TY - JOUR A1 - Santi, Alberto A1 - Schröder, Jakob A1 - Serrano-Munoz, Itziar A1 - Bayat, Mohamad A1 - Hattel, Jesper Henri T1 - Exploring the Flash Heating method in additive manufacturing for residual stress prediction: A comparative study with diffraction results from X-ray and neutron techniques N2 - Residual stress (RS) control is crucial for ensuring the performance and reliability of components produced through laser-based powder bed fusion (PBF-LB) additive manufacturing (AM). This study evaluates the Flash Heating (FH) method as an efficient approach for RS prediction, comparing its outcomes with multiple experimental techniques, including X-ray diffraction, neutron diffraction, and layer removal methods. These experimental assessments are conducted in different regions of the component, both before and after detachment from the baseplate. The study validates the FH method and analyzes key numerical parameters, such as meta-layer height, contact time, and time-stepping strategies. Results indicate that FH effectively predicts bulk RS distributions but shows discrepancies in surface stress estimations, likely due to unaccounted factors like surface roughness. Additionally, implementing experimentally derived material properties from as-built AM samples significantly enhances model accuracy compared to conventional material datasets. These findings underscore the potential of FH for efficient RS prediction in PBF-LB while identifying areas for further improvement. Refinements should focus on incorporating anisotropic, temperature-dependent material behavior derived from as-built AM samples and surface roughness effects. This work advances the understanding of key factors necessary for accurate and computationally efficient RS prediction, supporting the optimization of AM processes. KW - Finete element method KW - Inconel 718 KW - Metal additive manufacturing KW - Residual stress KW - Thermomechanics PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-639533 DO - https://doi.org/10.1080/01495739.2025.2541862 SN - 0149-5739 SP - 1 EP - 24 PB - Taylor & Francis AN - OPUS4-63953 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Santos, C.I.L. A1 - Machado, W.S. A1 - Wegner, Karl David A1 - Gontijo, L.A.P. A1 - Bettini, J. A1 - Schiavon, M.A. A1 - Reiss, P. A1 - Aldakov, D. T1 - Hydrothermal Synthesis of Aqueous-Soluble Copper Indium Sulfide Nanocrystals and Their Use in Quantum Dot Sensitized Solar Cells N2 - facile hydrothermal method to synthesize water-soluble copper indium sulfide (CIS) nanocrystals (NCs) at 150 degrees C is presented. The obtained samples exhibited three distinct photoluminescence peaks in the red, green and blue spectral regions, corresponding to three size fractions, which could be separated by means of size-selective precipitation. While the red and green emitting fractions consist of 4.5 and 2.5 nm CIS NCs, the blue fraction was identified as in situ formed carbon nanodots showing excitation wavelength dependent emission. When used as light absorbers in quantum dot sensitized solar cells, the individual green and red fractions yielded power conversion efficiencies of 2.9% and 2.6%, respectively. With the unfractionated samples, the efficiency values approaching 5% were obtained. This improvement was mainly due to a significantly enhanced photocurrent arising from complementary panchromatic absorption. KW - Aqueous quantum dot KW - Solar cells KW - CUINS2 nanocrystals KW - Colloidal semiconductor nanocrystals PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-517983 DO - https://doi.org/10.3390/nano10071252 VL - 10 IS - 7 SP - 1252 PB - MDPI AN - OPUS4-51798 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Santos de Freitas, M. A1 - Araghi, R. R. A1 - Brandenburg, E. A1 - Leiterer, Jork A1 - Emmerling, Franziska A1 - Folmert, K. A1 - Gerling-Driessen, U. I. M. A1 - Bardiaux, B. A1 - Böttcher, C. A1 - Pagel, K. A1 - Diehl, A. A1 - v. Berlepsch, H. A1 - Oschkinat, H. A1 - Koksch, B. T1 - The protofilament architecture of a de novo designed coiled coil-based amyloidogenic peptide N2 - Amyloid fibrils are polymers formed by proteins under specific conditions and in many cases they are related to pathogenesis, such as Parkinson’s and Alzheimer’s diseases. Their hallmark is the presence of a β-sheet structure. High resolution structural data on these systems as well as information gathered from multiple complementary analytical techniques is needed, from both a fundamental and a pharmaceutical perspective. Here, a previously reported de novo designed, pH-switchable coiled coil-based peptide that undergoes structural transitions resulting in fibril formation under physiological conditions has been exhaustively characterized by transmission electron microscopy (TEM), cryo-TEM, atomic force microscopy (AFM), wide-angle X-ray scattering (WAXS) and solid-state NMR (ssNMR). Overall, a unique 2-dimensional carpet-like assembly composed of large coexisiting ribbon-like, tubular and funnel-like structures with a clearly resolved protofilament substructure is observed. Whereas electron microscopy and scattering data point somewhat more to a hairpin model of β-fibrils, ssNMR data obtained from samples with selectively labelled peptides are in agreement with both, hairpin structures and linear arrangements. KW - Amyloid KW - Elektronenmikroskopie PY - 2018 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-458713 UR - https://www.sciencedirect.com/science/article/pii/S1047847718301333 DO - https://doi.org/10.1016/j.jsb.2018.05.009 SN - 1047-8477 VL - 203 IS - 3 SP - 263 EP - 272 PB - Elsevier AN - OPUS4-45871 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sarhan, R. M. A1 - Koopman, W. A1 - Schuetz, R. A1 - Schmid, Thomas A1 - Liebig, F. A1 - Koetz, J. A1 - Bargheer, M. T1 - The importance of plasmonic heating for the plasmondriven photodimerization of 4-nitrothiophenol N2 - Metal nanoparticles form potent nanoreactors, driven by the optical generation of energetic electrons and nanoscale heat. The relative influence of these two factors on nanoscale chemistry is strongly debated. This article discusses the temperature dependence of the dimerization of 4-nitrothiophenol (4-NTP) into 4,4′-dimercaptoazobenzene (DMAB) adsorbed on gold nanoflowers by Surface-Enhanced Raman Scattering (SERS). Raman thermometry shows a significant optical heating of the particles. The ratio of the Stokes and the anti-Stokes Raman signal moreover demonstrates that the molecular temperature during the reaction rises beyond the average crystal lattice temperature of the plasmonic particles. The product bands have an even higher temperature than reactant bands, which suggests that the reaction proceeds preferentially at thermal hot spots. In addition, kinetic measurements of the reaction during external heating of the reaction environment yield a considerable rise of the reaction rate with temperature. Despite this significant heating effects, a comparison of SERS spectra recorded after heating the sample by an external heater to spectra recorded after prolonged illumination shows that the reaction is strictly photo-driven. While in both cases the temperature increase is comparable, the dimerization occurs only in the presence of light. Intensity dependent measurements at fixed temperatures confirm this finding. KW - Nanoparticles KW - Plasmonic heating KW - Raman spectroscopy PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-475140 DO - https://doi.org/10.1038/s41598-019-38627-2 SN - 2045-2322 VL - 9 IS - 1 SP - 3060, 1 EP - 8 PB - Nature Publishing Group AN - OPUS4-47514 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sarma, Dominik A1 - Carl, Peter A1 - Climent Terol, Estela A1 - Schneider, Rudolf A1 - Rurack, Knut T1 - Multifunctional polystyrene core/silica shell microparticles with antifouling properties for bead-based multiplexed and quantitative analysis N2 - Commercial bead-based assays are commonly built upon polystyrene particles. The polymeric carrier can be encoded with organic dyes and has ideal material properties for cytometric applications such as low density and high refractive index. However, functional groups are conventionally integrated during polymerization and subsequent modification is limited to the reactivity of those groups. Additionally, polystyrene as the core material leads to many hydrophobic areas still being present on the beads’ surfaces even after functionalization, Rendering the particles prone to nonspecific adsorption during an application. The latter calls for several washing steps and the use of additives in (bio)analytical assays. In this contribution, we show how these limitations can be overcome by using monodisperse polystyrene (PS) core/silica (SiO2) shell particles (SiO2@PS). Two different hydrophobic BODIPY (boron−dipyrromethene) dyes were encapsulated inside a poly(vinylpyrrolidone) (PVP) -stabilized polystyrene core in different concentrations to create 5-plex arrays in two separate detection channels of a cytometer. A subsequent modification of the silica shell with an equimolar APTES/PEGS (aminopropyltriethoxysilane/polyethylene glycol silane) blend added multifunctional properties to the hybrid core/Shell microparticles in a single step: APTES provides amino groups for the attachment of a caffeine derivative (as a hapten) to create antigen-coupled microspheres; the PEG moiety effectively suppresses nonspecific binding of antibodies, endowing the surface with antifouling properties. The particles were applied in a competitive fluorescence immunoassay in suspension, and a highly selective wash-free assay for the detection of caffeine in beverages was developed as a proof of concept. KW - Core−shell particles KW - Bead-based assay KW - Multiplex KW - Antifouling surface KW - Mixed surface PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-472931 UR - https://pubs.acs.org/doi/10.1021/acsami.8b10306 DO - https://doi.org/10.1021/acsami.8b10306 SN - 1944-8244 VL - 11 IS - 1 SP - 1321 EP - 1334 PB - American Chemical Society CY - Online Library AN - OPUS4-47293 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sathiyamani, S. A1 - Ngiam, S. A1 - Bonnerot, O. A1 - Jaengsawang, S. A1 - Panarut, P. A1 - Helman-Wazny, Agnieszka A1 - Colini, C. T1 - Material Characterisation of 19–20th Century Manuscripts from Northern Thailand N2 - Material analysis was carried out on four manuscripts from Northern Thailand, which included two palm-leaf manuscripts and two paper manuscripts. The two palm-leaf manuscripts MS 6 and MS 7 were found to have been written in the traditional method, wherein text was incised on the surface of the leaves, and then soot applied to the surfaces, confirmed by the identification of carbon ink. MS 7 additionally showed the presence of trace levels of iron in the ink, either from soot paste or from the stylus used for inscribing. The paper manuscript MS 3 was written in iron-gall ink, with sections written using a methyl-violet based ink while MS 4 was written in carbon ink. The paper used in the case of MS 3 was found to be machine made, while khoi fibres (Streblus asper) were used for making the paper used for MS 4. A combination of traditional and modern pigments, like molybdenum orange, was used for decorating the edges and cover. The results improved our understanding of these manuscripts in particular, and also provided us with insights about the rapid adoption of modern materials and their incorporation into the production of written artefacts from Northern Thailand in the late 19th and early 20th centuries. KW - Materials analysis KW - Paper manuscript KW - Palm-leaf manuscript KW - Writing inks PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652586 DO - https://doi.org/10.1515/res-2023-0028 SN - 0034-5806 VL - 45 IS - 2-3 SP - 117 EP - 140 PB - Walter de Gruyter GmbH AN - OPUS4-65258 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sauer, Hannah A1 - Okpeke, Bright E. A1 - Dzielendziak, Agnieszka S. A1 - Eberwein, Robert A1 - Baetcke, Lars A1 - Ehlers, Sören T1 - Comparative life cycle assessment of vacuum insulation panel core materials for liquid hydrogen storage tanks – glass bubbles compared to conventional core materials N2 - The environmental performance of insulation materials for liquid hydrogen storage tank application is important to the development of sustainable supply chains. As new materials keep evolving, there is a need to assess their environmental impact. Therefore, this study investigates the environmental sustainability and circularity of cryogenic insulation concepts, namely vacuum insulation panels (VIPs), exclusively focussing on their core materials. Employing a cradle-to-grave life cycle assessment model, the VIP core materials are investigated with a special focus on glass bubbles. Based on the results, the global warming potential of the considered core materials, namely, glass bubbles, silica aerogel, fumed silica, expanded perlite, glass fibre, and polyurethane foam is 9.21∗10^−2, 7.00, 2.50∗10^−1, 3.63∗10^−2, 6.68∗10^−2, and 1.88 kg CO2 eq. per functional unit, respectively. In general, silica aerogel and polyurethane foam are the least environmentally friendly materials, while the most sustainable is expanded perlite, followed by glass fibre, glass bubbles, and fumed silica. KW - LH2 KW - Insulation KW - Cryogenic storage tank KW - Life Cycle Assessment PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-655445 DO - https://doi.org/10.1016/j.ijhydene.2026.153937 SN - 0360-3199 VL - 219 SP - 1 EP - 11 PB - Elsevier Ltd. AN - OPUS4-65544 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sauermoser-Yri, M. A1 - Veldurthi, N. A1 - Wölfle, C. H. A1 - Svartvatn, P. J. A1 - Flo Hoem, S. O. A1 - Lid, M. J. A1 - Bock, Robert A1 - Palko, J. A1 - Torgersen, J. T1 - On the porosity-dependent permeability and conductivity of triply periodic minimal surface based porous media N2 - With the fast development in the field of additive manufacturing, triply periodic minimal surface (TPMS) based porous media have recently found many uses in mechanical property tuning. However, there is still a lack of understanding in their porosity-dependent permeability and electrical as well as thermal conductivity. Here, we perform finite volume simulations on the solid and void domains of the Schoen gyroid (SG), Schwarz primitive (SP) and Schwarz primitive beam (SPB) TPMS with porosities between 63% and 88% in Ansys Fluent. A simple cubic lattice (CL) of equivalent porosity served as reference. The SPB and CL showed up to one order of magnitude higher permeabilities than the SG and SP. However, SG and SP have about 1.3 and 2.6 times the electrical and thermal conductivity of SPB and CL, respectively. Furthermore, the properties of SPB and CL are largely affected by the surface area density, whereas tortuosity variation does not impact permeability and conductivity to a major extent. Finally, empirical relations are adapted to describe the presented data and thus, they may enable future designers of TPMS based porous structures to fine-tune the geometries according to the requirements on permeability and electrical as well as thermal conductivity. KW - Metals and Alloys KW - Surfaces, Coatings and Films KW - Biomaterials KW - Ceramics and Composites PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-585250 DO - https://doi.org/10.1016/j.jmrt.2023.09.242 SN - 2238-7854 VL - 27 SP - 585 EP - 599 PB - Elsevier B.V. AN - OPUS4-58525 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Savitsky, Viktor A1 - Schmies, Lennart A1 - Gumenyuk, Andrey A1 - Rethmeier, Michael T1 - Comparative performance of DIC and optical flow algorithms for displacement and strain analysis in laser beam welding N2 - The measurement of strain and displacement in the context of the welding process represents a significant challenge. Optical methods, such as digital image correlation (DIC) or optical flow algorithms, have demonstrated their efficacy in robust and reliable data acquisition in harsh environments, including those encountered in welding processes. Concurrently, a trade-off between the accuracy of the measurement and the computational resources required for the associated calculations must be evaluated on a case-by-case basis. The application of filters to initial images represents a technique that serves to enhance the quality and accuracy of the strain and displacement prediction. In the present study, the estimated error of two algorithms, namely the Lucas-Kanade (LK) and the inverse compositional Gauss-Newton (IC-GN), is compared on the basis of both synthetic and real welding images. The displacement field is evaluated for different zones in the laser weld seam with varying contrast performance. Based on the aforementioned results, a strain calculation was conducted for both methods, which yielded comparable results for the LK and IC-GN algorithms. KW - Laser speckle KW - DIC KW - Optical flow KW - Error estimation KW - Strain measurement KW - Laser beam welding PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625919 DO - https://doi.org/10.1016/j.optlaseng.2025.108870 SN - 1873-0302 VL - 187 SP - 1 EP - 15 PB - Elsevier Ltd. AN - OPUS4-62591 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Scacco, F. A1 - Zerbst, Uwe A1 - Meneghetti, G. A1 - Madia, Mauro T1 - Comparison between PSM and IBESS approaches for the fatigue life estimation of weldments N2 - In the framework of the fatigue assessment of welded components, several methods are available in design standards such as the nominal stress, hot-spot stress, notch stress and linear elastic fracture mechanics approaches. The present paper aims at comparing two advanced local approaches for the fatigue strength assessment of different welded joints made of steel. The first one is IBESS which is based on short crack fracture mechanics. The second one is the PSM which instead involves the strain energy density approach. Both methods will be briefly presented, and the fatigue life prediction results discussed. The results obtained for the joint geometries considered in this work show advantages and drawbacks of the approaches, which are thoroughly analysed as well. KW - Fatigue KW - Welded joints KW - FAT class KW - IBESS KW - Peak stress method (PSM) KW - Finite element (FE) PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-545139 DO - https://doi.org/10.1007/s40194-022-01284-7 SP - 1 EP - 23 PB - Springer AN - OPUS4-54513 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Scales, B. S. A1 - Hasenrück, C. A1 - Moldaenke, L. A1 - Hassa, J. A1 - Rückert-Reed, C. A1 - Rummel, C. A1 - Völkner, C. A1 - Rynek, R. A1 - Busche, T. A1 - Kalinowski, J. A1 - Jahnke, A. A1 - Schmitt-Jansen, M. A1 - Wendt-Potthoff, K. A1 - Oberbeckmann, Sonja T1 - Hunting for pigments in bacterial settlers of the Great Pacific Garbage Patch N2 - The Great Pacific Garbage Patch, a significant collection of plastic introduced by human activities, provides an ideal environment to study bacterial lifestyles on plastic substrates. We proposed that bacteria colonizing the floating plastic debris would develop strategies to deal with the ultravioletexposed substrate, such as the production of antioxidant pigments. We observed a variety of pigmentation in 67 strains that were directly cultivated from plastic pieces sampled from the Garbage Patch. The genomic analysis of four representative strains, each distinct in taxonomy, revealed multiple pathways for carotenoid production. These pathways include those that produce less common carotenoids and a cluster of photosynthetic genes. This cluster appears to originate from a potentially new species of the Rhodobacteraceae family. This represents the first report of an aerobic anoxygenic photoheterotrophic bacterium from plastic biofilms. Spectral analysis showed that the bacteria actively produce carotenoids, such as betacarotene and beta-cryptoxanthin, and bacteriochlorophyll a. Furthermore, we discovered that the genetic ability to synthesize carotenoids is more common in plastic biofilms than in the surrounding water communities. Our findings suggest that plastic biofilms could be an overlooked source of bacteria-produced carotenoids, including rare forms. It also suggests that photoreactive molecules might play a crucial role in bacterial biofilm communities in surface water. KW - Microplastics KW - Biofilm KW - Pigment KW - Microorganisms PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-605725 DO - https://doi.org/10.1111/1462-2920.16639 SN - 1462-2912 VL - 26 IS - 6 SP - e16639 PB - John Wiley & Sons Ltd. AN - OPUS4-60572 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schackmann, Oliver A1 - Márquez Reyes, Octavio A. A1 - Memmolo, Vittorio A1 - Lozano, Daniel A1 - Prager, Jens A1 - Moll, Jochen A1 - Kraemer, Peter T1 - Machine learning strategies with ensemble voting for ultrasonic damage detection in composite structures under varying temperature or load conditions N2 - In recent years, the development of machine learning (ML) techniques has led to significant progress in the field of structural health monitoring with ultrasonic-guided waves. However, a number of challenges still need to be resolved for reliable operation in realistic settings. In this work, we consider the complex problem of experimental damage detection under varying temperature or load conditions where damage locations are not included in the training set. The ML techniques proposed here include supervised and unsupervised methods originally developed for image and time series classification combined with ensemble voting. A performance demonstration of the ML techniques is presented using benchmark datasets from the open-guided waves platform. The unsupervised approach is then applied to a new dataset from an experimental campaign carried out on a composite over-wrapped pressure vessel used for hydrogen storage with real defects. Results show that ensemble voting enables the effective combination of the predictions of multiple transducer pairs, even with a limited number of strong individual classifiers. When applied to unsupervised learning, this returns high accuracy also when real damage over the structure is considered. KW - Structural-Health-Monitoring KW - Ultrasonic guided waves PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-631571 DO - https://doi.org/10.1177/14759217251333066 SN - 1741-3168 SP - 1 EP - 19 PB - Sage Publications AN - OPUS4-63157 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schalau, Sebastian A1 - Habib, Abdel Karim T1 - Atmospheric wind field modelling with OpenFOAM for near-ground gas dispersion N2 - CFD simulations of near-ground gas dispersion depend significantly on the accuracy of the wind field. When simulating wind fields with conventional RANS turbulence models, the velocity and turbulence profiles specified as inlet boundary conditions change rapidly in the approach flow region. As a result, when hazardous materials are released, the extent of hazardous areas is calculated based on an approach flow that differs significantly from the boundary conditions defined. To solve this problem, a turbulence model with consistent boundary conditions was developed to ensure a horizontally homogeneous approach flow. Instead of the logarithmic vertical velocity profile, a power law is used to overcome the problem that with the logarithmic profile, negative velocities would be calculated for heights within the roughness length. With this, the problem that the distance of the wall-adjacent cell midpoint has to be higher than the roughness length is solved, so that a high grid resolution can be ensured even in the near-ground region which is required to simulate gas dispersion. The evaluation of the developed CFD model using the German guideline VDI 3783/9 and wind tunnel experiments with realistic obstacle configurations showed a good agreement between the calculated and the measured values and the ability to achieve a horizontally homogenous approach flow. KW - OpenFOAM KW - Gas dispersion KW - Atmospheric boundary layer KW - Turbulence model PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-539095 DO - https://doi.org/10.3390/atmos12080933 VL - 12 IS - 8 SP - 933 PB - MDPI AN - OPUS4-53909 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schalau, Sebastian A1 - Habib, Abdel Karim A1 - Michel, S. T1 - A modified k-ε turbulence model for heavy gas dispersion in built-up environment N2 - For hazard assessment purposes, the dispersion of gases in complex urban areas is often a scenario to be considered. However, predicting the dispersion of heavy gases is still a challenge. In Germany, the VDI Guideline 3783, Part 1 and 2 is widely used for gas dispersion modelling. Whilst Part 1 uses a gauss model for calculating the dispersion of light or neutrally buoyant gases, Part 2 uses wind tunnel experiments to evaluate the heavier-than-air gas dispersion in generic built up areas. In practice, with this guideline, it is often not possible to adequately represent the existing obstacle configuration. To overcome this limitation, computational fluid dynamics (CFD) methods could be used. Whilst CFD models can represent obstacles in the dispersion area correctly, actual publications show that there is still further research needed to simulate the atmospheric flow and the heavy gas dispersion. This paper presents a modified k-ε-turbulence model that was developed in OpenFOAM v5.0 (England, London, The OpenFOAM Foundation Ltd Incorporated) to enhance the simulation of the atmospheric wind field and the heavy gas dispersion in built-up areas. Wind tunnel measurements for the dispersion of neutrally buoyant and heavy gases in built-up environments were used to evaluate the model. As a result, requirements for the simulation of the gas dispersion under atmospheric conditions have been identified and the model showed an overall good performance in predicting the experimental values. KW - Atmospheric boundary layer KW - OpenFOAM KW - Heavy gas KW - CFD PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-568898 DO - https://doi.org/10.3390/atmos14010161 VL - 14 IS - 1 SP - 1 EP - 21 PB - MDPI AN - OPUS4-56889 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schannor, Mathias A1 - Oelze, Marcus A1 - Traub, Heike A1 - He, Yubei A1 - Schmidt, Robin A1 - Heidemann, Luisa A1 - Savic, Lynn Jeanette A1 - Vogl, Jochen A1 - Meermann, Björn T1 - Advancing Biomarker Research: In Situ Cu Isotope Analysis in Liver Tumors by LA-MC-ICP-MS N2 - Stable metal isotopes have received increasing attention as medical biomarkers due to their potential to detect changes in metal metabolism related to diseases. In particular, copper stable isotopes are a powerful tool to identify isotopic variation between tumors and healthy tissue, suggesting application in cancer diagnosis. However, potential mechanisms causing isotope fractionation, such as redox- or bond-forming reactions and interactions of metals during transmembrane import and export, are less well understood. Here, we established an in situ method using laser ablation-multicollector-inductively coupled plasma-mass spectrometry (LA-MC-ICP-MS) to advance our understanding of the underlying processes responsible for isotope fractionation between normal and diseased tissues. Gelatin-based bracketing standards and quality control reference materials, crucial for laser ablation analysis, were developed to allow correction for instrumentally induced isotope fractionation during LA-MC-ICP-MS analysis. Using such matrix-matched standards, the method achieved intermediate precisions for delta values of better than 0.15 ‰ (2 s) for inorganic reference materials and of better than 0.17 ‰ (2 s) for biological reference materials. The developed routine was tested on rabbit VX2 liver tumor samples, a model system resembling human hepatocellular carcinoma (HCC) used to study liver cancer. In situ Cu isotope compositions between healthy (𝛿65/63NIST976(Cu) = −1.5 ‰ to 0.2 ‰) and tumorous (𝛿65/63NIST976(Cu) = 0.0 ‰ to 1.3 ‰) liver tissue show distinct differences in their isotope ratios. The observed isotopic dichotomy is consistent with previous solution-based MC-ICP-MS work, showing enrichment of heavy 65Cu in cancer biopsies relative to healthy tissue. KW - Biomarker KW - Laser Ablation KW - Reference Material PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626865 DO - https://doi.org/10.1021/acs.analchem.4c05626 SN - 1520-6882 VL - 97 IS - 8 SP - 4425 EP - 4432 PB - American Chemical Society (ACS) AN - OPUS4-62686 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schardt, Annika A1 - Schmitt, Johannes A1 - Engelhard, Carsten T1 - Single particle inductively coupled plasma mass spectrometry with nanosecond time resolution N2 - In this proof-of-principle study, we present our contribution to single particle inductively coupled plasma mass spectrometry (spICP-MS) developments with a novel in-house built data acquisition system with nanosecond time resolution (nanoDAQ) and a matching data processing approach. The new system can continuously sample the secondary electron multiplier (SEM) detector signal and enables the detection of gold nanoparticles (AuNP) as small as 7.5 nm with the commercial single quadrupole ICP-MS instrument used in this study. Recording of the SEM signal by the nanoDAQ is performed with a dwell time of approximately 4 ns. A tailored method was developed to process this type of transient data, which is based on determining the temporal distance between detector events that is denoted as event gap (EG). We found that the inverse logarithm of EG is proportional to the particle size and that the number of detector events corresponding to a particle signal distribution can be used to calibrate and determine the particle number concentration (PNC) of a nanoparticle dispersion. Due to the high data acquisition frequency, a statistically significant number of data points can be obtained in 60 s or less and the main time limitation for analyses is merely the sample uptake time and rinsing step between analyte solutions. At this stage, the data processing method provides average information on complete data sets only and will be adapted to enable particle-by-particle analysis with future hardware/software revision. KW - ICP-MS KW - Nanoparticles KW - Nanosecond time resolution KW - Single particle detection PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-612706 DO - https://doi.org/10.1039/d3ja00373f SN - 1364-5544 SN - 0267-9477 VL - 39 IS - 2 SP - 389 EP - 400 PB - Royal Society of Chemistry (RSC) CY - Cambridge AN - OPUS4-61270 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Scharek, Vera M. A1 - Kröger, Tommy A1 - Keil, Karin A1 - Traub, Heike A1 - Meermann, Björn T1 - A new elemental analytical approach for microplastic sum parameter analysis—ETV/ICP-MS with CO2 N2 - Microplastics (MPs) are pervasive environmental pollutants and are considered one of the main challenges of our time. However, a fast and comprehensive analytical approach for MP analysis in complex matrices traceable to SI units is still lacking. In this context, we report a fast screening tool for the sum parameter analysis of MPs using electrothermal vaporization (ETV) coupled to inductively coupled plasma-mass spectrometry (ICP-MS). In our proof-of-concept study, we observed size-independent detection of MPs as peaks above the 13C+ signal background in the nano- to micrometer range without limitations regarding the polymer type. Quantification of the 13C+ MP signals was accomplished via an external gas calibration utilizing dynamic dilution of carbon dioxide with argon, yielding recovery rates of 80–96% for MP reference material (RM) of polymer types commonly found in the environment. The applicability to a soil sample was demonstrated through spiking experiments with a polyethylene (PE) MP RM in soil. The limit of detection (LOD) was estimated to be 0.13 µg C, equaling the detection of a single spherical low-density-PE particle of about 70 µm, and a limit of quantification (LOQ) of 0.42 µg C. KW - ETV/ICP-MS KW - Mikroplastik KW - Summenparameter PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-646418 DO - https://doi.org/10.1007/s00216-025-06146-x SN - 1618-2642 SP - 1 EP - 10 PB - Springer CY - Berlin ; Heidelberg AN - OPUS4-64641 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Scharek, Vera M. A1 - Pfeifer, Jens A1 - Vogl, Jochen A1 - Traub, Heike A1 - Meermann, Björn T1 - Tin fractionation analysis in sediment samples via on-line ID ETV/ICP-MS N2 - We report a quantification approach for directly determining total tin and tin-based pollutants/species in sediments via electrothermal vaporization/inductively coupled plasma-mass spectrometry (ETV/ICP-MS) utilizing an on-line isotope dilution mass spectrometry (IDMS) approach. The method was developed and validated using an estuarine sediment reference material (BCR-277R), yielding a recovery of 106%. A relative standard deviation (RSD) of 14%, comparable to published data using a similar method, was obtained. A limit of quantification (LOQ) was estimated at 0.008 mg Sn kg−1 and sufficient for quantifying the total tin mass fraction of surface sediments along the tidal River Elbe course. Hereby, a decrease towards the river mouth, presumably due to dilution effects by less polluted marine sediment, was observed. Besides total tin, monitoring of organotin compounds (OTCs)/species is of interest in sediments due to their toxic effects on aquatic life. The method’s capability was extended by separating an OTC fraction in a sediment certified reference material (CRM) through the ETV temperature program. While spiking experiments with OTC standards confirmed the assignment, only a small fraction of the total certified OTC amount (3%), likely due to matrix effects, was recovered. However, applying the method to real-world samples, OTCs were detectable along the River Elbe course. By this, we demonstrated the potential of our method as a complementary fast-screening approach to species-specific analysis procedures. KW - ETV KW - Sn-Speciation KW - Sediment PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640137 DO - https://doi.org/10.1007/s00216-025-06064-y SN - 1618-2642 SP - 1 EP - 10 PB - Springer Science and Business Media LLC AN - OPUS4-64013 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Scharf-Wildenhain, R. A1 - Engelking, Lorenz A1 - Hälsig, A. A1 - Schröpfer, Dirk A1 - Kannengießer, Thomas A1 - Hensel, J. T1 - Effect of heat control on mechanical properties and residual stresses at the transition zone of component and substrate in hybrid DED‑arc manufacturing N2 - In hybrid additive manufacturing, components or semi-finished products manufactured by conventional primary forming are enhanced or modified by additive manufactured structures. However, systematic investigations focusing on the critical transition area between the specific properties of the substrate (like high-strength) and the additively manufactured component, made of specific filler material, are still lacking. The focus of the present study was to determine the influence of heat control on the Δt8/5 cooling time, the distortion, the mechanical properties, and the residual stresses in the transition area of hybrid-additive components. This contributed to the knowledge regarding the safe avoidance of cold cracking, excessive distortion, a reduction in yield stress, and the implementation of hybrid DED-arc manufacturing. The heat control was varied by means of heat input and working temperature such that the Δt8/5 cooling times corresponded to the recommended processing range. The heat input has a greater influence on the cooling time in the transition area than the working temperature. Working temperature and the total energy applied per layer have a significant effect on component distortion. The lowest working temperature of 100 °C in combination with the highest total energy per layer leads to significantly greater distortion compared to manufacturing with a high working temperature of 300 °C and low total energy per layer. In addition, the longitudinal residual compressive stresses in the sensitive transition area are reduced from − 500 MPa to approx. − 200 MPa by adjusting the working temperature from 100 to 300 °C. Such complex interactions must be clarified comprehensively to provide users with easily applicable processing recommendations and standard specifications for an economical hybrid additive manufacturing of components made, for example, of high-strength steels in the transition area. T2 - IIW Annual Assembly and International Conference CY - Rhodes Island, Greece DA - 07.07.2024 KW - Hybrid additive manufacturing KW - DED-arc KW - Heat control KW - High-strength metals KW - Residual stress PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630415 DO - https://doi.org/10.1007/s40194-025-02036-z SN - 1878-6669 SP - 1 EP - 15 PB - Springer AN - OPUS4-63041 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Scharf-Wildenhain, R. A1 - Hälsig, A. A1 - Hensel, J. A1 - Wandtke, Karsten A1 - Schröpfer, Dirk A1 - Kannengießer, Thomas T1 - Heat control and design‑related effects on the properties and welding stresses in WAAM components of high‑strength structural steels N2 - Commercial high-strength fller metals for wire arc additive manufacturing (WAAM) are already available. However, widespread industrial use is currently limited due to a lack of quantitative knowledge and guidelines regarding welding stresses and component safety during manufacture and operation for WAAM structures. In a joint research project, the process- and material-related as well as design infuences associated with residual stress formation and the risk of cold cracking are being investigated. For this purpose, reference specimens are welded fully automated with defned dimensions and systematic variation of heat control using a special, high-strength WAAM fller metal (yield strength>790 MPa). Heat control is varied by means of heat input (200–650 kJ/m) and interlayer temperature (100–300 °C). The ∆t8/5 cooling times correspond with the recommendations of fller metal producers (approx. 5–20 s). For this purpose, additional thermo-physical forming simulations using a dilatometer allowed the complex heat cycles to be reproduced and the resulting ultimate tensile strength of the weld metal to be determined. Welding parameters and AM geometry are correlated with the resulting microstructure, hardness, and residual stress state. High heat input leads to a lower tensile stress in the component and may cause unfavorable microstructure and mechanical properties. However, a sufciently low interlayer temperature is likely to be suitable for obtaining adequate properties at a reduced tensile stress level when welding with high heat input. The component design afects heat dissipation conditions and the intensity of restraint during welding and has a signifcant infuence on the residual stress. These complex interactions are analyzed within this investigation. The aim is to provide easily applicable processing recommendations and standard specifcations for an economical, appropriate, and crack-safe WAAM of high-strength steels. KW - GMA welding KW - Additive manufacturing KW - Residual stresses KW - High-strength steel KW - Cold cracking safety KW - Heat control KW - Wind energy PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-567397 DO - https://doi.org/10.1007/s40194-022-01450-x SN - 1878-6669 VL - 2022 SP - 1 EP - 11 PB - Springer CY - Berlin AN - OPUS4-56739 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -