TY - JOUR A1 - Otto, S. A1 - Förster, C. A1 - Wang, Cui A1 - Resch-Genger, Ute A1 - Heinze, K. T1 - A Strongly Luminescent Chromium(III) ComplexAcid N2 - The synthesis, structure, reactivity,and photophysical properties of anovel acidic,luminescentchromium(III) complex [Cr(H2tpda)2]3+ (23+ +)bearing the tridentate H2tpda (2,6-bis(2-pyridylamino)pyridine) ligand are presented. Excitation of 23+ + at 442 nm results in strong, long-lived NIR luminescence at 782 nm in water and in acetonitrile. X-ray diffraction analysis and IR spectroscopy revealhydrogen-bonding interactions of the counter ions to the NH groups of 23+ + in the solidstate. Deprotonation of the NH groups of 23+ + by using anon-nucleophilic Schwesinger base in CH3CN switches off the luminescence. Re-protonation by using HClO4 restores the emission. In water,the pKa value of 23+ + amountsto8 .8, yet deprotonation is not reversible in the presence of hydroxide ions. Dioxygen quenches the emission of 23+ +,but to aweaker extent than expected. This is possibly due to the strong ion-pairing properties of 23+ + even in solution, reducing the energy transfer efficiency to O2.Deuteration of the NH groups of 23+ + approximately doubles the quantum yield and lifetime in water,demonstrating the importance of multiphoton relaxation in these NIR emitters. KW - Cr(III) complex KW - Oxygen sensor KW - pH sensor KW - Luminescence KW - Luminescence lifetime KW - Quantum yield KW - NIR emitter PY - 2018 DO - https://doi.org/10.1002/chem.201802797 SN - 0947-6539 VL - 24 IS - 48 SP - 12555 EP - 12563 PB - Wiley‐VCH Verlag GmbH & Co. KGaA CY - Weinheim AN - OPUS4-45929 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hörenz, Christoph A1 - Tache, O. A1 - Bartczak, D. A1 - Nunez, S. A1 - Abad Alvaro, I. A1 - Goenaga-Infante, H. A1 - Hodoroaba, Vasile-Dan T1 - A Study on the Analysis of Particle Size Distribution for Bimodal Model Nanoparticles by Electron Microscopy N2 - The present study addresses the capability of measurement of relative particle number concentration by scanning electron microscopy for model bimodal silica and gold samples prepared in the frame of the European research project “nPSize - Improved traceability chain of nanoparticle size measurements” as candidate reference nanoparticles. KW - Nanoparticles KW - Particle size distribution KW - Bimodal size distribution KW - Traceability PY - 2020 DO - https://doi.org/10.1017/S1431927620021054 VL - 26 IS - S2 SP - 2282 EP - 2283 PB - Cambridge University Press CY - Cambridge, UK AN - OPUS4-51771 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gaillard, C. A1 - Mech, A. A1 - Wohlleben, W. A1 - Babick, F. A1 - Hodoroaba, Vasile-Dan A1 - Ghanem, A. A1 - Weigel, S. A1 - Rauscher, H. T1 - A technique-driven materials categorisation scheme to support regulatory identification of nanomaterials N2 - Worldwide there is a variety of regulatory provisions addressing nanomaterials. The identification as nanomaterial in a regulatory context often has the consequence that specific legal rules apply. In identifying nanomaterials, and to find out whether nanomaterial-specific provisions apply, the external size of particles is globally used as a criterion. For legal certainty, its assessment for regulatory purposes should be based on measurements and methods that are robust, fit for the purpose and ready to be accepted by different stakeholders and authorities. This should help to assure the safety of nanomaterials and at the same time facilitate their international trading. Therefore, we propose a categorisation scheme which is driven by the capabilities of common characterisation techniques for particle size measurement. Categorising materials according to this scheme takes into account the particle properties that are most important for a determination of their size. The categorisation is exemplified for the specific particle number based size metric of the European Commission's recommendation on the definition of nanomaterial, but it is applicable to other metrics as well. Matching the performance profiles of the measurement techniques with the material property profiles (i) allows selecting the most appropriate size determination technique for every type of material considered, (ii) enables proper identification of nanomaterials, and (iii) has the potential to be accepted by regulators, industry and consumers alike. Having such a scheme in place would facilitate the regulatory assessment of nanomaterials in regional legislation as well as in international relations between different regulatory regions assuring the safe trade of nanomaterials. KW - Nanomaterial KW - Nanoparticles KW - Categorisation scheme KW - EC definition of a nanomaterial KW - Regulatory identification of nanomaterials PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-471623 DO - https://doi.org/10.1039/C8NA00175H SN - 2516-0230 SP - 1 EP - 11 PB - The Royal Society of Chemistry AN - OPUS4-47162 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hoevelmann, J. A1 - Stawski, T. M. A1 - Besselink, R. A1 - Freeman, H. M. A1 - Dietmann, K. M. A1 - Mayanna, S. A1 - Pauw, Brian Richard A1 - Benning, L. G. T1 - A template-free and low temperature method for the synthesis of mesoporous magnesium phosphate with uniform pore structure and high surface area N2 - Mesoporous phosphates are a group of nanostructured materials with promising applications, particularly in biomedicine and catalysis. However, their controlled synthesis via conventional template-based routes presents a number of challenges and limitations. Here, we show how to synthesize a mesoporous Magnesium phosphate with a high surface area and a well-defined pore structure through thermal decomposition of a crystalline struvite (MgNH4PO4·6H2O) precursor. In a first step, struvite crystals with various morphologies and sizes, ranging from a few micrometers to several millimeters, had been synthesized from supersaturated aqueous solutions (saturation index (SI) between 0.5 and 4) at ambient pressure and temperature conditions. Afterwards, the crystals were thermally treated at 70–250 °C leading to the release of structurally bound water (H2O) and ammonia (NH3). By combining thermogravimetric analyses (TGA), scanning and transmission electron microscopy (SEM, TEM), N2 sorption analyses and small- and wide-angle X-ray scattering (SAXS/WAXS) we show that this decomposition process results in a pseudomorphic transformation of the original struvite into an amorphous Mg-phosphate. Of particular importance is the fact that the final material is characterized by a very uniform mesoporous structure with 2–5 nm wide pore channels, a large specific surface area of up to 300 m2 g−1 and a total pore volume of up to 0.28 cm3 g−1. Our struvite decomposition method is well controllable and reproducible and can be easily extended to the synthesis of other mesoporous phosphates. In addition, the so produced mesoporous material is a prime candidate for use in biomedical applications considering that Magnesium phosphate is a widely used, non-toxic substance that has already shown excellent biocompatibility and biodegradability. KW - Struvite KW - SAXS KW - Scattering KW - Nanoporous KW - Geology PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-477130 DO - https://doi.org/10.1039/c8nr09205b VL - 11 IS - 14 SP - 6939 EP - 6951 PB - Royal Society of Chemistry AN - OPUS4-47713 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Xiao, J. A1 - Vogl, Jochen A1 - Rosner, M. A1 - Deng, L. A1 - Jin, Z. T1 - A validated analytical procedure for boron isotope analysis in plants by MC-ICP-MS N2 - Boron (B) is an essential micronutrient for plant growth. Lack of valid methods for pretreatment and measurement of δ11B in plant restrict applications of it in the biosphere. Dry ashing, one step cation exchange and micro-sublimation were combined to separate and purify boron (B) in plant tissues. The low procedure blank, high B recovery and the accurate δ11B values of the plant reference materials demonstrate that this method is suitable and valid for B pretreatment and δ11B measurement in plant samples by MC-ICP-MS. Based on this method, the δ11B in different plants (Brassica napus, Chenopodium album L, moss, lichen, and Nostoc commune) was analyzed. For Brassica napus, δ11B increased gradually from root to leaf, and then decreased to rapeseed. For the same parts, the δ11B increased from the lower parts to the higher parts. This variation may be due to the B(OH)3 transporter of NIP6;1 and the incorporation of B into the cell. The reason for lower δ11B values in shell and rapeseed compared to those in leaves presumably is to the preferred Transport of borate in the phloem. The largest δ11B fractionation between leaf and root in Brassica napus and Chenopodium album L was +24.2‰ and +26.6‰, respectively. The large variation and fractionation of δ11B within plants indicates that δ11B is a good tracer to study the B translocation mechanisms and metabolism within plants. The δ11B in Nostoc commune, lichen, and moss showed variations of -4.1‰ to +21.5‰, −9.4‰ to +7.3‰, and −18.3‰ to +11. 9‰, respectively. In the same site, δ11B in different plants ranked Nostoc commune>moss>lichen and δ11B in mosses growing in different environment ranked soil>tree>rock. Rain and soil available B are the main B sources for these plants. The δ11B in Nostoc commune, lichen, and moss may be a useful tracer to study the atmospheric B input. In the future, plants culture experiments under certain environments and studies from molecular level are necessary to decipher the variation of δ11B and fractionation mechanisms within plants. KW - Boron isotope KW - Isotopic fractionation KW - Micro-sublimation KW - Plant tissue KW - MC-ICP-MS PY - 2019 DO - https://doi.org/10.1016/j.talanta.2018.12.087 SN - 0039-9140 SN - 1873-3573 VL - 196 SP - 389 EP - 394 PB - Elsevier B.V. CY - Amsterdam AN - OPUS4-47160 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Weber, Kathrin A1 - de Oliveira Guilherme Buzanich, Ana A1 - Radtke, Martin A1 - Reinholz, Uwe A1 - Stephan-Scherb, Christiane T1 - A µ‐XANES study of the combined oxidation/sulfidation of Fe–Cr model alloys N2 - The precise analysis of cation diffusion profiles through corrosion scales is an important aspect to evaluate corrosion phenomena under multicomponent chemical load, as during high‐temperature corrosion under deposits and salts. The present study shows a comprehensive analysis of cation diffusion profiles by electron microprobe analysis and microbeam X‐ray absorption near edge structure (µ‐XANES) spectroscopy in mixed oxide/sulfide scales grown on Fe–Cr model alloys after exposing them to 0.5% SO2. The results presented here correspond to depth‐dependent phase identification of oxides and sulfides in the corrosion scales by µ‐XANES and the description of oxidation‐state‐dependent diffusion profiles. Scales grown on low‐ and high‐alloyed materials show both a well‐pronounced diffusion profile with a high concentration of Fe3+ at the gas and a high concentration of Fe2+ at the alloy interface. The distribution of the cations within a close‐packed oxide lattice is strongly influencing the lattice diffusion phenomena due to their different oxidation states and therefore different crystal‐field preference energies. This issue is discussed based on the results obtained by µ‐XANES analysis. KW - X-ray absorption spectroscopy KW - Oxidation KW - Sulfidation PY - 2019 DO - https://doi.org/10.1002/maco.201810644 VL - 70 IS - 8 SP - 1360 EP - 1370 PB - Wiley VCH-Verlag AN - OPUS4-47934 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Huang, J. A1 - Tarábek, J. A1 - Kulkarni, R. A1 - Wang, Cui A1 - Dračínský, M. A1 - Smales, Glen Jacob A1 - Pauw, Brian Richard A1 - Resch-Genger, Ute A1 - Bojdys, M. J. T1 - A π-conjugated, covalent phosphinine framework N2 - Structural modularity of polymer frameworks is a key advantage of covalent organic polymers, however, only C, N, O, Si and S have found their way into their building blocks so far. Here, we expand the toolbox available to polymer and materials chemists by one additional nonmetal, phosphorus. Starting with a building block that contains a λ⁵‐phosphinine (C₅P) moiety, we evaluate a number of polymerisation protocols, finally obtaining a π‐conjugated, covalent phosphinine‐based framework (CPF‐1) via Suzuki‐Miyaura coupling. CPF‐1 is a weakly porous polymer glass (72.4 m2 g‐1 N2 BET at 77 K) with green fluorescence (λmax 546 nm) and extremely high thermal stability. The polymer catalyzes hydrogen evolution from water under UV and visible light irradiation without the need for additional co‐catalyst at a rate of 33.3 μmol h‐¹ g‐¹. Our results demonstrate for the first time the incorporation of the phosphinine motif into a complex polymer framework. Phosphinine‐based frameworks show promising electronic and optical properties that might spark future interest in their applications in light‐emitting devices and heterogeneous catalysis. KW - Phosphinine KW - Fully aromatic frameworks KW - Suzuki-Miyaura coupling KW - Polymers KW - Fluorescence KW - Small-angle scattering PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-485330 DO - https://doi.org/10.1002/chem.201900281 SP - 2 EP - 10 PB - Wiley VCH-Verlag CY - Weinheim AN - OPUS4-48533 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Preiss, J. A1 - Kage, Daniel A1 - Hoffmann, Katrin A1 - Martínez, T. J. A1 - Resch-Genger, Ute A1 - Presselt, M. T1 - Ab initio prediction of fluorescence lifetimes involving solvent environments by means of COSMO and vibrational broadening N2 - The fluorescence lifetime is a key property of fluorophores that can be utilized for microenvironment probing, analyte sensing, and multiplexing as well as barcoding applications. For the rational design of lifetime probes and barcodes, theoretical methods have been developed to enable the ab initio prediction of this parameter, which depends strongly on interactions with solvent molecules and other chemical species in the emitters' immediate environment. In this work, we investigate how a conductor-like screening model (COSMO) can account for variations in fluorescence lifetimes that are caused by such fluorophore−solvent interactions. Therefore, we calculate vibrationally broadened fluorescence spectra using the nuclear ensemble method to obtain distorted molecular geometries to sample the electronic transitions with time-dependent density functional theory (TDDFT). The influence of the solvent on fluorescence lifetimes is accounted for with COSMO. For example, for 4-hydroxythiazole fluorophore containing different heteroatoms and acidic and basic moieties in aprotic and protic solvents of varying polarity, this approach was compared to experimentally determined lifetimes in the same solvents. Our results demonstrate a good correlation between theoretically predicted and experimentally measured fluorescence lifetimes except for the polar solvents Ethanol and acetonitrile that can specifically interact with the heteroatoms and the carboxylic acid of the thiazole derivative. KW - Fluorescence lifetime KW - Ab initio calculation KW - COSMO KW - Conductor-like screening model PY - 2018 DO - https://doi.org/10.1021/acs.jpca.8b08886 SN - 1089-5639 SN - 1520-5215 VL - 122 IS - 51 SP - 9813 EP - 9820 PB - American Chemical Society CY - Washington, DC AN - OPUS4-47177 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Lisec, Jan T1 - ABID N2 - In order to automate the spectral comparison for larger libraries of antibodies, we developed the online software ABID 2.0. This open-source software determines the number of matching peptides in the fingerprint spectra. We propose that publications and other documents critically relying on monoclonal antibodies with unknown amino acid sequences should include at least one antibody fingerprint. By fingerprinting an antibody in question, its identity can be confirmed by comparison with a library spectrum at any time and context. KW - Software KW - Antibody KW - MALDI PY - 2022 UR - https://github.com/BAMresearch/ABID PB - GitHub CY - San Francisco, CA, USA AN - OPUS4-56192 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Braun, Ulrike T1 - About Standardization and Analytics of Microplastics N2 - Presentation about national and international standardization of microplastic analysis, as well as the project RUSEKU T2 - Industrievereinigung Chemiefaser e.V. CY - Frankfurt, Germany DA - 26.02.2019 KW - Standardisation KW - Microplastic KW - Analysis PY - 2019 AN - OPUS4-47577 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Strangfeld, Christoph A1 - Wiehle, Philipp A1 - Munsch, Sarah Mandy T1 - About the dominance of mesopores in physisorption in amorphous materials N2 - Amorphous, porous materials represent by far the largest proportion of natural and men-made materials. Their pore networks consists of a wide range of pore sizes, including mesoand macropores. Within such a pore network, material moisture plays a crucial role in almost all transport processes. In the hygroscopic range, the pores are partially saturated and liquid water is only located at the pore fringe due to physisorption. Therefore, material parameters such as porosity or median pore diameter are inadequate to predict material moisture and moisture transport. To quantify the spatial distribution of material moisture, Hillerborg’s adsorption Theory is used to predict the water layer thickness for different pore geometries. This is done for all pore sizes, including those in the lower nanometre range. Based on this approach, it is shown that the material moisture is almost completely located in mesopores, although the pore network is highly dominated by macropores. Thus, mesopores are mainly responsible for the moisture storage capacity, while macropores determine the moisture transport capacity, of an amorphous material. Finally, an electrical analogical circuit is used as a model to predict the diffusion coefficient based on the pore-size distribution, including physisorption. KW - Physisorption KW - Mesopores KW - Amorphous materials KW - Macropores KW - Adsorbed water layer thickness KW - Material moisture KW - Moisture distribution PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-538525 UR - https://dataverse.harvard.edu/dataset.xhtml?persistentId=doi:10.7910/DVN/NILGW2 DO - https://doi.org/10.3390/molecules26237190 VL - 26 IS - 23 SP - 1 EP - 22 PB - MDPI AN - OPUS4-53852 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nolze, Gert A1 - Winkelmann, A. T1 - About the reliability of EBSD measurements: Data enhancement N2 - An extensive set of information about the diffracting volume is carried by EBSD patterns: the crystal lattice, the reciprocal lattice, the crystal structure, the crystal symmetry, the mean periodic number of the diffracting phase, the source point from where it has been projected (projection centre), the crystal orientation, the sample topography (local tilt), the (preparation) quality of defect density of the crystal, and possible pattern overlaps. Some of this information is used regularly in conventional EBSD analyses software while others are still waiting for a more widespread application. Despite the wealth of information available, the accuracy and precision of the data that are presently extracted from conventional EBSD patterns are often well below the actual physical limits. Using a selection of example applications, we will demonstrate the gain in angular resolution possible using relatively low-resolution patterns of approximately 20k pixels in combination with pattern matching (PM) approaches. In this way, fine details in a microstructure can be revealed which would otherwise be hidden in the orientation noise. KW - EBSD KW - Orientation precision KW - Disorientation KW - Grain boundary KW - Phase transformation PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-521618 DO - https://doi.org/10.1088/1757-899X/891/1/012018 VL - 891 SP - 012018 PB - IOP Science AN - OPUS4-52161 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute A1 - Fiedler, Saskia A1 - Frenzel, Florian A1 - Tavernaro, Isabella A1 - Würth, Christian A1 - Grüne, M. A1 - Schweizer, S. A1 - Engel, A. T1 - Absolute Determination of Photoluminescence Quantum Yields of Scattering LED Converter Materials – How to Get it Right N2 - Optical measurements of scattering luminescent materials dispersed in liquid and solid matrices and luminescent powders play an important role in fundamental research and industry. Typical examples are luminescent nano- and microparticles and phosphors of different composition in different matrices or incorporated into ceramics with applications in energy conversion, solid-state lighting, medical diagnostics, and security barcoding. The key parameter for the performance of these materials is the photoluminescence quantum yield QY, i.e., the number of emitted photons per number of absorbed photons. QY of transparent luminophore solutions can be determined relatively to a fluorescence quantum yield standard of known QY. Such standards are meanwhile available as certified reference materials.[1] The determination of QY of scattering liquid and solid samples like dispersions of luminescent nanoparticles, solid phosphors, and optoceramics requires, however, absolute measurements with an integrating sphere setup. Although the importance of reliable absolute QY measurements has been recognized, no interlaboratory comparisons (ILCs) on measurement uncertainties and the identification of typical sources of uncertainty have been yet reported. Also, no scattering reference materials with known QY are available. We present here the results of a first ILC of 3 laboratories from academia and industry performed to identify and quantify sources of uncertainty of absolute QY measurements of scattering samples. Thereby, two types of commercial stand-alone integrating sphere setups with different illumination and detection geometries were utilized for measuring QY of transparent and scattering dye solutions and solid phosphors. As representative and industrially relevant solid and scattering samples, YAG:Ce optoceramics of varying surface roughness were chosen, applied, e.g., as converter materials for blue light emitting diodes. Special emphasis was dedicated to the influence of the measurement geometry, the optical properties of the blank, utilized to determine the number of photons of the incident excitation light absorbed by the sample, and the sample-specific surface roughness. While matching QY values could be obtained for transparent dye solutions and scattering dispersions, here using a blank with scattering properties closely matching those of the sample, QY measurements of optoceramic samples with different blanks revealed substantial differences, with the blank's optical properties accounting for measurement uncertainties of more than 20 %. Based upon the ILC results, we recommend non-absorbing blank materials with a high reflectivity (>95 %) such as a 2 mm-thick PTFE target placed on the sample holder which reveals a near-Lambertian light scattering behavior, yielding a homogeneous light distribution within the integrating sphere. T2 - e-MRS 2024 CY - Strasbourg, France DA - 27.05.2024 KW - Luminescence KW - Quantitative spectroscopy KW - Nano KW - Particle KW - Quantum yield KW - Lifetime KW - Quality assurance KW - Phosphor KW - Converter marterial KW - Fluorescence KW - Interlaboratory KW - Comparison KW - Method KW - Uncertainty KW - Reference material PY - 2024 AN - OPUS4-60490 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen A1 - Noordmann, J. A1 - Rosner, M. A1 - Goenaga-Infante, H. A1 - Štrok, M. A1 - Pramann, A. A1 - Vanhaecke, F. A1 - Meisel, T. A1 - Pröfrock, D. A1 - Prohaska, T. A1 - Vocke, R.D. A1 - Richter, S. T1 - Absolute Isotope Ratios N2 - Measurement results and scientific models leading to important decisions in forensics, food fraud or climatology are based on isotope ratio data. Molar masses of multi-isotopic elements are as well based on isotope ratio data. Thus, in the case of Si, isotope ratios directly impact the redefinition of the SI base units kilogram and mole. Therefore, new strategies are required leading to new primary isotope reference materials, whose isotope ratios are traceable to the SI. This in turn will ensure the comparability of isotope ratio data and will render the traceability exception requested by the CCQM superfluous. Such new procedures will be developed for the key elements S, Si, Ca, Sr and Nd at relative uncertainty levels of ≤ 0.01 %. T2 - EURAMET TC-MC Meeting CY - Vienna, Austria DA - 05.02.2018 KW - Metrology in chemistry KW - Isotope amount ratio KW - SI traceability KW - Atomic weight KW - Molar mass KW - Synthetic isotope mixtures PY - 2018 AN - OPUS4-44644 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen T1 - Absolute isotope ratios - a proposed research topic N2 - An introduction into absolute isotope ratios is given, with application fields ranging from fundamental science to geochronology and forensics. This is followed by a proposal for developing new calibration approaches for obtaining absolute isotope ratios at unrivaled uncertainty levels. This new developments will set the basis for improvements in all scientific fields. T2 - EURAMET TC-MC Workshop on Isotope Ratio Analysis CY - Bern, Switzerland DA - 05.02.2020 KW - Absolute isotope ratio KW - Isotope fractionation KW - Metrology KW - Fundamental science PY - 2020 AN - OPUS4-50346 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Meijer, M. S. A1 - Rojas-Gutierrez, P. A. A1 - Busko, D. A1 - Howard, I. A. A1 - Frenzel, Florian A1 - Würth, Christian A1 - Resch-Genger, Ute A1 - Richards, B. S. A1 - Turshatov, A. A1 - Capobianco, J. A. A1 - Bonnet, S. T1 - Absolute upconversion quantum yields of blue-emitting LiYF4:Yb3+,Tm3+ upconverting nanoparticles N2 - The upconversion quantum yield (QY) is an essential parameter for the characterization of the optical performance of lanthanoid-doped upconverting nanoparticles (UCNPs). Despite its nonlinear dependence on excitation power density, it is typically reported only as a single number. Here, we present the first measurement of absolute upconversion quantum yields of the individual emission bands of blue light-emitting LiYF4:Yb3+,Tm3+ UCNPs in toluene. Reporting the quantum yields for the individual emission bands is required for assessing the usability of UCNPs in various applications that require upconverted light of different wavelengths, such as bioimaging, photocatalysis and phototherapy. Here, the reliability of the QY measurements is demonstrated by studying the same batch of UCNPs in three different research groups. The results show that whereas the total upconversion quantum yield of these UCNPs is quite high - typically 0.02 at a power density of 5 W/cm2 — most of the upconverted photon flux is emitted in the 794 nm upconversion band, while the blue emission band at 480 nm is very weak, with a much lower quantum yield of 6 times 10^5 at 5 W/cm2. Overall, although the total upconversion quantum yield of LiYF4:Yb3+,Tm3+ UCNPs seems satisfying, notably for NIR bioimaging, blue-light demanding phototherapy applications will require better-performing UCNPs with higher blue light upconversion quantum yields. KW - Core-shell nanoparticles KW - Lanthanide-doped nayf-4 KW - Near-infrared light KW - Upconverting nanoparticles KW - Photocatalytic activity KW - Nanocrystals KW - Photosensitizer PY - 2018 DO - https://doi.org/10.1039/c8cp03935f VL - 20 IS - 35 SP - 22556 EP - 22562 PB - Royal Society of Chemistry AN - OPUS4-46370 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Altenburg, Simon A1 - Bernegger, Raphael A1 - Krankenhagen, Rainer T1 - Absorption coefficient dispersion in flash thermography of semitransparent solids N2 - Pulse and flash thermography are experimental techniques which are widely used in the field of non-destructive testing for materials characterization and defect detection. We recently showed that it is possible to determine quantitatively the thickness of semitransparent polymeric solids by fitting of results of an analytical model to experimental flash thermography data, for both transmission and reflection configuration. However, depending on the chosen experimental configuration, different effective optical absorption coefficients had to be used in the model to properly fit the respective experimental data, although the material was always the same. Here, we show that this effect can be explained by the wavelength dependency of the absorption coefficient of the sample material if a polychromatic light source, such as a flash lamp, is used. We present an extension of the analytical model to describe the decay of the heating irradiance by two instead of only one effective absorption coefficient, greatly extending its applicability. We show that using this extended model, the experimental results from both measurement configurations and for different sample thicknesses can be fitted by a single set of parameters. Additionally, the deviations between experimental and modeled surface temperatures are reduced compared to a single optimized effective absorption coefficient. T2 - 19th International Conference on Photoacoustic and Photothermal Phenomena CY - Bilbao, Spain KW - Absorptance KW - Dispersion KW - Flash thermography KW - Infrared thermography KW - NDT KW - Semitransparency PY - 2018 DO - https://doi.org/10.1007/s10765-018-2474-0 SN - 0195-928X SN - 1572-9567 VL - 40 IS - 1 SP - 13, 1 EP - 13 PB - Springer Nature AN - OPUS4-47105 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Munir, R. A1 - Lisec, Jan A1 - Jaeger, Carsten A1 - Zaidi, N. T1 - Abundance, fatty acid composition and saturation index of neutral lipids in colorectal cancer cell lines N2 - Lipid droplets, the dynamic organelles that store Triglycerides (TG) and cholesterol esters (CE), are highly accumulated in colon cancer cells. This work studies the TG and CE subspecies profile in colon carcinoma cell lines, SW480 derived from primary tumor, and SW620 derived from a metastasis of the same tumor. It was previously reported that the total TG and CE content is dramatically higher in SW620 cells; however, TG and CE subspecies profile has not been investigated in detail. The work presented here confirms that the total TG and CE Content is significantly higher in the SW620 cells. Moreover, the fatty acid (FA) composition of TG is significantly altered in the SW620 cells, with significant decrease in the abundance of saturated triglycerides. This resulted in a significantly decreased TG saturation index in the SW620 cells. The saturation index of CE was also significantly decreased in the SW620 cells. KW - Mass Spectroscopy KW - Metabolomics KW - Cancer PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-533504 DO - https://doi.org/10.18388/abp.2020_5465 VL - 68 IS - 1 SP - 1 EP - 4 PB - ABP Acta Biochimica Polonica AN - OPUS4-53350 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Kern, Simon A1 - Bornemann-Pfeiffer, Martin A1 - Guhl, Svetlana A1 - Wander, Lukas A1 - Meyer, Klas T1 - Accelerating chemical process development and manufacturing by online NMR spectroscopy N2 - Chemical companies must find new paths to successfully survive in a changing environment. The potential of digital technologies belongs to these. Flexible and modular chemical plants can produce various high-quality products using multi-purpose equipment with short down-times between campaigns and reduce time to market for new products. Intensified continuous production plants allow for difficult to produce compounds. Therefore, fully automated “chemical” process control along with real-time quality control are prerequisites to such concepts and thus should be based on “chemical” information. The advances of a fully automated NMR sensor were exploited, using a given pharmaceutical lithiation reaction as an example process within a modular pilot plant. A commercially available benchtop NMR spectrometer was integrated to the full requirements of an automated chemical production environment such as , e.g., explosion safety, field communication, and robust evaluation of sensor data. It was thereof used for direct loop advanced process control and real-time optimization of the process. NMR appeared as preeminent online analytical tool and allowed using a modular data analysis tool, which even served as reliable reference method for further PAT applications. In future, such fully integrated and intelligently interconnecting “smart” systems and processes can speed up the high-quality production of specialty chemicals and pharmaceuticals. T2 - Symposium: Quantitative NMR Methods for Reaction and Process Monitoring (NMRPM) 2019 CY - Kaiserslautern, Germany DA - 31.01.2019 KW - Process Analytical Technology KW - Process Industry KW - Online NMR Spectroscopy KW - Data Analysis KW - Digitization KW - CONSENS PY - 2019 N1 - Geburtsname von Bornemann-Pfeiffer, Martin: Bornemann, M. - Birth name of Bornemann-Pfeiffer, Martin: Bornemann, M. AN - OPUS4-47297 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hahn, Marc Benjamin T1 - Accessing radiation damage to biomolecules on the nanoscale by particle-scattering simulations N2 - Radiation damage to DNA plays a central role in radiation therapy to cure cancer. The physico-chemical and biological processes involved encompass huge time and spatial scales. To obtain a comprehensive understanding on the nano and the macro scale is a very challenging tasks for experimental techniques alone. Therefore particle-scattering simulations are often applied to complement measurements and aide their interpretation, to help in the planning of experiments, to predict their outcome and to test damage models. In the last years, powerful multipurpose particle-scattering framework based on the Monte-Carlo simulation (MCS) method, such as Geant4 and Geant4-DNA, were extended by user friendly interfaces such as TOPAS and TOPAS-nBio. This shifts their applicability from the realm of dedicated specialists to a broader range of scientists. In the present review we aim to give an overview over MCS based approaches to understand radiation interaction on a broad scale, ranging from cancerous tissue, cells and their organelles including the nucleus, mitochondria and membranes, over radiosensitizer such as metallic nanoparticles, and water with additional radical scavenger, down to isolated biomolecules in the form of DNA, RNA, proteins and DNA-protein complexes. Hereby the degradation of biomolecules by direct damage from inelastic scattering processes during the physical stage, and the indirect damage caused by radicals during the chemical stage as well as some parts of the early biological response is covered. Due to their high abundance the action of hydroxyl radicals (•OH) and secondary low energy electrons (LEE) as well as prehydrated electrons are covered in additional detail. Applications in the prediction of DNA damage, DNA repair processes, cell survival and apoptosis, influence of radiosensitizer on the dose distribution within cells and their organelles, the study of linear energy transfer (LET), the relative biological effectiveness (RBE), ion beam cancer therapy, microbeam radiation therapy (MRT), the FLASH effect, and the radiation induced bystander effect are reviewed. KW - DNA KW - Protein KW - G5P KW - OH KW - Au KW - AuNP KW - Radiation KW - SSB KW - DSB KW - Beta decay KW - Brachytherapy KW - Cancer treatment KW - Clustered nanoparticles KW - DNA damage KW - Dosimetry KW - Energy deposit KW - Geant4 KW - Geant4-DNA KW - Gold Nanoparticles KW - Livermore model KW - Low energy electrons KW - MCS KW - Microdosimetry KW - Monte-Carlo simulation KW - NP KW - OH radical KW - Particle scattering KW - Penelope model KW - Proteins KW - Radiation damage KW - Radiation therapy KW - Radiationtherapy KW - Radioactive decay KW - Radiolysis KW - Radiotherapy KW - Simulation KW - TOPAS KW - TOPAS-nbio KW - Base damage KW - Base loss KW - DNA radiation damage KW - Direct damage KW - Dissociative electron attachment (DEA) KW - Dissociative electron transfer (DET) KW - Double-strand break (DSB) KW - ESCA KW - Hydrated DNA KW - Hydrated electron KW - Hydration shell KW - Hydroxyl radical KW - Indirect damage KW - Ionization KW - Ionisation KW - NAP-XPS KW - Near ambient pressure xray photo electron spectroscopy KW - Net-ionization reaction KW - Prehydrated electron KW - Presolvated electron KW - Quasi-direct damage KW - ROS KW - Radical KW - Reactive oxygen species KW - Single-strand break (SSB) KW - XPS KW - Xray KW - Xray photo electron spectrocopy KW - Cosolute KW - Ectoin KW - Ectoine KW - GVP KW - Gene five protein KW - Hydroxyectoine KW - Ionizing radiation damage KW - OH radical scavenger KW - Monte-Carlo simulations KW - Nanodosimetry KW - Osmolyte KW - Particle scattering simulations KW - Protein unfolding KW - Radical Scavenge KW - Radical scavenger KW - Single-stranded DNA-binding proteins KW - SAXS KW - Bio-SAXS KW - X-ray scattering KW - ssDNA KW - dsDNA KW - FLASH effect KW - Bystander effect KW - Ion beam therapy KW - Bragg peak KW - LET KW - MCNP KW - Photons KW - Electrons KW - Carbon ions KW - MRT KW - RNA KW - RBE KW - base loss KW - abasic side KW - DMSO KW - Cells PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-573240 DO - https://doi.org/10.1088/2399-6528/accb3f SN - 2399-6528 VL - 7 IS - 4 SP - 042001 PB - Institute of Physics (IOP) Publishing CY - London AN - OPUS4-57324 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Denkler, Tilman T1 - Accreditation in Europe: Benchmarking the operations of European accreditation bodies using an innovative management tool N2 - Accreditation is one of the pillars of a national Quality Infrastructure, as the competence of conformity assessment bodies is assured through accreditation performed by accreditation bodies. To compare the operation of accreditation bodies in Europe and to identify best practices, a management tool, the Process Maturity Benchmarking Tool, was developed and validated by applying it to European accreditation bodies. The benchmarking project comprised two major phases: In the first phase, the processes of accreditation bodies were systematically analyzed. A process map was developed, and processes of special relevance were identified and underpinned by indicators. In the second phase, the practical applicability of the theoretical model was demonstrated by analyzing the processes of eight European accreditation bodies. The results of this comparative assessment were subsequently discussed in a workshop with experts from those accreditation bodies, giving the opportunity to identify best practices. This article has a twofold objective. First, to present a method to benchmark European accreditation bodies, based on the European Foundation for Quality Management excellence model. The successful application of the Process Maturity Benchmarking Tool gives evidence that it is a suitable and capable management tool to assess the processes of the European accreditation bodies and to benchmark them. Second, the article presents the results of the first adaption of the Process Maturity Benchmarking Tool. A general trend of process maturity was identified: While processes based on stakeholder involvement tend to have an overall lower maturity on average, internal processes are more mature. KW - Accreditation KW - Benchmarking KW - Quality Infrastructure KW - EFQM Excellence Modell KW - Total Quality Management KW - Akkreditierung PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-521706 DO - https://doi.org/10.1007/s00769-021-01459-7 VL - 26 IS - 1 SP - 47 EP - 57 PB - Springer Nature CY - Jersey City, NJ 07302, USA AN - OPUS4-52170 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dudek, Gabriele A1 - Koch, Claudia T1 - Accreditation, conformity assessment and national Quality Infrastructure - The system in Germany and areas of research N2 - The presntation gives an overview of the QI System in Germany and Europe, especially accreditation and conformity assessment. It further highlights some areas of research conducted in BAM with regard to elements of QI. T2 - National Quality Infrastructure • Beijing Forum CY - Peking, People's Republic of China DA - 08.01.2019 KW - QI KW - Accreditation KW - Quality infrastructure KW - Qualitätsinfrastruktur KW - Conformity assessment KW - Konformitätsbewertung KW - Akkreditierung PY - 2019 AN - OPUS4-49123 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Koch, Claudia A1 - Dudek, Gabriele T1 - Accreditation, conformity assessment and national quality infrastructure - The system in Germany and areas of research N2 - The presentation gives an overview and some examples of research projects conducted at BAM (Department S.2) in the field of QI T2 - National Quality Infrastructure • Beijing Forum CY - Peking, People's Republic of China DA - 08.01.2019 KW - QI KW - Qualitätsinfrastruktur KW - Quality infrastructure KW - Conformity assessment KW - Konformitätsbewertung KW - Standardization KW - Normung KW - Akkreditierung KW - Accreditation PY - 2019 AN - OPUS4-49124 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hertwig, Andreas A1 - Ermilova, Elena A1 - Sachse, René A1 - Beck, Uwe T1 - Accuracy, traceability, and standardization in spectroscopic ellipsometry N2 - Ellipsometry has been an extremely successful and fast expanding method in the past decades along with other related techniques using polarisation sensitive measurements. Opening new fields of application for a successful measurement technique brings some requirements and issues that have to be solved. From a metrological point of view, ellipsometry has the problem that uncertainties are difficult to determine for model-based analysis techniques in general. In this presentation, we will explore how the usefulness of polarimetric methods like ellipsometry can be increased. Ellipsometry as a method could profit from several current developments which will be discussed in this presentation: • Standardisation initiatives on national and international level developing standards for best practice when using ellipsometry. A series of at least six standards is currently developed on national German and international level covering different levels of sample complexity. • Projects on traceability of ellipsometry and structured surface spectrometry as well as new dielectric function database initiatives. • Metadata handling and data ontology providing a better framework for exchange and collaborative use of research data. We will also explore the quantification of measurement uncertainty using examples from projects in which BAM is involved. Examples will be presented of multilayer and non-ideal materials as well as the determination of layer properties for technical applications such as thin layer catalysts and complex polymers. The definition of reference materials will be discussed. T2 - 11th Workshop Ellipsometry (WSE 11) CY - Steyr, Austria DA - 06.09.2021 KW - Ellipsometry KW - Uncertainty KW - Surface analytics KW - Data science PY - 2021 AN - OPUS4-53295 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hieu, D.T. A1 - Kosslick, H. A1 - Riaz, M. A1 - Schulz, A. A1 - Springer, A. A1 - Frank, M. A1 - Jäger, Christian A1 - Minh Thu, N.T. A1 - Son, L.T. T1 - Acidity and Stability of Bronsted Acid Sites in Green Clinoptilolite Catalysts and Catalytic Performance in the Etherification of Glycerol N2 - Natural zeolite clinoptilolite CLIN with a framework ratio of Si/Al ≥ 4 containing mainly potassium and calcium ions in its internal channel system was used as a starting material. The acidic HCLIN catalysts were prepared under soft conditions avoiding the use of environmental less benign mineral acids. The starting material was ion exchanged using a 0.2 M aqueous ammonium nitrate solution at a temperature 80 ◦C for 2 h. The obtained NH4CLIN was converted into the acid HCLIN catalyst by calcination at 300–600 ◦C. The obtained samples were characterized by XRD, FTIR, SEM/TEM, AAS, and EDX element mapping. The state of aluminium and silicon was studied by 27Al- and 29SiMAS NMR spectroscopy. The textural properties of the catalysts were investigated by nitrogen adsorption and desorption measurements. The Brønsted acidity of the HCLIN catalysts was studied by temperature-programmed decomposition of the exchanged ammonium ions releasing ammonia as well as 1H MAS NMR, {1H–27Al} Trapdor, and {1H–27Al} Redor experiments. The strongly agglomerated samples were crystalline and thermally stable up to >500 ◦C. Although a part of the clinoptilolite framework is maintained up to 600 ◦C, a loss of crystallinity is already observed starting from 450 ◦C. The specific surface areas of the starting CLIN and ammonium exchanged NH4CLIN are low with ca. 26 m2/g. The pores are nearly blocked by the exchangeable cations located in the zeolite pores. The thermal decomposition of the ammonium ions by calcination at 400 ◦C causes an opening of the pore entrances and a markable increase in the specific micropore area and micropore volume to ca. 163 m2/g and 0.07 cm3/g, respectively. It decreases with further rising calcination temperature indicating some structural loss. The catalysts show a broad distribution of Brønsted acid sites (BS) ranging from weak to strong sites as indicated the thermal decomposition of exchanged ammonium ions (TPDA). The ammonium ion decomposition leaving BS, i.e., H+ located at Al–O–Si framework bridges, starts at ≥250 ◦C. A part of the Brønsted sites is lost after calcination specifically at 500 ◦C. It is related to the formation of penta-coordinated aluminium at the expense of tetrahedral framework aluminium. The Brønsted sites are partially recreated after repeated ammonium ion exchange. The catalytic performance of the acidic HCLIN catalysts was tested in the etherification of glycerol as a green renewable resource with different C1 -C4 alcohols. The catalysts are highly active in the etherification of glycerol, especially with alcohols containing the branched, tertiary alkyl groups. Highest activity is observed with the soft activated catalyst HCLIN300 (300 ◦C, temperature holding time: 1 min). A total of 78% conversion of glycerol to mono and di ether were achieved with tert-butanol at 140 ◦C after 4 h of reaction. The mono- and di-ether selectivity were 75% and 25%, respectively. The catalyst can be reused. KW - Etherification KW - Glycerol KW - Zeolite KW - Clinoptilolite KW - Bronsted acidity KW - Dehydroxylation PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-546982 DO - https://doi.org/10.3390/catal12030253 VL - 12 IS - 3 SP - 1 EP - 24 PB - MDPI AN - OPUS4-54698 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Bühling, Benjamin T1 - Acoustic and flow data of an ultrasonic fluidic switch and an ultrasonic piezoelectric transducer N2 - This dataset contains acoustic and flow data of an ultrasonic fluidic switch, which have been acquired using a microphone, a hot-wire anemometer and a pitot tube. Furthermore, acoustic data of a commercial piezoelectric transducer is provided. KW - Fluidics KW - Air-coupled ultrasound KW - Ultrasound KW - Non-destructive testing KW - Acoustic-flow interaction KW - Piezoelectric transducer PY - 2020 DO - https://doi.org/10.7910/DVN/OQYPC9 PB - Harvard College CY - Cambridge, MA, USA AN - OPUS4-52392 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bühling, Benjamin A1 - Maack, Stefan A1 - Schönsee, Eric A1 - Schweitzer, Thorge A1 - Strangfeld, Christoph T1 - Acoustic and flow data of fluidic and piezoelectric ultrasonic transducers N2 - This data article presents characteristic acoustic and flow data of a fluidic ultrasonic transducer as well as acoustic data of a commercial piezoelectric ultrasonic transducer used in non-destructive testing for civil engineering. The flow data has been acquired using hot-wire anemometry and a Pitot tube. The three-dimensional acoustic data of both devices has been acquired using a calibrated microphone. The distribution of characteristic acoustic properties of both transducers are extracted and given in addition to the raw data. The data presented in the article will be a valuable source for reference and validation, both for developing fluidic and alternate ultrasound generation technologies. Furthermore, they will give additional insight into the acoustic-flow interaction phenomena of high speed switching devices. This article is accompanying the paper Experimental Analysis of the Acoustic Field of an Ultrasonic Pulse Induced by a Fluidic Switch (Bühling et al., 2021) published in The Journal of the Acoustical Society of America, where the data is interpreted in detail and the rationale for characteristic sound properties of the fluidic transducer are given. KW - Ultrasound KW - Non-destructive testing KW - Air-coupled ultrasound KW - Fluidics KW - Acoustic-flow interaction KW - Piezoelectric transducer PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-531308 DO - https://doi.org/10.1016/j.dib.2021.107280 VL - 38 SP - 1 EP - 8 PB - Elsevier CY - Amsterdam AN - OPUS4-53130 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Niemz, P. A1 - Baensch, Franziska A1 - Brunner, A. J. ED - Pavalache-Ilie, M. ED - Curtu, A. L. T1 - Acoustic Emission Analysis And Synchrotron-based Microtomography of glued shear strength samples from spruce wood N2 - To better understanding the failure of adhesive joints tensile tests were carried out on miniature test specimens from Norway spruce in the synchrotron. Urea-formaldehyde resin was used as adhesive. e. For comparison purposes, tensile tests were carried out on solid wood and on bonded miniature tensile shear samples with acoustic emission. The acoustic emission signals of all the experiments occurred with classified pattern recognition. This resulted in two classes of signals for each two frequency peaks. One class consisted of the low-frequency and the other of the higher-frequency peak of higher intensity, but this was essentially independent from the structure (solid wood or plywood) and size scale of the test specimens. The influence of the adhesive layers was determined on wood test specimens on laboratory scale and on miniature test specimens with an adhesive layer and selected fiber orientations. This gave evidence that the sound emission signals from the failure of the adhesive layer presumably of the class with low frequency signals peak in the range of services can be assigned. KW - Wood KW - Bondline KW - In-situ test KW - Acoustic emission KW - Synchrotron tomography PY - 2020 DO - https://doi.org/10.31926/but.fwiafe.2020.13.62.1.7 VL - 13 IS - 62 Part 1 SP - 81 EP - 88 PB - Transilvania University Press, Brasov, Romania CY - Brasov AN - OPUS4-51010 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kotschate, Daniel A1 - Gaal, Mate A1 - Kersten, H. T1 - Acoustic emission by self-organising effects of micro-hollow cathode discharges N2 - We designed micro-hollow cathode discharge prototypes under atmospheric pressure and investi-gated their acoustic characteristics. For the acoustic model of the discharge, we correlated the self-organisation effect of the current density distribution with the ideal model of an acoustic membrane. For validation of the obtained model, sound particle velocity spectroscopy was used to detect and analyse the acoustic emission experimentally. The results have shown a behaviour similar to the ideal acoustic membrane. Therefore, the acoustic excitation is decomposable into its eigenfrequencies and predictable. The model was unified utilising the gas exhaust velocity caused by the electrohydrodynamic force. The results may allow a contactless prediction of the current density distribution by measuring the acoustic emission or using the micro-discharge as a tunable acoustic source for specific applications as well. KW - Micro hollow cathode discharge KW - Atmospheric pressure plasma KW - Gas discharges KW - Plasma acoustics PY - 2018 DO - https://doi.org/10.1063/1.5024459 SN - 0003-6951 VL - 112 IS - 15 SP - Article 154102, 1 EP - 4 PB - AIP Publishing AN - OPUS4-44659 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Baensch, Franziska T1 - Acoustic Emission Monitoring of materials, production processes, infrastructures N2 - Acoustic Emission testing is a usable tool for failure Analysis of materials as well as to monitor infrastructurs or production processes. T2 - 5th International Conference on Smart Monitoring, Assessment and Rehabilitation of Civil Structures CY - Potsdam, Germany DA - 27.08.2019 KW - Acoustic Emission (AE) KW - Laser Metal Deposition (LMD) KW - Pipeline KW - NDT Monitoring PY - 2019 AN - OPUS4-49696 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Baensch, Franziska T1 - Acoustic emission of fibre reinforced AlSi12CuMgNi alloy under compression N2 - Typically, the near-eutectic Al-Si alloys consist of highly interconnected three-dimensional network of the eutectic Silicon (Si) and intermetallics embedded into Aluminium (Al) matrix. For further improvement of the mechanical properties of such alloys, often, one single ceramic reinforcement phase, e.g. silicon carbide (SiC) or aluminium oxide (Al2O3) in the form of fibres or particles is added. However, hybrid reinforcements (fibres and particles) can further improve wear resistance and fracture toughness, and additionally, reduce anisotropy of the material. The engineering of metal matrix composites (MMC) for specific application requirements benefits from a comprehensive knowledge of the failure behaviour. Therefore, damage evolution under compression was investigated on: - pure near-eutectic AlSi12CuMgNi matrix alloy - type I: matrix reinforced with random-planar oriented Al2O3 short fibres (15 vol.%) - type II: matrix reinforced with random-planar oriented Al2O3 short fibres (7 vol.%) and additional SiC particles (15 vol.%) The analysis of damage mechanism was carried out in two rather independent but complementary studies. First, selected sister samples of every material were exposed to quasi-static compression (traverse control). The compression tests were interrupted at different strain levels. Miniature cylinders with a diameter of 1mm were extracted from the pre-strained samples and investigated by synchrotron computed tomography (SX-µCT) with a spatial resolution of about 0.7 µm. For the pure matrix alloy, microcracks are confined to the intermetallic particles and to the eutectic Si, hence no damage was observed in the Aluminium. The composite type II revealed a more effective strain accumulation (less damage) than type I at low plastic strain (up to 5 %), but a more catastrophic damage development due to cracking of the SiC clusters at higher strain levels. The second approach to study the damage initiation and accumulation in the materials subjected to compressive load was Acoustic Emission (AE) analysis. In this case the in-situ monitoring of the acoustic emission signal was performed during compression tests on specimens with dimension of several mm. For all three material types, AE activity set at 2% strain. Differences in AE behaviour of the three materials was proven based on AE hitrate, signal peak amplitudes as well as weighted peak frequencies (WPF). Future work focuses on combination of AE and SX-µCT aiming for more detailed knowledge on damage mechanism of metal matrix composites. T2 - Schall21 CY - Online meeting DA - 24.02.2021 KW - AlSi12CuMgNi KW - Al-Si alloys KW - Acoustic emission KW - Tension PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-534268 UR - https://www.dgzfp.de/seminar/schall21 AN - OPUS4-53426 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Baensch, Franziska A1 - Hüsken, Götz A1 - Pirskawetz, Stephan A1 - Gründer, Klaus-Peter A1 - Kadoke, Daniel A1 - Baer, Wolfram A1 - Wossidlo, Peter A1 - Homann, Tobias A1 - Prager, Jens A1 - Stajanca, Pavol A1 - Habib, Abdel Karim A1 - Zauner, Michaela A1 - Sause, Markus G. R. A1 - Vergeynst, Lidewei A1 - Brunner, Andreas J. A1 - Niemz, Peter T1 - Acoustic emission testing N2 - The phenomenon of acoustic emission (AE) and fundamentals of AE testing procedures are presented. AE based failure analysis of reinforced concrete beam under bending load, steel pipe segments under bending load and wood based materials under tension load are discussed. T2 - INFRASTAR, Training Week #03 at AAU CY - Aalborg, Denmark DA - 04.06.2018 KW - Acoustic emission PY - 2018 AN - OPUS4-45147 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wasmer, Paul A1 - Bulling, Jannis A1 - Gravenkamp, Hauke A1 - Prager, Jens T1 - Acoustic-structure interaction in the scaled boundary finite element method for primsatic geometries N2 - Due to the short wavelength compared to the dimensions of the structure, the simulation of ultrasonic waves is still a challenging task. A numerical method well suited for this purpose is the semi-analytical Scaled Boundary Finite Element Method (SBFEM). When applying this method, only the boundary of a computational domain is discretized using finite elements, while the interior is described by an analytical ansatz. Hence, the number of degrees of freedom is reduced significantly compared to the classical Finite Element Method (FEM). In recent years, a particular formulation of the SBFEM for the simulation of ultrasonic guided waves was developed. The method constitutes an efficient algorithm for prismatic structures of arbitrary length, such as plates, pipes, or beams. Wave propagation phenomena in such structures can be modeled for isotropic and anisotropic inhomogeneous waveguides. Even though the method is an efficient tool for the simulation of guided waves in solid media, a reliable model for the simulation of acoustic wave propagation in fluids as well as acoustic-structure interaction in terms of SBFEM is still missing. In principle, the fluid can be described by a displacement-based formulation and thus be implemented in existing SBFEM algorithms for solid bodies. However, due to the discretization with classical finite elements, spurious modes occur, which cannot be separated from the physical modes straightforwardly. The spurious modes can be suppressed using a penalty parameter. Although very accurate results were achieved for some problems, this procedure has been proven unreliable for certain cases. For this reason, we propose a different approach in this contribution. We employ a pressure model to simulate the acoustic behavior of fluids. The implementation of the pressure model results in a higher effort due to the necessity of incorporating coupling terms, but it presents a stable alternative without spurious modes. The accuracy of the method is demonstrated in comparison with analytical solutions and results obtained using the FEM. T2 - GACM 2019 CY - Kassel, Germany DA - 28.08.2019 KW - Scaled Boundary Finite Element Method KW - Guided Waves KW - Acoustic-structure interaction PY - 2019 AN - OPUS4-48846 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wasmer, Paul A1 - Bulling, Jannis A1 - Gravenkamp, H. A1 - Prager, Jens T1 - Acoustic-structure interaction in the Scaled Boundary Finite Element Method for primsatic geometries N2 - Due to the short wavelength compared to the dimensions of the structure, the simulation of ultrasonic waves is still a challenging task. A numerical method well suited for this purpose is the semi-analytical Scaled Boundary Finite Element Method (SBFEM). When applying this method, only the boundary of a computational domain is discretized using finite elements, while the interior is described by an analytical ansatz. Hence, the number of degrees of freedom is reduced significantly compared to the classical Finite Element Method (FEM). In recent years, a particular formulation of the SBFEM for the simulation of ultrasonic guided waves was developed. The method constitutes an efficient algorithm for prismatic structures of arbitrary length, such as plates, pipes, or beams. Wave propagation phenomena in such structures can be modeled for isotropic and anisotropic inhomogeneous waveguides. Even though the method is an efficient tool for the simulation of guided waves in solid media, a reliable model for the simulation of acoustic wave propagation in fluids as well as acoustic-structure interaction in terms of SBFEM is still missing. In principle, the fluid can be described by a displacement-based formulation and thus be implemented in existing SBFEM algorithms for solid bodies. However, due to the discretization with classical finite elements, spurious modes occur, which cannot be separated from the physical modes straightforwardly. The spurious modes can be suppressed using a penalty parameter. Although very accurate results were achieved for some problems, this procedure has been proven unreliable for certain cases. For this reason, we propose a different approach in this contribution. We employ a pressure model to simulate the acoustic behavior of fluids. The implementation of the pressure model results in a higher effort due to the necessity of incorporating coupling terms, but it presents a stable alternative without spurious modes. The accuracy of the method is demonstrated in comparison with analytical solutions and results obtained using the FEM. T2 - GACM 2019 CY - Kassel, Germany DA - 28.08.2019 KW - Scaled Boundary Finite Element Method KW - Guided Waves KW - Ultrasound KW - Acoustic-Structure Interaction PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-497364 UR - https://www.upress.uni-kassel.de/katalog/abstract.php?978-3-7376-5093-9 SN - 978-3-86219-5093-9 DO - https://doi.org/10.19211/KUP9783737650939 SP - 347 EP - 350 AN - OPUS4-49736 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kotschate, Daniel A1 - Hansen, L. A1 - Gaal, Mate A1 - Kersten, H. T1 - Acoustical analysis of DCSBD and MHC discharges N2 - Due to the multi-physical appearance of gas discharges the possibilities of interaction with their surrounding environment are very wide. Some of the most common applications are the surface or material modification and acting as an ion source for mass spectroscopy applications. Since atmosphere plasma generates a massive amount of thermal energy caused by collisions in the sheath, this temperature alternation is also able to produce acoustic waves in the ambient gas volume (as lightning and thunder), which is called thermoacoustic effect. This talk presents an overview of the experimental acoustic analysis of surface dielectric barrier and micro hollow cathode discharges. Regarding other methods of acoustic excitation, the thermoacoustic approach benefits of its massless working principle and the proper impedance matching. In addition to the characterisation, possible applications (e.g. plasma acoustic loudspeaker or transducer for air-coupled ultrasonic testing) concerning these discharge types are presented. T2 - DPG Frühjahrstagung (SAMOP) CY - Erlangen, Germany DA - 04.03.2018 KW - Gas discharges KW - Micro hollow cathode discharge KW - Surface dielectric barrier discharge KW - Atmospheric pressure plasma PY - 2018 AN - OPUS4-44443 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Unger, Wolfgang T1 - Acquiring and Documenting Reproducible Spectra, Depth Profiles and Images: XPS, AES and SIMS N2 - In this talk sample prep/handling, instrument calibration and data acquisition methods with examples from XPS, Auger and SIMS will be addressed in terms of their contributions to the reproducibility of data delivered by the methods. Active parties in the field are VAMAS TWA 2 “Surface chemical analysis” (http://www.vamas.org/twa2/index.html), ISO/TC 201 “Surface chemical analysis” (https://www.iso.org/committee/54618.html) and the Surface Analysis Working Group (SAWG) at the International Meter Convention (https://www.bipm.org/en/ committees/cc/wg/sawg.html). The tools to improve the reproducibility of spectra, depth profiles and images at these international platforms are inter-laboratory comparisons, validated SOPs, standards and certified reference materials (CRM) as well as uncertainty budgets and establishment of traceability chains. The last point is of specific importance because all the methods, XPS, Auger and SIMS, are not primary methods. To address quantitative XPS, AES and SIMS results of relevant inter-laboratory comparisons organized by SAWG considering measurands as alloy surface composition and thickness of thin films will be introduced. These comparisons delivered results which are viewed to be benchmarking, some of them resulted in ISO/TC 201 standards. For quantitative XPS and AES the principal outline of an uncertainty budget will be discussed together with the audience. Another issue of quantitative XPS which definitely needs consideration are valid methods for a determination of the transmission function of the instruments and even for the emission angle in the respective experiments. Concerning the field of depth profiling it has to be investigated together with the audience whether the ISO (or ASTM) standards we have are sufficient to guarantee comparable results. Having in mind the number of different sputter ion species available today and range of samples of interest (metals, semiconductors, organic films) this might be questionable. And, how do depth profiling by AR-XPS and variable excitation energy XPS compete here? For imaging surface chemical analysis, the characterization of the imaging system is an issue to be investigated. Here the determination of lateral resolution is a relevant topic. Finally, the future needs to develop metrology for new applications e.g., ambient-pressure XPS, bio samples, and core-shell nanoparticles, will be issues raised for a discussion with the audience. T2 - 17th Topical Conference on Quantitative Surface Analysis (QSA 17) CY - Long Beach, CA, USA DA - 21.10.2018 KW - Depth Profiles and Images KW - X-ray Photoelectron Spectroscopy (XPS) KW - Auger Electron Spectroscopy (AES) KW - SIMS KW - Reproducible Spectra PY - 2018 AN - OPUS4-46470 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Metz, Christian A1 - Franz, Philipp A1 - Maierhofer, Christiane A1 - Wachtendorf, Volker A1 - Fischer, C. T1 - Active thermography for quality assurance of 3D-printed polymer structures N2 - Active thermography with flash and halogen light excitation is used as a method for non-destructive testing of 3D-printed polymer components. Test specimens with artificial defects have been generated, using laser sintering and fused layer modeling. These test specimens have been investigated in different measurement configurations with both excitation methods. Afterwards, the different measurement conditions were compared regarding their capability to detect the defects. Furthermore, advanced analysis methods are used, to fully exploit the capabilities of these techniques. T2 - 14th Quantitative InfraRed Thermography Conference CY - Berlin, Germany DA - 25.06.2018 KW - Additive manufacturing KW - Active thermography KW - Artificial weathering PY - 2018 AN - OPUS4-45387 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Metz, Christian A1 - Franz, Philipp A1 - Fischer, C. A1 - Wachtendorf, Volker A1 - Maierhofer, Christiane T1 - Active thermography for quality assurance of 3D-printed polymer structures N2 - Additively manufactured test specimens made of polyamide 12 (PA 12) by Laser Sintering (LS) as well as of acrylnitril-butadien-styrol (ABS) by Fused Layer Modeling (FLM), were tested with active thermography. For this, two different excitation methods (flash and impulse excitation) were used and compared, regarding the suitability for the detection of constructed and imprinted defects. To increase the quality of the thermograms, data processing methods like thermal signal reconstruction (TSR) and Fourier-Transformation were applied. Furthermore, the long-term stability of the probes towards environmental stress, like UV-radiation, heat, water contact and frost is being investigated in the presented project with artificial weathering tests. T2 - 14th Quantitative InfraRed Thermography Conference CY - Berlin, Germany DA - 25.06.2018 KW - Additive manufacturing KW - Active thermography KW - Artificial weathering PY - 2018 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-453919 SP - Tu.3.A.2, 1 EP - 9 AN - OPUS4-45391 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Metz, Christian A1 - Franz, Philipp A1 - Fischer, C. A1 - Wachtendorf, Volker A1 - Maierhofer, Christiane T1 - Active thermography for quality assurance of 3D-printed polymer structures N2 - Additively manufactured test specimens made of polyamide 12 (PA 12) by Laser Sintering as well as of acrylonitrile butadiene styrene (ABS) by Fused Layer Modelling, were characterised with active thermography directly after manufacturing and after artificial weathering. For this, two different excitation methods (flash and pulse heating) were used and compared, regarding their suitability for the detection of constructed and imprinted defects inside the test specimens. To increase the quality of the thermograms, data processing methods like thermal signal reconstruction (TSR) and Fourier Transformation after TSR were applied. To further investigate the long-term stability of the additively manufactured test specimens towards environmental stress, like UV radiation, heat, humidity, water contact and frost with active thermography, an artificial weathering test over 2000 hours (~3 months) was applied to the specimens. The monitoring of the changes in the optical properties of the weathered plastics was supplemented by spectral reflectance and UV/VIS spectroscopy. KW - Additive manufacturing KW - Polymers KW - Artificial weathering KW - Active thermography KW - UV/VIS spectroscopy PY - 2019 DO - https://doi.org/10.1080/17686733.2019.1686896 SN - 1768-6733 (Print) 2116-7176 (Online) VL - 18 IS - 1 SP - 50 EP - 72 PB - Taylor & Francis AN - OPUS4-49817 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Altenburg, T. A1 - Giese, S. A1 - Wang, S. A1 - Muth, Thilo A1 - Renard, B.Y. T1 - Ad hoc learning of peptide fragmentation from mass spectra enables an interpretable detection of phosphorylated and cross-linked peptides N2 - Mass spectrometry-based proteomics provides a holistic snapshot of the entire protein set of living cells on a molecular level. Currently, only a few deep learning approaches exist that involve peptide fragmentation spectra, which represent partial sequence information of proteins. Commonly, these approaches lack the ability to characterize less studied or even unknown patterns in spectra because of their use of explicit domain knowledge. Here, to elevate unrestricted learning from spectra, we introduce ‘ad hoc learning of fragmentation’ (AHLF), a deep learning model that is end-to-end trained on 19.2 million spectra from several phosphoproteomic datasets. AHLF is interpretable, and we show that peak-level feature importance values and pairwise interactions between peaks are in line with corresponding peptide fragments. We demonstrate our approach by detecting post-translational modifications, specifically protein phosphorylation based on only the fragmentation spectrum without a database search. AHLF increases the area under the receiver operating characteristic curve (AUC) by an average of 9.4% on recent phosphoproteomic data compared with the current state of the art on this task. Furthermore, use of AHLF in rescoring search results increases the number of phosphopeptide identifications by a margin of up to 15.1% at a constant false discovery rate. To show the broad applicability of AHLF, we use transfer learning to also detect cross-linked peptides, as used in protein structure analysis, with an AUC of up to 94%. KW - Mass spectrometry KW - Machine learning KW - Deep learning KW - Peptide identification PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547580 DO - https://doi.org/10.1038/s42256-022-00467-7 SN - 2522-5839 VL - 4 SP - 378 EP - 388 PB - Springer Nature CY - London AN - OPUS4-54758 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kaufmann, Jan Ole A1 - Brangsch, J. A1 - Kader, A. A1 - Saatz, Jessica A1 - Mangarova, D. B. A1 - Zacharias, M. A1 - Kempf, W. E. A1 - Schwaar, T. A1 - Wilke, Marco A1 - Adams, L. C. A1 - Möckel, J. A1 - Botnar, R. M. A1 - Taupitz, M. A1 - Mägdefessel, L. A1 - Traub, Heike A1 - Hamm, B. A1 - Weller, Michael G. A1 - Makowski, M. R. T1 - ADAMTS4-specific MR-probe to assess aortic aneurysms in vivo using synthetic peptide libraries N2 - The incidence of abdominal aortic aneurysms (AAAs) has substantially increased during the last 20 years and their rupture remains the third most common cause of sudden death in the cardiovascular field after myocardial infarction and stroke. The only established clinical parameter to assess AAAs is based on the aneurysm size. Novel biomarkers are needed to improve the assessment of the risk of rupture. ADAMTS4 (A Disintegrin And Metalloproteinase with ThromboSpondin motifs 4) is a strongly upregulated proteoglycan cleaving enzyme in the unstable course of AAAs. In the screening of a one-bead-one-compound library against ADAMTS4, a low-molecular-weight cyclic peptide is discovered with favorable properties for in vivo molecular magnetic resonance imaging applications. After identification and characterization, it’s potential is evaluated in an AAA mouse model. The ADAMTS4-specific probe enables the in vivo imaging-based prediction of aneurysm expansion and rupture. KW - Peptide KW - Peptide library KW - OBOC library KW - Combinatorial chemistry KW - Peptide aptamers KW - Binding molecule KW - Affinity KW - Synthetic peptides KW - Contrast agent KW - Magnetic resonance imaging KW - One-bead-one-compound library KW - On-chip screening KW - Lab-on-a-chip KW - MALDI-TOF MS KW - SPR KW - Surface plasmon resonance KW - Alanine scan KW - Fluorescence label KW - MST KW - Docking KW - Chelate PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-560930 DO - https://doi.org/10.1038/s41467-022-30464-8 VL - 13 IS - 1 SP - 1 EP - 18 PB - Springer Nature Limited CY - Heidelberg AN - OPUS4-56093 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Strangfeld, Christoph A1 - Bühling, Benjamin A1 - Maack, Stefan T1 - Adaption of fluidic devices for SHM of hydrogen tanks N2 - Frequency analysis of the tank during every filling Passive actuator is integrated inside filling nozzle/ pressure vessel Frequency from 5 kHz to 150 kHz Frequency sweep (Chirp) can be performed Works with every fluid: air, hydrogen, oxygen, argon, water. T2 - H2Safety Kompetenzzentrum CY - BAM Berlin, Germany DA - 07.07.2021 KW - Fluidic device KW - Structural health monitoring KW - Hydrogen tank KW - Ultrasound PY - 2021 AN - OPUS4-52930 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hassenstein, Christian A1 - Heckel, Thomas A1 - Boehm, Rainer A1 - Prager, Jens T1 - Adaptive TFM approach for turbine blade testing in an NDE 4.0 environment N2 - Turbine blades for gas turbines are exposed to extreme working conditions in a demanding environment. In-service inspection, maintenance and refurbishment of the heavily stressed parts is necessary to ensure both safety and efficiency, e.g. based on immersion ultrasound testing (UT). In the course of NDE 4.0, the European project MRO 2.0 aims to innovate the maintenance, repair and overhaul of turbine blades by linking these with modern digital methods. For this, the goal of this project is to go beyond conventional automated and manual UT testing techniques. The aim is to measure the actual geometry and wall thickness of the complex shaped parts by applying an adaptive TFM that takes into account the refraction of the ultrasonic waves at the transition from the coupling material (water) to the inspected part (steel). In this setup the phased array probe is held by a robotic arm that allows the part to be scanned while remaining mainly perpendicular to the inspected surface. In this way, even complex geometries can be inspected and a 3D model of the actual condition of the part can be created. The laboratory setup is equipped with a Vantage 64 phased array instrument from Verasonics Inc. and an industrial robot from ABB. A 64 element linear array probe operating at 10 MHz is attached to the robot. The focus is on optimizing resolution, reliability and inspection speed, as the reconstructed model will be fed to the digital twin at a later stage of the project and used for targeted repairs. In addition to enhancing the reconstruction algorithms, required probe geometry and the parameters needed to inspect turbine blades with partially thin walls and anisotropic materials will also be investigated. This talk will describe the 3-year project and present the results of the first year. The main focus will be on the development of the reconstruction algorithms used and the experimental setup. T2 - 48th Annual Review of Progress in Quantitative Nondestructive Evaluation (QNDE 2021) CY - Online meeting DA - 28.07.2021 KW - Utrasound testing KW - Turbine blade KW - Maintenance KW - Phased array KW - Automation PY - 2021 AN - OPUS4-54313 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Abraham, O. A1 - Niederleithinger, Ernst A1 - Chapeleau, X. A1 - Klikowicz, P. A1 - Brühwiler, E. A1 - Bassil, A. A1 - Wang, Xin A1 - Chakraborty, J. A1 - Bayane, I. A1 - Leduc, D. A1 - Salamak, M. A1 - Katunin, A. A1 - Sørensen, J.D. T1 - Addressing the need to monitor concrete fatigue with nondestructive testing: Results of infrastar European project N2 - Fatigue is one of the most prevalent issues, which directly influences the service life expectancy of concrete structures. Fatigue has been investigated for years for steel structures. However, recent findings suggest that concrete structures may also be significantly subjected to fatigue phenomena that could lead to premature failure of certain structural elements. To date, fatigue of reinforced concrete has been given little focus. Knowledge on the influence factors and durability/capacity effects on this material should be improved. Current technological means to measure fatigue in civil structures like bridges and wind turbines (both onshore and offshore) are outdated, imprecise and inappropriate. Meanwhile, this topic has got much more attention as time-variant loading on concrete structures plays an increasing role, e.g. in bridges with increasing traffic and heavier trucks, and for wind turbines for renewable energy production, e.g. for offshore wind turbine support structures affected by wind and waves. The European Innovative Training Networks (ITN) Marie Skłodowska-Curie Actions project INFRASTAR (Innovation and Networking for Fatigue and Reliability Analysis of Structures - Training for Assessment of Risk) provides research training for 12 PhD students. The project aims to improve knowledge for optimizing the design of new structures as well as for more realistic verification of structural safety and more accurate prediction of the remaining fatigue lifetime of existing concrete structures. First, the INFRASTAR research framework is detailed. Then it will be exemplified through the presentation of the major results of the four PhD students involved in the work package dealing with auscultation and monitoring. This includes the development and improvement of Fiber Optics (FO) and Coda Wave Interferometry (CWI) for crack sizing and imagery, new sensor technologies and integration, information management, monitoring strategy for fatigue damage investigation and lifetime prediction. T2 - SMT and NDT-CE 2018 CY - New Brunswick, NJ, USA DA - 27.08.2018 KW - Concrete KW - Fatigue KW - Crack KW - Monitoring KW - Non-destructive testing PY - 2019 UR - https://asnt.org/smt18papers SN - 978-1-57117-456-7 VL - 11/19 SP - 2 EP - 13 PB - The American Society for Nondestructive Testing, Inc. CY - Columbus, OH, USA AN - OPUS4-47237 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Beck, Uwe A1 - Hielscher-Hofinger, Stefan A1 - Hidde, Gundula A1 - Lange, Thorid A1 - Weise, Matthias A1 - Lerche, D. A1 - Rietz, U. T1 - Adhesion of Coatings vs. Strength of Composite Materials – A Review of Applications Evaluated by Centrifugal Adhesion Testing (CAT) N2 - Sufficient adhesion/tensile strength are basic requirements for any coating/composite material. For coatings, adhesive strength in N/mm2 is of Major interest for various applications such as decorative and water-repellent coatings on wood (paints and varnishes), optical coatings on glass and polymers (reflectors and filters), electrical coatings on semiconductors, glass and polymers (conducting and bondable layers), mechanical coatings on metals and polymers (wear-reduction, scratch-resistance) and adhesion-promoting layers. For composite materials, tensile strength in N/mm2 is also a key quantity for carbon fiber reinforced composites (CFC), laminates and adhesive-bonded joints. Centrifugal adhesion testing (CAT) transfers the single-sample tensile test from a tensile or universal testing machine into an analytical centrifuge as multiple-sample test of up to eight test pieces. The one-sided sample support instead of a two-sided sample clamping and the absence of mounting- and testing-correlated shear forces provides fast and reliable results both for adhesive strength and bonding strength by means of bonded test stamps. For bonding strength, the evaluation of failure pattern from microscopic inspection is required in order to determine the failure pattern according to ISO 10365 such as adhesive failure (AF), delamination failure (DF) and cohesive failure (CF). Hence, one test run by CAT-technology provides either statistics or ranking of up to eight samples at once. For adhesive strength of coatings, a variety of examples is discussed such as ALD-Al203 layers as adhesion promoters, evaporated Ag-layers on N-BK7 glass, sputtered Cr- and Al-layers on Borofloat 33 glass, evaporated Au-films on N-BK7 glass and sputtered SiO2 -layers on CR39 Polymer. Provided adhesive or bonding strength are high enough, the substrate or the joining part may also fail. T2 - Special PSE 2020 CY - Online meeting DA - 07.09.2020 KW - Centrifugal adhesion testing (CAT) KW - Adhesive strength KW - Pull-off test KW - Failure pattern KW - Compound strength PY - 2020 AN - OPUS4-51231 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Samaitis, V. A1 - Yilmaz, Bengisu A1 - Jasiuniene, E. T1 - Adhesive bond quality classification using machine learning algorithms based on ultrasonic pulse-echo immersion data N2 - In this study, we explored the detection of weak bonds (WBs) due to contamination and faulty curing (FC) using linear ultrasound and machine learning. For this purpose, aluminium single-lap adhesive joints containing three variants of bonding quality were investigated: perfect bond, WB due to release agent (RA) contamination, and WB due to FC. The data, according to the deviation of the bonding protocol, were arranged in two groups, creating two datasets: distinct and complete. Each dataset included all bonding conditions (perfect, RA, and FC), although the distinct dataset contained only marginal cases, which were expected to be well separable, whereas the complete dataset included data with minor deviations from the bonding protocol. Pulse-echo C-scan images were acquired for all prepared samples in the immersion tank, and 45 features were initially extracted from the time traces representing each bonding group. The initial data were analysed via a t-test and pairwise correlation analysis to reveal statistically significant features. Then, we performed dimensionality reduction using tree-based, recursive, sequential, and linear discriminant analysis (LDA) feature selectors to explore feature importance and classification accuracy with different feature subsets. Finally, the important features identified with the different feature selectors were fed to support vector machine (SVM) classifiers, and the classification accuracies were compared amongst the different feature subsets. The classification accuracy using a distinct dataset in some cases demonstrated nearly 99% accuracy, indicating that significant bonding protocol deviations could be easily detected. It was demonstrated that classification accuracy increased with the number of features. However, even in the case of the 2D feature space obtained using linear discriminant analysis, the bonding quality classification accuracy remained higher than 84%. The feature subspace reduction with LDA demonstrated sufficient classification accuracy and an improvement of nearly 40% in training time compared with that for the initial feature set. Thus, the classical ultrasonic pulse-echo C-scan with an LDA feature transformation and SVM classifier could be used to identify the deviations in the bonding protocol in aluminium single-lap adhesive joints. KW - Adhesive bonding KW - Defect characterisation KW - Machine learning KW - Ultrasonic imaging PY - 2023 DO - https://doi.org/10.1016/j.jsv.2022.117457 VL - 546 SP - 1 EP - 18 PB - Journal of Sound and Vibration AN - OPUS4-56569 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bayerlein, Bernd A1 - Schilling, Markus A1 - Z.-Jan, G.-A. A1 - Hanke, T. A1 - v. Hartrott, P. A1 - Fliegener, S. A1 - Kryeziu, J. A1 - Waitelonis, J. A1 - Sack, H. A1 - Skrotzki, Birgit T1 - Adopting FAIR data practices in materials science: Semantic representation of a quantitative precipitation analysis N2 - Many metallic materials gain better mechanical properties through controlled heat treatments. For example, in age-hardenable aluminium alloys, the strengthening mechanism is based on the controlled formation of nanometre-sized precipitates, which represent obstacles to dislocation movement and consequently increase the strength. Precise tuning of the material microstructure is thus crucial for optimal mechanical behaviour under service condition of a component. Therefore, analysis of the microstructure, especially the precipitates, is essential to determine the optimum parameters for the interplay of material and heat treatment. Transmission electron microscopy (TEM) is utilized to identify precipitate types and orientations in the first step. Dark-field imaging (DF-TEM) is often used to image the precipitates and thereafter quantify their relevant dimensions. Often, these evaluations are still performed by manual image analysis, which is very time-consuming and to some extent also poses reproducibility problems. Our work aims at a semantic representation of an automatable digital approach for this material specific characterization method under adaption of FAIR data practices. Based on DF-TEM images of different precipitation states of a wrought aluminium alloy, the modularizable, digital workflow of quantitative analysis of precipitate dimensions is described. The integration of this workflow into a data pipeline concept will also be discussed. Using ontologies, the raw image data, their respective contextual information, and the resulting output data of the quantitative image analysis can be linked in a triplestore. Publishing the digital workflow and the ontologies will ensure data reproducibility. In addition, the semantic structure enables data sharing and reuse for other applications and purposes, demonstrating interoperability. T2 - FEMS EUROMAT 2023 CY - Frankfurt a. M., Germany DA - 03.09.2023 KW - Semantic Representation KW - FAIR data management KW - Quantitative Precipitation Analysis KW - Knowledge graph and ontologies PY - 2023 AN - OPUS4-58199 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mirtsch, Mona T1 - Adoption of the information security management system standard ISO/IEC 27001 - A study among German organizations N2 - Against the backdrop of numerous security breaches and cyber-attacks, organizations need to take measures to secure their data and information. However, the well-known management system standard ISO/IEC 27001 for information security has shown a lower adoption rate – in terms of annual ISO survey data – than was previously expected by scholars and practitioners. Through the lens of Rogers' diffusion of innovation theory, we consider the adoption of ISO/IEC 27001 as a 'preventive innovation' and aim to identify factors that help gain a better understanding of its adoption. Therefore, we conducted a survey among German organizations on the use and impact of management system standards, explicitly distinguishing between organizations that implement ISO/IEC 27001 and those that are additionally certified against this standard. This study provides insights and contributes to an advanced understanding of motives, impacts, barriers, and useful measures to increase adoption of ISO/IEC 27001. Our findings may be useful to organizations considering the adoption of this management system standard, to certification bodies providing certification services, and to policymakers seeking means to improve information security in organizations. KW - Management science and operations research KW - ISO/IEC 27001 KW - Management system standard KW - Information security KW - QI-FoKuS KW - Certification PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594704 UR - http://ijqr.net/paper.php?id=1098 DO - https://doi.org/10.24874/ijqr17.03-08 SN - 1800-6450 SN - 1800-7473 VL - 17 IS - 3 SP - 747 EP - 768 PB - Center for Quality, University of Montenegro CY - Podgorica AN - OPUS4-59470 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Junge, Florian A1 - Wittwer, Philipp A1 - Sommerfeld, Thomas A1 - Gehrenkemper, Lennart A1 - Zoister, Christian A1 - Nickl, Philip A1 - Koch, Matthias A1 - Meermann, Björn A1 - Haag, Rainer T1 - Adsorber Charge Dominates over Hydrophobic or Fluorophilic Functionalization in Influencing Adsorption of PFCA onto Polystyrene Resins N2 - A systematic series of industrial-relevant polystyrene-based anion exchange resins that are functionalized with hydro- or fluorocarbon chains are compared regarding their adsorption behavior toward perfluorocarboxylic acids (PFCA) in respect to their charge, chain length, and type of chain. The results clearly show the dominance of electrostatic interactions in the adsorption process as uncharged adsorber materials showed no adsorption at all. In contrast, the charged adsorber materials showed in general a PFCA removal of 80% to 30% over the experiment depending on effluent fraction. Unexpectedly, for perfluorobutanoic acid (PFBA) the highest removal rate is found with consistently >90%. Despite observing significant benefits in the adsorption of PFCA for fluoroalkylated adsorbers in comparison to their non-fluorinated counterparts, this effect of fluoroalkylation is comparatively small and can not be clearly attributed to fluorophilic interactions between the fluoroalkyl chains. These findings help clarifying that the introduction of fluorocarbon moieties in adsorber materials is not necessary in order to remove fluorocarbon molecules from the environment. KW - PFAS KW - Remediation KW - Adsorption KW - Fluorophilic interactions PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-601883 DO - https://doi.org/10.1002/admi.202400199 SN - 2196-7350 SP - 1 EP - 10 PB - John Wiley & Sons CY - Hoboken, New Jersey, USA AN - OPUS4-60188 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Perez, Jeffey Paulo H. A1 - Tobler, Dominique J. A1 - Thomas, Andrew N. A1 - Freeman, Helen M. A1 - Dideriksen, Knud A1 - Radnik, Jörg A1 - Benning, Liane G. T1 - Adsorption and reduction of arsenate during the Fe2+-induced transformation of ferrihydrite N2 - Iron (oxyhydr)oxides play an important role in controlling the mobility and toxicity of arsenic (As) in contaminated soils and groundwaters. However, dynamic subsurface geochemical conditions can potentially impact As sequestration since this is highly dependent on the dominant iron mineral phases present and the pathways through which they form. In this study, we investigated the Fe2+-induced transformation of As(V)-bearing ferrihydrite (As-FH) to more crystalline phases under relevant anoxic subsurface conditions. Specifically, we examined the influence of varying Fe2+(aq)/Fe(III)solid¬ ratios on the behavior and speciation of the mineral-bound As species during the mineralogical transformation of As-FH at pH 6.5 for 24 h. At lower Fe2+(aq)/Fe(III)solid¬ ratios (0.5 to 1), goethite, green rust sulfate (GR¬SO4) and lepidocrocite formed within the first 2 hours of the reaction, but only goethite and some unreacted FH remained after 24 h. At Fe2+(aq)/Fe(III)solid¬ ratio = 2, GRSO4 remained stable throughout the 24 h reaction, alongside goethite and unreacted FH. Despite >82% of the As-FH being transformed to goethite  GRSO4 in these reactions, no significant As release (>99.9% removal) was observed. However, while As remained mineral-bound, partial oxidation of the initially added As(V) was reduced to As(III), most likely, by the goethite-Fe2+(aq) redox couple. The extent of As(V) reduction increased from ~40% to ~50%, as the Fe2+(aq)/Fe(III)solid¬ ratio increased from 0.5 to 2. Overall, these results provide important insights into transformation pathways of iron (oxyhydr)oxide minerals in As contaminated, anoxic soils and sediments, and also demonstrate the great impact these can have on As oxidation state and, hence, toxicity and mobility in these environments. KW - Ferrihydrite KW - Mineral tranformation KW - XPS KW - Green rust KW - Goethite KW - XAS PY - 2019 DO - https://doi.org/10.1021/acsearthspacechem.9b00031 SN - 2472-3452 VL - 3 IS - 6 SP - 884 EP - 894 PB - ACS AN - OPUS4-48436 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -