging by means of X-ray Computed Tomography (XCT) at the lab and at synchrotron, and the non-destructive residual stress (RS) characterization by diffraction of different kind of materials in FB8.5 Micro-NDT BAM. For instance, the manufacturing defects and high RS are inherent of additively manufacturing techniques and affect structural integrity of the components. Using XCT the defects size and shape distribution as well as geometrical deviations can be characterized, allowing the further optimization of the manufacturing process. Diffraction-based RS analysis methods using neutron and synchrotron X-rays at large scale facilities offer the possibility to non-destructively spatially resolve both surface and bulk RS in complex components and track their changes following applied thermal or mechanical loads. T2 - Seminar at Applied Materials Group at PSI CY - Villigen, Switzerland DA - 13.09.2023 KW - Additive manufacturing KW - Residual stress KW - X-ray computed tomography PY - 2023 AN - OPUS4-58310 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Küttenbaum, Stefan T1 - Reliability reassessment of bridges with geometrical NDT results N2 - This presentation summarizes recent developments within the scope of the national pre-standardization project “ZfPStatik”, which aims to prepare a guideline about NDT-supported structural analyses. The focus is on the purposeful and explicit utilization of geometrical tendon and reinforcement bar positions measured on-site in reliability analysis — shown by means of a prestressed concrete bridge as case study. T2 - 13th German Japanese Bridge Symposium CY - Osaka, Japan DA - 28.08.2023 KW - Existing structures KW - Probabilistic methods KW - Data-supported assessment PY - 2023 AN - OPUS4-58268 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Birkholz, H. A1 - Bayerlein, Bernd T1 - PMD Core Ontology: 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. 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 - FEMS EUROMAT 2023 CY - Frankfurt a. M., Germany DA - 03.09.2023 KW - Knowledge Representation KW - Semantic Interioerability KW - Mid-Level Ontology for MSE KW - FAIR Data Management PY - 2023 AN - OPUS4-58201 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Friedrich, Alexander T1 - Simulation of Eddy Current Rail Testing Data for Neural Networks N2 - The present work is part of the AIFRI project (Artificial Intelligence For Rail Inspection), where we and our project partners train a neural network for defect detection and classification. Our goal at BAM is to generate artificial ultrasound and eddy current training data for the A.I. This paper has an exploratory nature, where we focus on the simulation of eddy current signals for head check cracks, one of the most important rail surface defects. The goal of this paper is twofold. On the one hand, we present our general simulation setup. This includes geometric models for head check cracks with features like branching and direction change, a model for the HC10 rail testing probe, and the configuration of the Faraday simulation software. On the other hand, we use the Faraday software to simulate eddy current testing signals with a strong focus on the influence of the damage depth on the signal, while differentiating between different crack geometries. Here, we observe an early saturation effect of the test signal at a damage depth of 2 mm (at a crack angle of 25◦ to the surface). That is about 2 mm earlier than we would expect from measurements at a crack angle of 90◦. This behavior will be investigated further in a future paper. Finally, we interpolate the simulated signals in a two-step curve fitting process. With these interpolations we may generate eddy current test signals for any damage depth within the simulated range. T2 - 13th European Conference on Non-Destructive Testing 2023 CY - Lisbon, Portugal DA - 03.07.2023 KW - Simulation KW - Eddy Current KW - Artificial Intelligence PY - 2023 AN - OPUS4-58192 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Simon, Fabian T1 - Reveal the unknown: Interfacing non-target and elemental speciation analysis N2 - The combination of non-target analysis (NTA) based on HPLC-ESI-MS with elemental fluorine speciation analysis based on HPLC-PARCI-MS for the identification and quantification of (unknown) organofluorines in environmental samples is associated with several advantages e.g., reduced non-target data treatment workflow and quantification. PFASs compromise persistent, bioaccumulative, and toxic properties and are hence, environmental contaminants of emerging concern. Thus, procedures for identifying potential sources of the entrance of these compounds into the environment, identification of new organofluorine species, and closing mass balances need urgent development. The intrinsic fluorine tag appears in a sizable fraction of these and other xenobiotics, making elemental speciation desirable for quantitative NTA in these areas. Current non-target approaches based on ESI-HRMS suffer from a lack of data mining algorithms for identification of PFASs with low fluorine mass percentages. Furthermore, low ionization efficiencies of the compounds hamper detection limits. Hence, the proposed combination of simultaneous HPLC-ESI-MS and HPLC-PARCI-MS via split-stream coupling is a promising approach for environmental PFAS monitoring. Furthermore, it could serve as an important analytical procedure to set up limiting values in compliance with the desired PFAS ban of the European Union. T2 - SALSA Make and Measure 2023: Interfaces CY - Berlin, Germany DA - 13.09.2023 KW - PFAS KW - HRMS KW - PARCI-MS KW - ESI-MS PY - 2023 AN - OPUS4-58405 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Simon, Fabian T1 - Breaking the Wall of Environmental Pollutants N2 - With the continuous release of anthropogenic pollutants into the environment, substantial risks for the human health arise. Concerning are especially persistent substances (e.g., PFAS) as they accumulate in food chains which inevitably result in the transgression of negative impact threshold levels. Environmental Analytical Chemsitry interfaces all disciplines of Risk Assessment. Therefore it is the important tool to identify, monitor, and remediate environmental pollutants. Based on the example of PFAS, a workflow to tackle environmental pollutants in a retro- and pro-spective way is shown. Within the project, the worldwide situation of environmental pollutants will be illustrated for the example of PFAS. As the major discipline to confront the problem, analytical chemistry will be shown as a key tool for contesting PFAS and creating safe-by-design materials in the future. T2 - Falling Walls Lab 2023 CY - Berlin, Germany DA - 21.09.2023 KW - PFAS KW - Analytical Chemistry KW - Environmental pollutants KW - Risk assessment PY - 2023 AN - OPUS4-58406 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen T1 - Pb isotope ratio analysis N2 - The determination of Pb isotope ratios by TIMS and ICP-MS is discussed and applications from archaeology are provided. T2 - Workshop & Training "Isotope Ratio Analysis" CY - Pathum Thani, Thailand DA - 06.12.2023 KW - Isotope reference material KW - Provenance KW - Silver artefacts KW - Curse tablets PY - 2023 AN - OPUS4-59167 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen T1 - Sr isotope ratio analysis N2 - The measurment of Sr isotope ratios is described and examples from food authenticity, provenancing of cement and pietas are provided. T2 - Workshop & Training "Isotope Ratio Analysis" CY - Pathum Thani, Thailand DA - 06.12.2023 KW - Conventional isotope ratios KW - Gypsum KW - Cement KW - Cheese PY - 2023 AN - OPUS4-59168 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen T1 - Measurement Uncertainty in Isotope Ratio Measurements N2 - The importance for measurement uncertainty in isotope ratio measurements is expalined and different approaches for calculating measurement uncertainty for absolute isotope ratios, isotope deltas and conventional isotope ratios are presented. T2 - Workshop & Training "Isotope Ratio Analysis" CY - Pathum Thani, Thailand DA - 06.12.2023 KW - Isotope delta KW - Absolute isotope ratio KW - Conventional isotope ratio PY - 2023 AN - OPUS4-59169 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen T1 - Metrology in Chemistry - Basics and international structure N2 - Basics in Metrology in Chemistry are explained and the international structure of the metrology network is presented. T2 - Workshop & Training "Isotope Ratio Analysis" CY - Pathum Thani, Thailand DA - 06.12.2023 KW - Metrology in Chemistry KW - Traceability KW - Uncertainty PY - 2023 AN - OPUS4-59163 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen T1 - Isotope Ratio Analysis N2 - Basic information on isotope ratio analysis is provided. Isotope fractionation is discussed and the measurement process is described. Additionally, practical examples are provided. T2 - Workshop & Training "Isotope Ratio Analysis" CY - Pathum Thani, Thailand DA - 06.12.2023 KW - Isotope fractionation KW - Mass spectrometry KW - Terminology PY - 2023 AN - OPUS4-59164 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen T1 - Isotope Ratio Measurement - Quantities and calibration N2 - The quantities and the terminoly in isotope ratio measurements is presented, followed by explaining calibration approaches for isotope ratio measurements. Sources of error and bias are presented and special focus is given on single detector mass spectrometry. T2 - Workshop & Training "Isotope Ratio Analysis" CY - Pathum Thani, Thailand DA - 06.12.2023 KW - Isotope fractionation KW - Matrix separation KW - Interferences KW - Noise KW - Optimization PY - 2023 AN - OPUS4-59165 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen T1 - Detector deadtime N2 - Deadtime effects for counting detectors in ICP-MS and deadtime correction are discussed. Approaches for determining the deadtime are presented. T2 - Workshop & Training "Isotope Ratio Analysis" CY - Pathum Thani, Thailand DA - 06.12.2023 KW - Counting detector KW - Detector deadtime KW - Isotope ratio KW - Dual mode detector PY - 2023 AN - OPUS4-59166 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. T1 - Plasma Fundamentals and Diagnostics N2 - This course will provide an introduction to plasma diagnostic techniques. The major focus of the course will be on the discussions of the practical procedures as well as the underlying physical principles for the measurements of plasma fundamental characteristics (e.g., temperatures, thermodynamic properties, and electron number density). Particular emphasis will be placed on inductively coupled plasma–atomic emission spectrometry, but other analytical plasmas will also be used as examples when appropriate. Selected examples on how one can manipulate the operating conditions of the plasma source, based on the results of plasma diagnostic measurements, to improve its performance used for spectrochemical analysis will also be covered. Topics to be covered include thermal equilibrium, line profiles, temperatures, electron densities, excitation processes, micro reactions, pump and probe diagnostics, tomography, temporal and spatial resolution. Basis of plasma computer modeling will be presented. T2 - 2024 Winter Conference on Plasma Spectrochemistry CY - Tucson, Arizona, USA DA - 15.01.2024 KW - Plasma KW - Plasma fundamentals KW - Plasma diagnostics PY - 2024 AN - OPUS4-59430 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. T1 - Laser-Induced Plasma for Spectroscopy and More N2 - An overview of personal experience with laser-induced plasma (LIP) will be given. The combination of LIP with laser-induced fluorescence, atomic absorption, Raman spectroscopy and spatial heterodyne spectroscopy for elemental and isotopic analysis will be discussed. Unusual applications of LIP will be covered, such as LIP-based lasers and LIP-based chemical reactors. T2 - 2024 Winter Conference on Plasma Spectrochemistry CY - Tucson, Arizona, USA DA - 15.01.2024 KW - Laser induced plasma KW - Laser ablation KW - LIP-LIF KW - LIP-AAS PY - 2024 AN - OPUS4-59431 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Döring, Sarah T1 - Optimization of surface-functionalized particles for improved antibody digestion N2 - Therapeutic monoclonal antibodies are the fastest-growing group of biological agents which generated a yearly turnover of USD 210 billion in 2022 and whose sales are expected to grow by 10% annually over the next 10 years. With steadily increasing market importance, analytical methods for reliable quantification of therapeutic antibodies also become more and more relevant. Liquid chromatography coupled with tandem mass spectrometry (LC–MS/MS) has become the main technology for antibody quantification. This approach, however, requires enzymatic digestion of the intact protein into peptides, for which a wide range of different protocols exists that often lead to different results depending on the digestion procedure or trypsin variants used. In particular, the amount and type of detergents added for protein unfolding prior to digestion is known to create significant bias in measurement results. The overall goal of the presented project is the application of novel thermostable and surface-functionalized trypsin particles for improved antibody digestion. Specifically, a trypsin-variant described in the literature exhibiting increased activity and thermal stability above 80°C, will be examined. The application of this enzyme should allow to perform digestion at elevated temperatures where the protein is naturally unfolding thereby increasing enzyme accessibility without the need for detergents. Furthermore, we will immobilize the thermostable trypsin onto the surface to further enhance enzyme stability, prevent self-digestion, and enable separation of trypsin from target peptides before LC–MS/MS analysis. As an immobilization platform, cheap and non-porous corundum particles will be used as these show high chemical stability and low levels of interaction of matrix proteins with the functionalized surface. adsorption. In a multidisciplinary collaboration with the SALSA Photonics Lab, we will investigate the characteristics of covalent enzyme binding and unspecific peptide binding using an interface-sensitive analytical tool, vibrational sum-frequency generation (VSFG) spectroscopy. The insights gained will not only lead to new competencies in peptide and enzyme surface analysis using VSFG spectroscopy in SALSA but will also significantly contribute to optimizing antibody quantification. T2 - SALSA STF24 Kick-Off Meeting CY - Berlin, Germany DA - 11.04.2024 KW - Antibody Quantification KW - Vibrational Sum-Frequency Generation Spectroscopy KW - LC-MS/MS KW - Enzyme Immobilisation KW - Corundum PY - 2024 AN - OPUS4-59864 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ermilova, Elena T1 - Hybrid measurement technique for defect characterisation in wide bandgap semiconductors N2 - Climate change and increasing demand for electricity require the use of power electronics based on new wide bandgap (WBG) compound semiconductors. Power electronics devices are used in numerous application areas to control and convert electric energy. These may include generation and distribution of renewable energy for green hydrogen, electrification of transport or 5G communication. WBG electronics have much higher efficiency than the silicon-based ones and can operate at higher power densities, voltages, temperatures and switching frequencies with low energy losses. However, defects in the semiconductors can considerably affect the performance of power electronic devices or make their operation even impossible. The presentation will show the application of spectroscopic and imaging ellipsometry as well as white light interference microscopy for defect characterisation in SiC, GaN and Ga2O3 over a wide wavelength range. We used parameterized modelling of ellipsometric transfer parameters to determine the dielectric properties of bulk materials and thin layers. Imaging ellipsometry offers more information and is an advanced variant of optical microscopy, combining the lateral resolution of optical microscopy with the extreme sensitivity to surface and interface effects of ellipsometry. Surface topography and morphology of different types of defects were additionally investigated with imaging white light interference microscopy. Modern electronic thin film components require complex surface analysis methodologies and hybrid metrology. Hybrid measurement techniques enable fast and non-destructive traceable characterisation of thin film compound semiconductors as well as accurate detection and identification of defects. This methodical approach leads to a better understanding of the materials themselves and of the defect formation mechanisms during manufacturing. This work aims to enable highly reproducible manufacturing of compound semiconductor power electronics as well as operation monitoring to ensure failure-safety of electronic systems in power electronic devices. T2 - Abteilungskolloquium 2023, BAM CY - Berlin, Germany DA - 09.02.2023 KW - Spectroscopic and imaging ellipsometry KW - White light interference microscopy KW - Wide bandgap semiconductors KW - Surface analysis, PY - 2023 AN - OPUS4-59443 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ermilova, Elena T1 - Imaging spectroscopic ellipsometry for investigation of energy materials and materials for nano-electronics N2 - Ellipsometry is a very powerful tool used for accurate material investigation in a wide wavelength range. It is a non-destructive and fast method. Imaging ellipsometry as a combination of optical microscopy and ellipsometry enables spatially resolved measurements when determining the layer thickness and dielectric properties of thin layers. It is known for its high polarisation sensitivity and high contrast for the surface structures. In this contribution we show the application of the imaging ellipsometry for detection of defects in energy materials and quality validation of possible reference materials for nano-electronics. Defects in wide bandgap semiconductors, in homoepitaxial SiC and heteroepitaxial GaN layers on transparent SiC substrates, can be successfully detected and classified by means of imaging ellipsometry. Correlation of imaging ellipsometry results with results from complementary techniques such as white light interference microscopy as well as atomic force microscopy contribute to understanding of surface topography and defect formation mechanisms. We discuss the potential of different methods for analysing ellipsometric map data for monitoring the defect densities. Electric properties of materials at the nanoscale can be investigated by means of scanning probe microscopy methods such as scanning microwave microscopy and conductive atomic force microscopy. However, development of new robust and easy-to-use calibration methods and calibration standards is essential to increase the traceability of these methods and allow their broad application in industry. We show how imaging spectroscopic ellipsometry can be used for development and monitoring of processing quality of patterned reference samples based on indium tin oxide (ITO) layer with different thickness and conductivity. T2 - 12th Workshop on Spectroscopic Ellipsometry (WSE) CY - Prague, Czech Republic DA - 18.09.2023 KW - Ellipsometry KW - Thin Films KW - Transparent Conductive Oxides KW - Energy materials KW - White light interference microscopy KW - Nanoelectronics KW - Wide-bandgap semiconductors PY - 2023 AN - OPUS4-59340 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard T1 - The Dark Side of Science (2023 edition) N2 - An introductory lecture on the Dark Side of Science; what it is, why it exists, and what can be done to fight it. This lecture illuminates the increasing prevalence of fraudulent scientific work (e.g. faked data, manipulated images, paper mills) with plenty of examples and sources. The second section expands on the driving forces that caused this phenomenon to emerge, largely driven by pressures from management, peers and the researcher themselves. The third section expands on methods and tools that can be used to educate and arm oneself against this phenomenon. The 2023 edition includes new examples of larger fraudulent bodies of work emerging, and the problems posed by the arrival of LLMs. T2 - Lecture series on "Information management" CY - Berlin, Germany DA - 27.11.2023 KW - Research fraud KW - Scientific misconduct KW - Paper mills KW - Metrics-driven science KW - Image manipulation KW - Faked research PY - 2023 AN - OPUS4-58925 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Blotevogel, J. T1 - Thermal Destruction of PFAS N2 - Thermal treatment processes are currently the only full-scale option for thedestruction of per- and polyfluoroalkyl substances (PFAS) in large waste streams. While all organic molecules including PFAS are susceptible to thermal destruction, their decomposition rates are controlled by process variables such as temperature, reaction atmosphere, and residence time. Concerns exist about the formation of products of incomplete destruction and their emission from hazardous waste incinerators. This talk will summarize the current stateof-the-art of thermal PFAS destruction, identify research needs, and showcase future research designed to address critical knowledge gaps. T2 - Department of Defense's (DoD) Energy and Environment Innovation Symposium CY - Washington DC, USA DA - 28.11.2023 KW - Thermal treatment KW - Per- and Polyfluoroalkyl substances (PFAS) KW - Remediation PY - 2023 AN - OPUS4-58974 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogel, Christian T1 - PFAS analytics and their relation to PFAS remediation N2 - Per- and polyfluoroalkyl substances (PFAS) are a large group of more than 10,000 anionic, cationic, zwitterionic or neutral organofluorine surfactants. As a result of continuous and prolific use, mainly in aviation firefighting foams, thousands of industrial and military installations have been found to contain contaminated soil, groundwater and surface water. While liquid chromatography tandem mass spectrometry (LC-MS/MS) is commonly used technique to characterize targeted PFAS in environmental samples, there are more than 10,000 different PFAS known, which have various headgroups and properties. Therefore, several analytical techniques are available to analyse various groups or pools of PFAS or “all” PFAS as a sum parameter. Current decontamination strategies of PFAS-burdened soils mainly consist of adsorption methods using adsorbents for fixation of PFAS in the ground. A second option is the utilization of a “pump and treat” process, cycling polluted soils through a washing plant leading to the concentration of the pollutants in the fine fraction. Both approaches are cost-intensive and not intended for the direct decomposition of all PFAS contaminants. Hence, there is a great demand for innovative developments and chemical treatment technologies, dealing with new strategies of tackling the PFAS problem. Previously, mechanochemical treatment of polychlorinated organic compounds in soils showed an efficient dechlorination. Thus, we investigated mechanochemical treatment of PFAS contaminated soils with various additives in a ball mill and analyzed the PFAS defluorination with gas chromatography mass spectrometry (GC-MS) and liquid chromatography tandem mass spectrometry (LC-MS/MS), respectively, as well es the fluoride mineralization by ion chromatography (IC) and fluorine K-edge X-ray absorption near-edge structure (XANES) spectroscopy. T2 - International workshop of CAR-PFAS (Consortium for analysis and remediation of per- and polyfluoroalkyl substances) Japan CY - Tokyo, Japan DA - 17.10.2023 KW - Mechanochemical treatment KW - Per- and Polyfluoroalkyl substances (PFAS) KW - XANES spectroscopy KW - Soil PY - 2023 AN - OPUS4-58609 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Tsamos, Athanasios T1 - CNN Architectures for Image Processing. N2 - Deep Convolutional Neural Networks (DCNNs) and their applications in (XCT) data conditioning and automatic segmentation. A case study in Al-Si MMCs with synthetic training data. T2 - EUROLAB-D Tagung: KI im Prüflabor: Chancen und Herausforderungen von Künstlicher Intelligenz für akkreditierte Stellen CY - Berlin, Germany DA - 14.11.2023 KW - Automatic Segmentation KW - XCT KW - Artificial Intelligence KW - Synthetic Training Data PY - 2023 AN - OPUS4-59093 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Tsamos, Athanasios T1 - Denoising, Deblurring and Automatic Segmentation of XCT Data with Deep Learning and Synthetic XCT Training Data. A Case Study on Al-Si MMCs. N2 - We employ in-house generated synthetic Al-Si matrix composite XCT data for training deep convolutional neural networks for XCT data conditioning and automatic segmentation. We propose an in-house multilevel deep conditioning framework capable of rectifying noise and blur in corrupted XCT data sequentially. Furthermore, for automatic segmentation, we utilize a special in-house network coupled with a novel iterative segmentation algorithm capable of generalized learning from synthetic data. We report a consistent SSIM efficiency of 92%, 99%, and 95% for the combined denoising/deblurring, standalone denoising, and standalone deblurring, respectively. The overall segmentation precision was over 85% according to the Dice coefficient. We used experimental XCT data from various scans of Al-Si matrix composites reinforced with ceramic particles and fibers. T2 - 12th International Conference on Industrial Computed Tomography (iCT2023) CY - Fürth, Germany DA - 27.02.2023 KW - Automatic Segmentation KW - Denoising Deblurring Sharpening KW - Artificial Intelligence KW - DCNNs KW - Synthetic Training Data KW - XCT PY - 2023 AN - OPUS4-59095 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Held, Mathias T1 - Determination of isotropic elastic constants from dispersion images based on ultrasonic guided wave propagation by using convolutional neuronal networks N2 - Detaillierte Kenntnisse der elastischen Materialeigenschaften sind in vielen ingenieurtechnischen Bereichen von grundlegender Bedeutung. Insbesondere für die Anwendung von Predictive Maintenance und Structural- Health-Monitoring Methoden mit Ultraschall ist die genaue Kenntnis der elastischen Materialkonstanten eine Grundvoraussetzung. Die von den Herstellern zur Verfügung gestellten Angaben zu den elastischen Materialkonstanten, insbesondere für Polymere und faserverstärkte Kunststoffe, sind jedoch oft unzureichend, da diese vom Produktionsprozess abhängig sind und sich zusätzlich aufgrund von Materialabbauprozessen oder Ermüdung ändern können. In der Praxis liegen polymere Werkstoffe, faserverstärkte Kunststoffe und Metalle oft als dünne, plattenförmige Strukturen vor, in welchen sich geführte Ultraschallwellen (UGWs) ausbreiten können. In der aktuellen Forschung sind bereits verschiedene Neuronale Modelle zur Bestimmung der elastischen Konstanten und der Materialcharakterisierung mittels UGWs bekannt. Ein einfaches neuronales Netz, mit aus Dispersionsbildern extrahierten Werten für Frequenz und Wellenzahl ausbeutungsfähiger Moden als Eingabe, zur Vorhersage der elastischen Konstanten wird in verwendet. Ein rekurrentes Neuronales Netz mit einem Zeit-Frequenz Vektor als Eingabe wird in angewandt, während in ein 1D- Convolutional-Neuronal-Networks (CNN) unter Verwendung der zeitlichen Auslenkung der Grundmoden und in ein 2D-CNN unter Verwendung einer polaren Gruppengeschwindigkeitsdarstellung zur Bestimmung der elastischen Konstanten verwendet wird. In diesem Vortrag wird ein Ansatz zur Bestimmung der isotropen elastischen Konstanten von dünnen Platten auf der Grundlage von UGWs unter Verwendung von Dispersionsbildern und 2D-CNNs vorgestellt. Dispersionsabbildungen aus numerischen Simulationen werden mithilfe verschiedener Methoden vorverarbeitet, um realistische Messdaten zu simulieren. Mit den modifizierten Daten wird das Modell trainiert und die Architektur optimiert. Anschließend wird die Genauigkeit des erzeugten Modells mit realen Messdaten validiert. Es wird gezeigt, dass 2D-CNNs in der Lage sind, die isotropen elastischen Konstanten anhand multimodaler Merkmale aus Dispersionsbildern vorherzusagen, ohne dass eine anfängliche Schätzung der Parameter oder manuelle Merkmalsextraktion erforderlich ist. T2 - Doktorandentreffen Akademie Biggesee CY - Attendorn, Germany DA - 16.10.2023 KW - Elastische Konstanten KW - Dispersion KW - Maschinelles Lernen PY - 2023 AN - OPUS4-58800 LA - eng 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 - Laser-based active thermography is a contactless non-destructive testing method to detect material defects by heating the object and measuring its temperature increase with an infrared camera. Systematic deviations from predicted behavior provide insight into the inner structure of the object. However, its resolution in resolving internal structures is limited due to the diffusive nature of heat diffusion. Thermographic super resolution (SR) methods aim to overcome this limitation by combining multiple thermographic measurements and mathematical optimization algorithms to improve the defect reconstruction. Thermographic SR reconstruction methods involve measuring the temperature change in an object under test (OuT) heated with multiple different spatially structured illuminations. Subsequently, these measurements are inputted into a severely ill-posed and heavily regularized inverse problem, producing a sparse map of the OuT’s internal defect structure. Solving this inverse problem relies on limited priors, such as defect-sparsity, and iterative numerical minimization techniques. Previously mostly experimentally limited to one-dimensional regions of interest (ROIs), this thesis aims to extend the method to the reconstruction of twodimensional ROIs with arbitrary defect distributions while maintaining reasonable experimental complexity. Ultimately, the goal of this thesis is to make the method suitable for a technology transfer to industrial applications by advancing its technology readiness level (TRL). In order to achieve the aforementioned goal, this thesis discusses the numerical expansion of a thermographic SR reconstruction method and introduces two novel algorithms to invert the underlying inverse problem. Furthermore, a forward solution to the inverse problem in terms of the applied SR reconstruction model is set up. In conjunction with an additionally proposed algorithm for the automated determination of a set of (optimal) regularization parameters, both create the possibility to conduct analytical simulations to characterize the influence of the experimental parameters on the achievable reconstruction quality. On the experimental side, the method is upgraded to deal with two-dimensional ROIs, and multiple measurement campaigns are performed to validate the proposed inversion algorithms, forward solution and two exemplary analytical studies. For the experimental implementation of the method, the use of a laser-coupled DLP-projector is introduced, which allows projecting binary pixel patterns that cover the whole ROI, reducing the number of necessary measurements per ROI significantly (up to 20x). Finally, the achieved reconstruction of the internal defect structure of a purpose-made OuT is qualitatively and qualitatively benchmarked against well-established thermographic testing methods based on homogeneous illumination of the ROI. Here, the background-noise-free twodimensional photothermal SR reconstruction results show to outclass all defect reconstructions by the considered reference methods. T2 - Öffentliche wissenschaftliche Aussprache an der Technischen Universität Berlin CY - Berlin, Germany DA - 31.10.2023 KW - Thermography KW - Super resolution KW - NDT KW - Material testing KW - Internal defects KW - DMD KW - DLP PY - 2023 AN - OPUS4-58771 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Radiation biophysics N2 - We give an overview about our work related to radiation damage to DNA, proteins, and DNA-protiren complexes damage. Hereby the focus lies on the combination of experiments and Geant4 particle scattering simulations to understand effects in plasmid DNA pUC19, Oligos, and G5P protein. T2 - Project overview CY - Berlin, Germany DA - 27.09.2023 KW - DNA KW - Dosimetry KW - Proteins KW - Radiation damage KW - G5P KW - Microdosimetry KW - Ionizing radiation KW - Geant4 KW - TOPAS KW - TOPAS-nBio KW - Geant4-DNA KW - LEE KW - OH KW - Hydroxyl radical PY - 2023 AN - OPUS4-58742 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Radiation biophysics: a journey N2 - We give an overview about recent work concerning ionizing radiation damage to Oligonucleotides, plasmid DNA, DNA binding proteins (G5P), and DNA-protein complexes. We focus on combining new experimental setups with Geant4/TOPAS particle scattering simulations to understand the effets of ionizing radiation. T2 - Project update CY - Online meeting DA - 09.10.2023 KW - DNA KW - Proteins KW - G5P KW - Geant4 KW - Geant4-DNA KW - TOPAS KW - TOPAS-nBio KW - LEE KW - Dosimetry KW - Microdosimetry KW - Magnetism KW - Protein PY - 2023 AN - OPUS4-58744 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Lecompagnon, Julien T1 - Overcoming the Spatial Resolution Limits imposed by the Thermal MTF with Thermographic Photothermal Super Resolution Reconstruction N2 - The achievable spatial resolution of active thermographic testing is inherently limited by the diffusive nature of heat conduction in solids. This degradation of the achievable spatial resolution for a semi-infinite body acting on a defect signal can be approximated by spatial convolution with the Green’s function of the heat PDE. As the degradation in spatial resolution is dependent on the depth 𝐿, a common rule of thumb specifies that for proper detection, any defect should feature a spatial extension greater or equal to the depth it is located at. However, as the exact shape of a defect can have a large impact on its severity, at best a proper reconstruction of the defect shape should be performed, which therefore must also deal with the aforementioned adverse effects of heat conduction. One recent method to overcome the spatial resolution limit of thermographic testing is the photothermal super resolution reconstruction method. It is based on performing multiple active thermographic measurements on the same region of interest (ROI) with varying spatially structured heating and subsequent numerical reconstruction of the measured defect signals by solving a severely ill-posed inverse reconstruction problem relying on heavy regularization. By extending the experimental implementation of the method to make use of random-pixel patterns projected onto the ROI using a laser-coupled DLP-projector, defect reconstructions can now be performed within a reasonable time frame (~15 min per ROI) at high accuracy. Compared to conventional thermographic testing methods, the photothermal super resolution reconstruction stands out by resulting in a sparse representation of the defect structure of the ROI, making it especially well-suited to further automatic defect classification and quality assurance measures in an Industry 4.0 context. T2 - INTERNATIONAL SCHOOL OF QUANTUM ELECTRONICS: 67th Course: Progress in Photoacoustic & Photothermal Phenomena CY - Erice, Italy DA - 24.09.2023 KW - Thermography KW - Super resolution KW - NDT KW - Internal defects KW - DLP PY - 2023 AN - OPUS4-58472 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mishurova, Tatiana T1 - In-situ hot isostatic pressing combined with x-ray imaging and diffraction of laser powder bed fusion ti-6al-4v N2 - Hot Isostatic Pressing (HIP) is often introduced to tackle the porosity issue in additively manufactured (AM) materials. For instance, HIP post-processing is recommended to improve fatigue resistance of Laser powder bed fusion (PBF-LB) manufactured parts [1, 2]. Even though HIP cannot completely remove porosity, it significantly decreases the defect population and its average size below the critical threshold value leading to early crack initiation. In the present study, in-situ investigation of HIP procedure of PBF-LB Ti-6Al-4V parts was carried out to gain further insights into the densification mechanism occurring during HIP. The in-situ observations at high pressure and high temperature are uniquely possible at the PSICHE beamline of the Soleil synchrotron (France), thanks to the Ultrafast Tomography on a Paris-Edinburgh Cell (UToPEC) and the combination of the fast phase-contrast tomography and energy-dispersive diffraction [3, 4]. A detailed methodology was developed to ensure that the correct pressure and temperature were maintained during the experiments. The results allowed an estimation of the global dentification rate during HIP of PBF-LB Ti-Al-4V material, as well as a detailed quantitative characterization of the influence of pore size and shape on the densification process, thereby understanding the effectiveness of HIP process on different pore categories. After 20 mins, 75% of porosity can be considered as closed or has size below the resolution of the XCT reconstruction. We also observed that the smallest defects showed higher densification rate, while the defect shape did not have significant effect on such rate. The current development of in-situ HIP experiment allows experimental quantification and validation of the simulation work. Ultimately it paves the road to tailoring the HIP procedure for different materials depending on the porosity and microstructure. T2 - AAMS 2023 CY - Madrid, Spain DA - 26.09.23 KW - Additive manufacturing KW - HIP KW - X-ray computed tomography PY - 2023 AN - OPUS4-58482 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Melzer, Michael A1 - Nattuveettil, Keerthana T1 - Digital Calibration Certificates: Transforming Efficiency and Safety in Hydrogen Refuelling Station N2 - Digital Certificates have emerged as a pivotal element in automation and digitalisation. This presentation highlights the added value of a digitalised metrology, its impact on the workflows on the calibration service providing and receiving side as well as their significance in enhancing the quality infrastructure. An overview of digital calibration certificates (DCC) for temperature sensors, including their structure and role in establishing trust in hydrogen refuelling stations (HRS), will be discussed. Additionally, it explores the impact of DCC on optimising efficiency in the hydrogen refuelling process. Exploring the paradigm shift brought about by Industry 4.0, where machines possess the ability to autonomously interpret digital certificate data, leads to streamlined safety checks and reduced human intervention. We will discuss how automated verification of machine-readable certificates contributes to maintaining and elevating safety standards over human-readable certificates. Furthermore, we will take a deep dive into the application of DCCs in HRS, showcasing how they enhance operational efficiency, accuracy, and maintenance by enabling real-time monitoring and adjustment of process data. By exploring the interdependent relationship between digital certificates, machine-readable environments, and HRS optimisation, this presentation will provide valuable insights into harnessing cutting-edge technologies to create a safer, more efficient, and technologically empowered hydrogen refuelling process. T2 - H2Safety@BAM : Hydrogen Colloquium CY - Online meeting DA - 06.09.2023 KW - Digital Calibration Certificate KW - Digitalization KW - Digital Traceability KW - QI-Digital KW - Hydrogen Infrastructure PY - 2023 UR - https://www.bam.de/Content/DE/Standardartikel/Themen/Energie/Wasserstoff/wasserstoff.html AN - OPUS4-58353 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Denkler, Tilman T1 - OITB Quality Assurance concept and minimum requirements for testing services offered on the Metabuilding platform N2 - A brief description of the Quality Assurance concept of the Metabuilding Labs Open Ivvovation Test Bed (OITB) and presentation of the minimum requirements for testing services offered on the Metabuilding platform, wehich were elaborated in 2 workshops in summer 2023. T2 - 4th General Meeting of the Metabuilding Labs project (Horizon 2020) CY - Valladolid, Spain DA - 10.10.2023 KW - Open Innovation Test Bed KW - Metabuilding Labs PY - 2023 AN - OPUS4-58566 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Denkler, Tilman T1 - O3BET Quality Protocols N2 - Presentation of the process-oriented approach for the development of the quality protocolls (standard operation procedures and work instructions) for the O3BETs. O3BETs are innovative testing facilities for building envelopes which are developed in the course of the Metabuilding Labs EU Horizon 2020 project. T2 - 4th General Meeting of the Metabuilding Labs project (Horizon 2020) CY - Valladolid, Spain DA - 10.10.2023 KW - Open Innovation Test Bed KW - Metabuilding Labs KW - O3BET PY - 2023 AN - OPUS4-58567 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. T1 - Improved Data Processing for Accurate Plasma Diagnostics with Implications for Calibration-Free LIBS N2 - Many LIBS papers report the determination of plasma temperature using the Boltzmann plot method or the determination of electron density using the Stark line broadening relation. This requires measuring the integrated intensities of the spectral lines and the linewidth under the assumption of optical thinness. It is taken for granted that this can be easily done either by working with the raw spectra or by fitting the appropriate function to the observed spectral lines. However, extracting the necessary information from raw spectral data is not as easy as it might seem. The quality of such extraction will depend to a decisive extent on the type of spectral instrument used. The spectrum emitted by the plasma is distorted by the device; an example is shown in Fig. 1. The elimination of this distortion belongs to the class of inverse problems, the successful solution of which fundamentally depends on the quality of the available information. When it comes to spectroscopy, the quality of information primarily means high spectral resolution and low noise. Not all spectrometers used in LIBS can provide the quality needed to solve the inverse problem; this casts doubt on many published plasma measurements. This communication will be devoted to the general shortcomings of spectral data processing and the inaccuracies in determining the plasma parameters resulting from these shortcomings. The analysis is based on the use of synthetic spectra generated by plasma with known temperature, particle density and electron density. The estimation of errors caused by inadequate processing of spectral data is made by comparing the initial and measured plasma parameters from the spectra. Recommendations will be made for which analytic function best approximates the observed spectral lines, and how data processing errors affect the accuracy of calibration-free LIBS will be discussed. These issues were only partially covered in previously published works, for example [1, 2]. T2 - Colloquium Spectroscopicum Internationale XLIII, The 5th Asian Symposium on Laser Induced Breakdown Spectroscopy June 26-30, 2023 CY - Tokushima, Japan DA - 26.06.2023 KW - Laser induced breakdown spectroscopy KW - Calibration-free LIBS KW - Data processing PY - 2023 AN - OPUS4-58589 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -