TY - JOUR A1 - Song, Jessica X. A1 - Scales, Brittan A1 - Nguyen, Minh A1 - Westberg, Emelie A1 - Witalis, Bartosz A1 - Urban-Malinga, Barbara A1 - Oberbeckmann, Sonja T1 - Close encounters on a micro scale: microplastic sorption of polycyclic aromatic hydrocarbons and their potential effects on associated biofilm communities N2 - Background: Within systems as dynamic as the aquatic environment, it is crucial to address the impacts of an ever-growing network of emerging pollutants at their intersection. With previous research having demonstrated the capacity of microplastics (MPs) to sorb persistent organic pollutants, we ask in our study how different plastic polymers that are found throughout aquatic systems interact with polycyclic aromatic hydrocarbons (PAHs) and how this intersection of pollutants might impact the bacterial communities that form on MP surfaces. We performed an in situ incubation experiment at different sites along the Baltic Sea coast and through a PAH and 16S amplicon analysis, we investigated the sorption patterns of different substrates and their potential impacts on associated biofilm communities. Results: PAH sorption patterns of polyethylene (PE), polystyrene (PS), and aquaria stone were found to be dictated predominantly by substrate type and secondly by incubation site. While PE showed a general positive trend of sorption, stone rather leached PAHs into the environment, whereas the PAH levels of PS remained relatively unchanged following incubation. These sorption patterns correlated significantly with the composition of biofilm communities observed on all three substrate types after a 6-week incubation period. Strong correlations between specific PAHs and bacterial taxa indicate a direct relationship between these factors. Elevated levels of specific 3- and 4-ring PAHs on PE and PS coincided with higher proportions of specific taxa reportedly capable of hydrocarbon utilisation as well as a reduced diversity among biofilm communities. Conclusion: The findings in our study highlight the importance of investigating contaminants such as MPs holistically, including any associated substances, to fully understand how they impact surrounding ecological systems as they traverse the different compartments of the aquatic ecosystem. KW - Aquatic biofilms KW - Plastic pollution KW - PAH KW - Microbiome KW - Emerging contaminants PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-636658 DO - https://doi.org/10.1186/s40793-025-00747-w SN - 2524-6372 VL - 20 IS - 84 SP - 1 EP - 15 PB - BMC Part of Springer Nature AN - OPUS4-63665 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Auersch, Lutz T1 - Soil–structure interaction and damping by the soil - effects of foundation groups, foundation flexibility, soil stiffness and layers N2 - In many tasks of railway vibration, the structure, that is, the track, a bridge, and a nearby building and its floors, is coupled to the soil, and the soil–structure interaction and the damping by the soil should be included in the analysis to obtain realistic resonance frequencies and amplitudes. The stiffness and damping of a variety of foundations is calculated by an indirect boundary element method which uses fundamental solutions, is meshless, uses collocation points on the boundary, and solves the singularity by an appropriate averaging over a part of the surface. The boundary element method is coupled with the finite element method in the case of flexible foundations such as beams, plates, piles, and railway tracks. The results, the frequency-dependent stiffness and damping of single and groups of rigid foundations on homogeneous and layered soil and the amplitude and phase of the dynamic compliance of flexible foundations, show that the simple constant stiffness and damping values of a rigid footing on homogeneous soil are often misleading and do not represent well the reality. The damping may be higher in some special cases, but, in most cases, the damping is lower than expected fromthe simple theory. Some applications and measurements demonstrate the importance of the correct damping by the soil. KW - Soil–structure interaction KW - Soil dynamics KW - Radiation damping of the soil KW - Rigid foundation KW - Flexible foundation KW - Foundation groups KW - Boundary element method KW - Vibration measurement PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-627007 DO - https://doi.org/10.3390/vibration8010005 SN - 2571-631X VL - 8 IS - 5 SP - 1 EP - 28 PB - MDPI CY - Basel, Schweiz AN - OPUS4-62700 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gawek, Marcel A1 - Szymoniak, Paulina A1 - Hülagü, Deniz A1 - Hertwig, Andreas A1 - Schönhals, Andreas T1 - Molecular Mobility of Thin Films and the Adsorbed Layer of Poly(2-vinylpyridine) N2 - The molecular dynamics of thin films and the adsorbed layer of poly(2-vinylpyridine) (P2VP) were investigated using broadband dielectric spectroscopy (BDS) and spectroscopic ellipsometry. Thin films of P2VP were prepared on silicon substrates and characterized to understand the influence of film thickness on the thermal glass transition temperature (Tg) and molecular mobility. The ellipsometric study revealed a decrease in Tg with decreasing film thickness, attributed to the enhanced mobility at the polymer/air interface. The adsorbed layer, prepared via the solvent leaching approach, exhibited a higher Tg compared to the bulk, indicating reduced molecular mobility due to strong polymer substrate interactions. The dielectric measurements were carried out in two different electrode configurations, crossed electrode capacitors (CEC) and nanostructured electrodes (NSE), where the latter allows for a free surface layer at the polymer/air interface. The relaxation rates of the α-relaxation measured in the CEC geometry collapse into one chart independent from the film thickness. For the thin films measured in the NSE arrangement the relaxation rates slow down with decreasing film thickness which was discussed as related to a stronger interaction of the P2VP segments with the native SiO2 at the surface of the silicon substrate compared to aluminum. It is worth to note that the effect of the enhanced mobility at the polymer/air interface is not observed in the dielectric measurements. BDS measurements in NSE geometry identified an additional relaxation process (α*-relaxation) in thin films, which was more pronounced in the adsorbed layer. This process is hypothesized to be related to molecular fluctuations within the adsorbed layer including the adsorption/desorption dynamics of segments or to a Slow Arrhenius Process (SAP) related to the equilibration dynamics deep in the glassy state. KW - Thin polymer films PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637181 DO - https://doi.org/10.1039/d5sm00539f SN - 1744-6848 SP - 1 EP - 12 PB - Royal Society of Chemistry (RSC) AN - OPUS4-63718 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Szymoniak, Paulina A1 - Kolmangadi, Mohamed A. A1 - Böhning, Martin A1 - De Souza, N. R. A1 - Juranyi, F. A1 - Zorn, R. A1 - Schönhals, Andreas T1 - Inelastic and Quasielastic Neutron Scattering on Polynorbornenes with Bulky Carbocyclic Side groups N2 - This study investigates the molecular mobility and vibrational properties of polynorbornenes with bulky carbocyclic side groups using inelastic and quasielastic neutron scattering techniques. The polymers, synthesized via metathesis and addition polymerization, exhibit varying degrees of microporosity, which ignificantly influences their gas separation performance. By inelastic neutron scattering experiments, it could be shown that all considered polymers have excess contributions to the low frequency vibrational density of states known as the Boson peak. The maximum frequency of the Boson peak correlates to the microporosity of the polymers. This correlation supports the sound wave interpretation of the Boson peak, suggesting that the microporous structure enhances the compressibility of the material at a microscopic length scale. The molecular mobility, particularly the methyl group rotation, was characterized using elastic scans and quasielastic neutron scattering. The study revealed a temperature dependent relaxation process, with the onset of molecular fluctuations observed around 200 K for the polymer containing methyl groups. For the polymer having no methyl groups only elastic scattering is observed. The methyl group rotation was analyzed in terms of a jump diffusion in a threefold potential with three equivalent energy minima. This leads to an almost correct description of the q dependence of the elastic incoherent scattering function when the number of hydrogen nuclei undergoing the methyl group rotation is considered. It was further evidenced that the fraction of methyl undergoing the methyl group rotation increases with increasing temperature. KW - Polymers of Intrinsic Microporosity KW - Neutron scattering PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630297 DO - https://doi.org/10.1016/j.polymer.2025.128358 SN - 1873-2291 VL - 328 SP - 241 PB - Elsevier Ltd. AN - OPUS4-63029 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Stühler, Merlin R. A1 - Makki, Hesam A1 - Silbernagl, Dorothee A1 - Dimde, Mathias A1 - Ludwig, Kai A1 - Tegner, Bengt E. A1 - Greve, Christopher A1 - Rausch, Konstantin A1 - Herzig, Eva M. A1 - Köhler, Anna A1 - Plajer, Alex J. T1 - Flexibility and Dynamicity Enhances and Controls Supramolecular Self-Assembly of Zinc(II) Metallogels N2 - Supramolecular self-assembly of stacked architectures is typically achieved through hydrogen bonding or π–π interactions between monomers constructed from stable and inert bonds. In contrast, coordinative interactions of early metals promise distinct self-assembly behaviour due to more flexible bonding geometries and a wider range of stabilities and exchange kinetics. In this report we demonstrate that tailoring the flexible coordination sphere of Zinc(II) complexes via subtle ligand modification promotes not only one but also three-dimensional self-assembly both thermodynamically and kinetically into higher-order fibrous morphologies, the latter being elucidated by electron tomography. As a result, coordination chemistry can be translated into both nanoscopic (fibre stiffness) and macroscopic (thermal gel stability) material properties. Utilizing dynamicity enables gelation via subcomponent self-assembly, constructing the supramolecular polymer network simultaneously with the monomer. Furthermore, coordinative dis- and reassembly via metal-ligand exchange reactions involving the first and second coordination spheres allows for control over gelation and emission of the system. Our report links concepts in supramolecular self-assembly and coordination chemistry by leveraging the unique bonding interactions that cannot be achieved for traditional monomers, promising applications in stimuli-responsive optoelectronics. KW - Nanomaterial KW - AFM KW - Organometallic KW - Gel PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634221 DO - https://doi.org/10.1002/adfm.202507793 SN - 1616-301X SP - 1 EP - 10 PB - Wiley-VCH GmbH CY - Weinheim AN - OPUS4-63422 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Erxleben, Kjell A1 - Kaiser, Sebastian A1 - Rhode, Michael A1 - Kannengiesser, Thomas A1 - Kromm, Arne T1 - In-service and repair welding of pressurized hydrogen pipelines–a review on current challenges and strategies N2 - Hydrogen is the energy carrier for a sustainable future without fossil fuels. As this requires a reliable transportation infrastructure, the conversion of existing natural gas (NG) grids is an essential part of the worldwide individual national hydrogen strategies, in addition to newly erected pipelines. In view of the known effect of hydrogen embrittlement, the compatibility of the materials already in use (typically low-alloy steels in a wide range of strengths and thicknesses) must be investigated. Initial comprehensive studies on the hydrogen compatibility of pipeline materials indicate that these materials can be used to a certain extent. Nevertheless, the material compatibility for hydrogen service is currently of great importance. However, pipelines require frequent maintenance and repair work. In some cases, it is necessary to carry out welding work on pipelines while they are under pressure, e.g., the well-known tapping of NG grids. This in-service welding brings additional challenges for hydrogen operations in terms of additional hydrogen absorption during welding and material compatibility. The challenge can be roughly divided into two parts: (1) the possible austenitization of the inner piping material exposed to hydrogen, which can lead to additional hydrogen absorption, and (2) the welding itself causes an increased temperature range. Both lead to a significantly increased hydrogen solubility in the respective materials compared to room temperature. In that connection, the knowledge on hot tapping on hydrogen pipelines is rare so far due to the missing service experiences. Fundamental experimental investigations are required to investigate the possible transferability of the state-of-the-art concepts from NG to hydrogen pipeline grids. This is necessary to ensure that no critical material degradation occurs due to the potentially increased hydrogen uptake. For this reason, the paper introduces the state of the art in pipeline hot tapping, encompassing current research projects and their individual solution strategies for the problems that may arise for future hydrogen service. Methods of material testing, their limitations, and possible solutions will be presented and discussed. KW - In-service KW - Welding KW - Hydrogen pipeline KW - Review PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-638847 DO - https://doi.org/10.1007/s40194-025-02127-x SN - 0043-2288 SP - 1 EP - 24 PB - Springer Science and Business Media LLC AN - OPUS4-63884 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lozano, Daniel A1 - Gravenkamp, Hauke A1 - Birk, Carolin T1 - Simulations of ultrasonic guided wave scattering using the scaled boundary finite element method N2 - This paper presents a numerical framework employing the Scaled Boundary Finite Element Method (SBFEM) for efficiently solving ultrasonic guided wave modal scattering problems and constructing scattering matrices (S-matrices). The framework integrates hierarchical octree meshing and an enhanced far field formulation. It incorporates boundary integrals, enabling an accurate representation of defect interactions with guided waves. Validation is performed using a benchmark test supported by an error estimation method based on energy balance. Two practical examples are used to showcase the simulation framework, where the scattering of guided waves with surface-breaking and subsurface cracks near rivet holes is studied. KW - Guided waves KW - Scattering matrix KW - Scaled boundary finite element method KW - Elastodynamics PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-638295 DO - https://doi.org/10.1016/j.cma.2025.118204 SN - 0045-7825 VL - 445 SP - 1 EP - 23 PB - Elsevier B.V. AN - OPUS4-63829 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gerbeit, Marco A1 - Seeber, Henrik A1 - Grasse, Dennis A1 - Donner, Marcel A1 - Grobert, Steffen A1 - Krentel, Daniel T1 - Test set-up for reproducible shock wave generation N2 - A test setup was developed at the BAM test site to generate and record reproducible, adjustable shock waves resulting from gas detonations. The setup is used to study the impact of blasts on humans and structures with short setup times. To further develop this innovative test bench and improve reproducibility, the ignition source and gas composition is analysed in more detail. The experimental setup consists of a cylindrical pressure vessel (autoclave) that is operated with acetylene and oxygen at ambient pressure. The elevated pressure resulting from the combustion process is released through an orifice by the instantaneous rupture of a diaphragm. The shock propagates symmetrically into the free field, where it interacts with the models and sensors to be analysed. With this design, shock waves with a typical ideal Friedlander waveform characteristic, except for a reflection and a muzzle blast-like behavior that deviates from the ideal characteristics, can be generated. This setup enables an average peak overpressure of 88 kPa. By using exploding wires as an ignition source in comparison to a fusehead, the reproducibility was significantly increased during the test to σ=2.8 kPa from σ=9.5 kPa previously. The presented data confirms the quality and reliability of this setup in generating realistic, reproducible shocks. KW - Overpressure KW - Shock wave KW - Blast KW - Ignition source KW - Autoclave PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637859 DO - https://doi.org/10.1016/j.jlp.2025.105736 SN - 0950-4230 VL - 98 SP - 1 EP - 6 PB - Elsevier Ltd. AN - OPUS4-63785 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schiaroli, Alice A1 - Mata, Christian A1 - Scarponi, Giordano Emrys A1 - Habib, Abdel Karim A1 - Kluge, Martin A1 - Ustolin, Federico A1 - Cozzani, Valerio T1 - Digital image processing for the advanced characterization and simulation of experimental fire tests N2 - The fire engulfment of storage tanks of hazardous materials is among the most critical scenarios in hazard assessment of industrial value chains. Laboratory and full-scale experimental trials are used to test the tank performance and integrity in such scenarios. However, strong uncertainties usually affect the actual fire load experienced by the tank, in particular when large-scale experiments are carried out in open test fields. Such uncertainties arise from several factors difficult to control during experimental tests, such as the atmospheric conditions as there is the influence of wind drifts influencing the actual fire engulfment, the flame temperature and the flame dynamic distribution around the target. Consequently, verifying the concordance of an experimental test with standard test criteria and defining accurate boundary conditions in correlated model simulations is challenging. In this study, the development of a novel method for the analysis of fire conditions based on image processing is presented. The approach allows identifying the flame coverage on the target surface during the test and provides an accurate map of the flame distribution on the equipment over time. The approach is tested using experimental data from a full-scale fire test campaign carried out on liquid hydrogen cryogenic tanks. The results prove to be accurate in replicating the experimental temperatures measured on the outer tank shell during the test. The proposed methodology can be used to better understand the results of experimental fire tests and to characterize realistic fire scenarios, also supporting the definition of fire test requirements. Moreover, the approach produces results that can be implemented as advanced space-time-varying boundary conditions in simulation models, improving their accuracy in reproducing real cases. KW - Fire test KW - Digital image processing KW - Flame coverage KW - Storage tank KW - Boundary conditions KW - Fire engulfment PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-636956 DO - https://doi.org/10.1016/j.psep.2025.107571 SN - 0957-5820 VL - 201 IS - B SP - 1 EP - 15 PB - Elsevier Ltd. AN - OPUS4-63695 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schilling, Markus A1 - Marschall, Niklas A1 - Niebergall, Ute A1 - Böhning, Martin T1 - Modernizing FNCT data handling in polymer labs: Towards efficient management N2 - A streamlined Python-based workflow for transforming Full-Notch Creep Test (FNCT) data into organized, machine-actionable formats is presented. The workflow automates the conversion of raw FNCT data from classic CSV and Excel files into structured outputs that facilitate future semantic integration. Emphasizing practical data handling, the approach includes automation scripts for efficient data extraction, transformation, and storage, which culminate in well-ordered files. This transformation paves the way for potential semantic data integration and facilitates access for users with varying levels of digital experience to enhanced data management in polymer research and testing. KW - PE-HD KW - Full-Notch Creep Test (FNCT) KW - Environmental Stress Cracking (ESC) KW - Data Interoperability KW - FAIR Data KW - Semantic Data PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637826 DO - https://doi.org/10.1016/j.commatsci.2025.114085 SN - 0927-0256 VL - 259 SP - 1 EP - 5 PB - Elsevier B.V. AN - OPUS4-63782 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Liu, Yuanbin A1 - Morrow, Joe D. A1 - Ertural, Christina A1 - Fragapane, Natascia L. A1 - Gardner, John L. A. A1 - Naik, Aakash A. A1 - Zhou, Yuxing A1 - George, Janine A1 - Deringer, Volker L. T1 - An automated framework for exploring and learning potential-energy surfaces N2 - Machine learning has become ubiquitous in materials modelling and now routinely enables large-scale atomistic simulations with quantum-mechanical accuracy. However, developing machine-learned interatomic potentials requires high-quality training data, and the manual generation and curation of such data can be a major bottleneck. Here, we introduce an automated framework for the exploration and fitting of potential-energy surfaces, implemented in an openly available software package that we call (‘automatic potential-landscape explorer’). We discuss design choices, particularly the interoperability with existing software architectures, and the ability for the end user to easily use the computational workflows provided. We show wide-ranging capability demonstrations: for the titanium–oxygen system, SiO2, crystalline and liquid water, as well as phase-change memory materials. More generally, our study illustrates how automation can speed up atomistic machine learning in computational materials science. KW - Automation KW - Machine Learning KW - Machine learning potentials KW - Amorphous materials KW - High-throughput KW - Ab initio KW - Materials property prediction PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-639882 DO - https://doi.org/10.1038/s41467-025-62510-6 SN - 2041-1723 VL - 16 IS - 1 SP - 1 EP - 12 PB - Springer Science and Business Media LLC AN - OPUS4-63988 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Amariamir, Sasan A1 - George, Janine A1 - Benner, Philipp T1 - SynCoTrain: a dual classifier PU-learning framework for synthesizability prediction N2 - Material discovery is a cornerstone of modern science, driving advancements in diverse disciplines from biomedical technology to climate solutions. Predicting synthesizability, a critical factor in realizing novel materials, remains a complex challenge due to the limitations of traditional heuristics and thermodynamic proxies. While stability metrics such as formation energy offer partial insights, they fail to account for kinetic factors and technological constraints that influence synthesis outcomes. These challenges are further compounded by the scarcity of negative data, as failed synthesis attempts are often unpublished or context-specific. We present SynCoTrain, a semi-supervised machine learning model designed to predict the synthesizability of materials. SynCoTrain employs a co-training framework leveraging two complementary graph convolutional neural networks: SchNet and ALIGNN. By iteratively exchanging predictions between classifiers, SynCoTrain mitigates model bias and enhances generalizability. Our approach uses Positive and Unlabeled (PU) learning to address the absence of explicit negative data, iteratively refining predictions through collaborative learning. The model demonstrates robust performance, achieving high recall on internal and leave-out test sets. By focusing on oxide crystals, a well-characterized material family with extensive experimental data, we establish SynCoTrain as a reliable tool for predicting synthesizability while balancing dataset variability and computational efficiency. This work highlights the potential of co-training to advance high-throughput materials discovery and generative research, offering a scalable solution to the challenge of synthesizability prediction. KW - Synthesizability KW - Accelerated Materials Design KW - Materials Acceleration Platforms KW - Materials Design KW - Materials Discovery KW - Co-training PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637907 DO - https://doi.org/10.1039/D4DD00394B SN - 2635-098X VL - 4 IS - 6 SP - 1437 EP - 1448 PB - Royal Society of Chemistry (RSC) AN - OPUS4-63790 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nicolicea, Alberto A1 - Oliveros-Mata, E. S. A1 - Makarov, D. A1 - Melzer, Michael A1 - Pelkner, Matthias T1 - Flexible anisotropic magnetoresistive sensors for novel eddy current testing applications N2 - The standard method for eddy current testing (ET) of conductive materials relies on using rigid coils. In recent years magnetoresistive (MR) sensors in combination with an excitation wire have become a promising candidate for this application since it would increase the spatial resolution. New developments in flexible electronics have enabled the production of flexible sensors with the novel capability of scanning samples in conformal contact with the surface. In this article flexible anisotropic magnetoresistive (AMR) sensors were used in combination with a thin induction wire to perform eddy current testing of a curved aluminum sample with several defects imprinted on its surface. To benchmark the performance of this new method, a flat sample with reference defects of various dimensions was also scanned using flexible AMR sensors, inductive coils and rigid giant magnetoresistive (GMR) sensors. The results show that this new method of using flexible magnetic field sensors coupled with an excitation wire can easily be applied to the scanning of curved samples, while in the benchmark test employing the flat sample, the performance is not far behind more conventional techniques, with defects with depths down to 30 μm and widths down to 400 μm being detectable with an SNR of 3 (signal magnitude) and 8 (signal phase shift) at the excitation frequency of 50 kHz, and defects with depths down to 30 μm and widths down to 600 μm being detectable with an SNR of 10 (signal magnitude) and 17 (signal phase shift) at 260 kHz. KW - Magnetic field sensors KW - Flexible magnetic field sensors KW - Flexible electronics KW - Non-destructive testing KW - Eddy current testing KW - Thin film sensor fabrication KW - Defect detection KW - Magnetism PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634325 DO - https://doi.org/10.1016/j.measurement.2025.117340 SN - 1873-412X VL - 253, Part A SP - 1 EP - 15 PB - Elsevier CY - Amsterdam AN - OPUS4-63432 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bruno, Francesco A1 - Fiorucci, Letizia A1 - Vignoli, Alessia A1 - Meyer, Klas A1 - Maiwald, Michael A1 - Ravera, Enrico T1 - pyIHM: Indirect Hard Modeling, in Python N2 - NMR is a powerful analytical technique that combines an exquisite qualitative power, related to the unicity of the spectra of each molecule in a mixture, with an intrinsic quantitativeness, related to the fact that the integral of each peak only depends on the number of nuclei (i.e., the amount of substance times the number of equivalent nuclei in the signal), regardless of the molecule. Signal integration is the most common approach in quantitative NMR but has several drawbacks (vide infra). An alternative is to use hard modeling of the peaks. In this paper, we present pyIHM, a Python package for the quantification of the components of NMR spectra through indirect hard modeling, and we discuss some numerical details of the implementation that make this approach robust and reliable. KW - Algorithms KW - Chemical Structure KW - Deconvolution KW - Mixtures KW - NMR spectroscopy PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626793 DO - https://doi.org/10.1021/acs.analchem.4c06484 SN - 1520-6882 VL - 97 IS - 8 SP - 4598 EP - 4605 PB - ACS Publications CY - Washington D.C. AN - OPUS4-62679 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Yang, Fan A1 - Meng, Xiangmeng A1 - Putra, Stephen Nugraha A1 - Bachmann, Marcel A1 - Rethmeier, Michael T1 - Numerical studies of process porosity suppression by magnetohydrodynamic technology during the laser beam welding of aluminum alloy N2 - Magnetohydrodynamic (MHD) technology is acknowledged as a promising method for mitigating the porosity defects in laser-welded joints of aluminum alloys. A transient 3D multi-physical numerical model of laser beam welding (LBW), coupled with the MHD and oscillating metal vapor plume model, is developed to study the suppression mechanisms of process porosity by an external magnetic field. The experimental results demonstrate that the porosity ratio is reduced by 93.5 % as the oscillating magnetic field is applied. This significant reduction confirms the effectiveness of the MHD technology in suppressing porosity defects. A downward time-averaged Lorentz force is induced in the weld pool, which affects the fluid flow pattern and the weld pool profile. The change of the flowing pattern in the weld pool by the magnetic field does not always have a positive effect on the porosity suppression. In addition, an analytical model shows that the bubble escape window is expanded by 62 % under the effect of the oscillating magnetic field. The additional upward velocity provided by the electromagnetic expulsive force on the bubbles and the change of weld pool profile are considered favorable factors in eliminating the porosity defects. The numerical and analytical model developed for analyzing the bubble escape window have been validated by experimental results. KW - Laser beam welding KW - Aluminum alloy KW - Process porosity defects KW - Magnetohydrodynamic technology KW - Bubble escape KW - Numerical simulation PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637642 DO - https://doi.org/10.1016/j.ijheatmasstransfer.2025.127525 SN - 0017-9310 VL - 253 SP - 1 EP - 13 PB - Elsevier Ltd. AN - OPUS4-63764 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Yang, Keke A1 - Wang, Zhuoqun A1 - Haak, Viktor A1 - Olfert, Viktoria A1 - El-Sari, Bassel A1 - Hein, David A1 - Biegler, Max A1 - Rethmeier, Michael A1 - Meschut, Gerson T1 - A novel welding schedule for expanding the expulsion-free process window in resistance spot welding of dissimilar joints with ultra-high strength steel N2 - This study introduces a novel approach to expanding the maximum expulsion-free process window in resistance spot welding (RSW) of dissimilar joints between ultra-high strength steel (UHSS) and mild steel. Quantitative analysis revealed that expulsion is driven by the interaction between nugget growth rate and plastic shell thickness. Based on this finding, the welding schedule was optimized by applying a preheating current to form an initial plastic shell, followed by a ramp-up current profile during the main welding phase. Welding simulations indicated that the ramp-up current slowed nugget growth, improved plastic shell formation, and prevented nugget breakthrough, thereby reducing the risk of expulsion. Experimental validation showed a 19 % increase in maximum expulsion-free heat input, with the nugget diameter increasing by 7.6 % to 8.94 mm compared to the reference welding schedule. Furthermore, even when expulsion occurred beyond the process window, this optimization delayed its occurrence, minimizing its impact on spot weld quality. Finally, the optimized welding schedule also exhibited significant robustness. Despite a 2 mm initial gap disturbance, the maximum expulsionfree heat input increased by 57 %, while the nugget diameter grew by 30 % to 8.92 mm. These results confirm that the proposed approach effectively extends the process window by preventing expulsion and enhances process stability. KW - Expulsion KW - Resistance spot welding KW - Finite element modelling KW - Preheating KW - Ultra-high-strength steel PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626877 DO - https://doi.org/10.1016/j.jmapro.2025.02.009 SN - 2212-4616 VL - 137 SP - 306 EP - 309 PB - Elsevier BV AN - OPUS4-62687 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Paskin, Alice A1 - Couasnon, Thaïs A1 - Blukis, Roberts A1 - Perez, Jeffrey Paulo H. A1 - Reinsch, Stefan A1 - Roddatis, Vladimir A1 - Syczewski, Marcin A1 - Benning, Liane G. T1 - Temperature-Induced Phase Transitions of Vivianite: In Situ Analysis of a Redox-Driven Crystallization N2 - We document a solid-state, temperature-dependent (25−700 °C), multistage redox transformation of crystalline ferrous iron phosphate, vivianite (Fe3(PO4)2·8H2O). Under anoxic conditions, vivianite breaks down at T > 250 °C into an anhydrous, amorphous intermediate Fe3(PO4)2 phase, yet the bulk shape and morphology of the starting vivianite crystals were retained. This amorphous intermediate phase remained stable until T > 500 °C, after which a redox-dependent crystallization into two different minerals was observed. Under anoxic conditions, the amorphous ferrous intermediate (Fe3(PO4)2) transformed into the crystalline ferrous phosphate (graftonite, (Fe2+)3(PO4)2), while under oxic conditions it crystallized into a ferric phosphate (rodolicoite, Fe3+PO4). Graftonite formation occurs via an exothermic molar enthalpy (ΔHcryst) of −16.7 ± 0.2 kJ mol−1. Rietveld refinements of the two crystalline endmembers (vivianite and graftonite) revealed a unit cell volume decrease of ∼3.1% during the transformation, which was observed by in situ electron microscopic observations as an overall shrinking of the initial vivianite crystals. Despite volume loss and bubble-like features, the original vivianite shape was preserved, indicating a solid-state pseudomorphic transformation. Ex situ XRD and TEM-EELS analyses confirmed the ferrous-to-ferric oxidation, forming rodolicoite, through changes in the Fe geometry and oxidation state. KW - Vivianite KW - Graftonite KW - Crystallization enthalpy KW - Ferrous phosphates PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640782 DO - https://doi.org/10.1021/acs.inorgchem.5c02399 SN - 0020-1669 VL - 46 IS - 36 SP - 18227 EP - 18236 PB - American Chemical Society (ACS) AN - OPUS4-64078 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Yalçınyüz, Aybike A1 - Raute, Julius A1 - Gonzalez-Gutierrez, Joamin A1 - Pei, Eujin A1 - Biegler, Max A1 - Rethmeier, Michael T1 - Electron Beam Bonding: A novel method for joining additively manufactured carbon fiber thermoplastic composites with aluminum to produce multi-material joints for lightweight applications N2 - In recent years, new solutions have been explored to reduce the weight of components for the automotive, railway, and aerospace industries. For this reason, Carbon Fiber Composites (CFCs) have increasingly replaced metals in products that need to be lightweight. However, due to their poor thermal conductivity, CFCs have limited use in applications requiring efficient heat dissipation. In such applications, conventionally manufactured metal alloys are typically utilized. To address these limitations, a novel approach using a combination of additively manufactured aluminum and CFCs is proposed to exploit the distinct advantages of both materials. These innovative hybrid structures aim to combine good structural and thermal management properties with reduced weight compared to conventionally produced metal products. In this study, additively manufactured aluminum alloy (AlSi10Mg) and short carbon fiber Polyamide 6 composite (sCF-PA6) are utilized to produce metal–polymer pairs using electron beam energy to bond the two materials. Direct irradiation of short CFCs with electron beam leads to polymer degradation. Thus, a novel method “Electron Beam Bonding” for joining CFCs with aluminum alloy in various joint configurations using electron beam technology is demonstrated. This innovative approach presents a promising solution for creating metal–polymer multi-materials for lightweight applications. KW - Electron beam bonding KW - Multi-material KW - Lightweight KW - Additive manufactured materials KW - Short carbon fiber composites KW - AlSi10Mg KW - Joining PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-641705 DO - https://doi.org/10.1007/s40964-025-01206-1 SN - 2363-9512 SP - 1 EP - 7 PB - Springer International Publishing CY - Cham AN - OPUS4-64170 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Holt, Erika A1 - Oksa, Maria A1 - Banford, Anthony A1 - Carbol, Paul A1 - Abdelouas, Abdesselam A1 - Giboire, Isabelle A1 - Mennecart, Thierry A1 - Niederleithinger, Ernst T1 - Predisposal Radioactive Waste Management (PREDIS) Project Final Achievements and Impacts Overview N2 - The PREDIS project on Predisposal of Radioactive Waste has succeeded in developing and implementing new methods, processes and technologies for treatment of challenging low-level waste (LLW) and intermediate level waste (ILW) streams. Over the 4-year duration, this Euratom project of 47 partners from 17 Member States has worked in close collaboration with 25 End User industrial members to advance the technologies associated with predisposal issues. This has included characterisation followed by treatment, conditioning and processing of metallics, liquid organic and solid organic wastes as well as with digitalization technologies for assessing performance of concrete waste packages and pre-disposal storage. Long-term modelling and performance testing have been done to verify the safety and effectiveness of the new or enhanced solutions. Value Assessments were done for some of the new solutions to ensure implementors would have sufficient tools for making choices about the potential implementation. This included life-cycle assessment of quantitative sustainability indicators and life cycle-costing for economic indicators. This project addressed new guidance on Waste Acceptance Criteria and contributed with a revised Strategic Research Agenda to guide future predisposal activities, complimentary to the holistic waste management programme. Knowledge Management actions were also an integral part of the whole project to foster competence development and capturing knowledge. Actions included training, mobility, and guidance especially through online forums such as webinars and digital training. This paper provides a snapshot of some of the key outcomes and impacts from the project, from technical as well as strategic and knowledge perspectives. KW - Nuclear waste KW - Pre-disposal KW - Intermediate storage KW - Treatment KW - Monitoring PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-638480 DO - https://doi.org/10.1051/epjn/2025028 SN - 2491-9292 VL - 11 SP - 1 EP - 7 PB - EDP Sciences AN - OPUS4-63848 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Meng, Xiangmeng A1 - Bachmann, Marcel A1 - Yang, Fan A1 - Rethmeier, Michael T1 - Toward prediction and insight of porosity formation in laser welding: A physics-informed deep learning framework N2 - The laser welding process is an important manufacturing technology for metallic materials. However, its application is often hindered by the occurrence of porosity defects. By far, an accurate prediction of the porosity defects and an insight into its formation mechanism are still challenging due to the highly nonlinear physics involved. In this paper, we propose a physics-informed deep learning (PIDL) framework by utilizing mechanistic modeling and experimental data to predict the porosity level during laser beam welding of aluminum alloys. With a proper selection of the physical variables (features) concerning the solidification, liquid metal flow, keyhole stability, and weld pool geometry, the PIDL model shows great superiority in predicting the porosity ratio, with a reduction of mean square error by 41 %, in comparison with the conventional DL model trained with welding parameters. Furthermore, the selected variables are fused into dimensionless features with explicit physical meanings to improve the interpretability and extendibility of the PIDL model. Based on a well-trained PIDL model, the hierarchical importance of the physical variables/procedures on the porosity formation is for the first time revealed with the help of the Shapley Additive Explanations analysis. The keyhole ratio is identified as the most influential factor in the porosity formation, followed by the downward flow-driven drag force, which offers a valuable guideline for process optimization and porosity minimization. KW - Laser beam welding KW - Physics-informed deep learning KW - Porosity prediction KW - Feature fusion KW - Hierarchical importance PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-624708 DO - https://doi.org/10.1016/j.actamat.2025.120740 VL - 286 SP - 1 EP - 13 PB - Elsevier B.V. AN - OPUS4-62470 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Akyel, Fatma A1 - Üstündag, Ömer A1 - Bakir, Nasim A1 - Brunner-Schwer, Christian A1 - Gumenyuk, Andrey A1 - Rethmeier, Michael T1 - Influence of heat input on cooling rates and mechanical properties of laser hybrid welded thick structural steels N2 - Laser hybrid welding presents several challenges when used to weld thick steels. A typical weld is divided into the arcdominated and laser-dominated zone. These zones lead to variations in the mechanical properties of the weld. The laserdominated zone is of particular importance regarding mechanical properties, notably Charpy impact toughness, due to the high cooling rates and the absence of filler wire. The low heat input of the laser can lead to martensitic microstructure causing hardening and deterioration of impact toughness. The high heat input of the arc can lead to grain coarsening and even loss of impact toughness. This study examines the influence of heat input on the cooling rates, microstructure and mechanical properties of single-pass laser hybrid welded steels of S355J2 and EH36 with thicknesses up to 30 mm. The experiments were performed with a 20-kW fibre laser and a contactless electromagnetic weld backing in the butt-joint configuration in 1G welding position. The cooling time was measured in three different locations near the fusion lines corresponding to different heights of the seam using a special configuration with pyrometers, collimators and optical fibres. The test specimens for the Charpy impact testing and tensile testing were extracted in three different depths. The experiments indicated that a heat input of 1.6 kJ/mm–2 kJ/mm, 2 kJ/mm–2.4 kJ/mm and 3.7 kJ/mm were recommended when single-pass laser hybrid welding of 20-, 25-, and 30-mm-thick structural steels regarding the minimum requirements of the mechanical properties, respectively. KW - Laser hybrid welding KW - Heat input KW - Mechanical properties KW - Charpy impact toughness KW - Cooling rate PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625282 DO - https://doi.org/10.1007/s40194-025-01924-8 SN - 1878-6669 SP - 1 EP - 15 PB - Springer CY - United Kingdom AN - OPUS4-62528 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kemmler, Samuel A1 - Rettinger, Christoph A1 - Rüde, Ulrich A1 - Cuéllar, Pablo A1 - Köstler, Harald T1 - Efficiency and scalability of fully-resolved fluid-particle simulations on heterogeneous CPU-GPU architectures N2 - Current supercomputers often have a heterogeneous architecture using both conventional Central Processing Units (CPUs) and Graphics Processing Units (GPUs). At the same time, numerical simulation tasks frequently involve multiphysics scenarios whose components run on different hardware due to multiple reasons, e.g., architectural requirements, pragmatism, etc. This leads naturally to a software design where different simulation modules are mapped to different subsystems of the heterogeneous architecture. We present a detailed performance analysis for such a hybrid four-way coupled simulation of a fully resolved particle-laden flow. The Eulerian representation of the flow utilizes GPUs, while the Lagrangian model for the particles runs on conventional CPUs. Two characteristic model situations involving dense and dilute particle systems are used as benchmark scenarios. First, a roofline model is employed to predict the node level performance and to show that the lattice-Boltzmann-based Eulerian fluid simulation reaches very good performance on a single GPU. Furthermore, the GPU-GPU communication for a large-scale Eulerian flow simulation results in only moderate slowdowns. This is due to the efficiency of the CUDA-aware MPI communication, combined with the use of communication hiding techniques. On 1024 A100 GPUs, an overall parallel efficiency of up to 71% is achieved. While the flow simulation has good performance characteristics, the integration of the stiff Lagrangian particle system requires frequent CPU-CPU communications that can become a bottleneck, especially when simulating the dense particle system. Additionally, special attention is paid to the CPU-GPU communication overhead since this is essential for coupling the particles to the flow simulation. However, thanks to our problem-aware co-partitioning, the CPU-GPU communication overhead is found to be negligible. As a lesson learned from this development, four criteria are postulated that a hybrid implementation must meet for the efficient use of heterogeneous supercomputers. KW - Discrete element method KW - Hybrid implementation KW - High-performance computing KW - Particulate flow KW - Lattice Boltzmann method PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-623958 DO - https://doi.org/10.1177/10943420241313385 SN - 1741-2846 SP - 1 EP - 19 PB - SAGE Publications AN - OPUS4-62395 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zinas, Orestis A1 - Papaioannou, Iason A1 - Schneider, Ronald A1 - Cuéllar, Pablo T1 - Multivariate Gaussian Process Regression for 3D site characterization from CPT and categorical borehole data N2 - Accurate prediction of subsurface stratigraphy and geotechnical properties, along with quantification of associated uncertainties, is essential for improving the design and assessment of geotechnical structures. Several studies have utilized indirect data from Cone Penetration Tests (CPTs) and employed statistical and Machine Learning methods to quantify the geological and geotechnical uncertainty. Incorporating direct borehole data can reduce uncertainties. This study proposes a computationally efficient multivariate Gaussian Process model that utilizes site-specific data and: (i) jointly models multiple categorical (USCS labels) and continuous CPT variables, (ii) learns a non-separable covariance structure leveraging the Linear Model of Coregionalization, and (iii) predicts a USCS based stratigraphy and CPT parameters at any location within the 3D domain. The results demonstrate that integrating geotechnical and geological data into a unified model yields more reliable predictions of subsurface stratification, enabling the parallel interpretation of both USCS classification and CPT profiles. Importantly, the model demonstrates its potential to integrate multiple variables from different sources and data types, contributing to the advancement of methodologies for the joint modeling of geotechnical, geological, and geophysical data. KW - Geotechnical site-characterization KW - Cone Penetration Tests KW - Stratigraphy prediction KW - Multivariate Gaussian process KW - Variational inference KW - Linear Model of Coregionalization PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-629456 DO - https://doi.org/10.1016/j.enggeo.2025.108052 SN - 1872-6917 VL - 352 SP - 1 EP - 19 PB - Elsevier B.V. AN - OPUS4-62945 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bernardy, Christopher A1 - Habib, Abdel Karim A1 - Kluge, Martin A1 - Schalau, Bernd A1 - Kant, Hanjo A1 - Schulze, Marcel A1 - Orchini, Alessandro T1 - Large-scale investigations of the thermal radiation of hydrogen jet flames N2 - For industrial applications dealing with hydrogen, the definition of safety distances and the assessment of possible hazards emanating from releases is mandatory. Since hydrogen is usually stored and transported under pressure, one scenario to be considered is the momentum driven release of hydrogen from a leakage with subsequent ignition. In this scenario, the emitted heat radiation from the resulting jet flame to the surroundings has to be determined to define adequate safety distances. For hydrocarbon flames, different jet flame models are available to assess the hazards resulting from an ignited jet release. Since hydrogen flames differ from hydrocarbon flames in their combustion behavior, it has to be checked if these models are also applicable for hydrogen. To evaluate the accuracy of these models for hydrogen jet flames, tests with a horizontal outlet at large-scale are carried out at the BAM Test Site for Technical Safety (BAM-TTS). Herein, the flame geometry and the heat radiation at defined locations in the surroundings are recorded for varying release parameters such as release pressure (currently up to max. 250 bar), mass flow (up to max. 0.175 kg/s) at an outlet diameter of 30 mm (with an upstream nozzle of 7.7 mm). The challenge here is the characterization of the flame geometry in an open environment and its impact on the thermal radiation. Existing heat radiation data from the literature are mostly based on unsteady outflow conditions. For a better comparability with the steady state jet flame models, the experiments presented here are focused on ensuring a constant mass flow over the release duration (currently 120 s) to obtain a stationary jet flame. In addition, stationary outflow tests with hydrocarbons (methane) were also carried out, which are intended to serve as reference tests for checking flame models based on hydrocarbon data. The comparison of the flame geometry shows that hydrogen jet flames with the same outlet mass flow have a greater flame length (average deviation of 15 %) but a smaller flame diameter than methane jet flames (average deviation of 17 %). Conclusions regarding thermal radiation show that the proportion of total combustion energy emitted as thermal radiation is lower for hydrogen (x_rad= 0.04–0.09) than for methane (x_rad = 0.06–0.1). A comparison of the surface emissive power (SEP) of the jet flame shows a SEP range of 7 kW/m2-15 kW/m2 for hydrogen and 3 kW/m2 - 9,5 kW/m2 for methane. KW - Hydrogen KW - Release KW - Thermal radiation KW - Jet flame KW - Radiant heat fraction PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-622891 DO - https://doi.org/10.1016/j.jlp.2024.105491 SN - 1873-3352 VL - 94 SP - 1 EP - 6 PB - Elsevier B.V. AN - OPUS4-62289 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dorgerloh, Ute A1 - Becker, Roland A1 - Freeling, Finnian A1 - Scheurer, Marco A1 - Gökçe, Emine A1 - Strack, Katrin A1 - Sommerfeld, Thomas A1 - Sauer, Andreas A1 - Schneider, Jonas A1 - Härtel, Christoph A1 - Valkov, Vassil A1 - Moser, Lukas A1 - Geiß, Sabine A1 - Junginger, Sabine A1 - Schlittenbauer, Linda A1 - Suess, Elke A1 - Ruth, Katinka T1 - Standardising the quantification of trifluoroacetic acid in water: Interlaboratory validation trial using liquid chromatography-mass spectrometric detection (LC–MS/MS) N2 - The concentration of trifluoroacetic acid in surface and groundwaters and drinking water is subject of increasing concern. Since there is no standardised procedure available, German standardisation body DIN has initiated the first draft standard using liquid chromatography with tandem mass spectrometry (LC–MS/MS) after direct injection for the concentration range between ≥ 0.1 and 3 µg/L. Herein, the interlaboratory comparison as final validation step involving 12 expert laboratories from Germany and Switzerland is described. Two groundwaters, two surface waters, a drinking water, a rainwater, and two fortified groundwater samples displayed relative repeatability standard deviations between 3 and 7% and relative reproducibility standard deviation between 6 and 20% and were included in the draft standard DIN 38407-53. KW - TFA Trifluoroacetic acid KW - LC/MS-MS KW - Validation trial PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-632376 DO - https://doi.org/10.1007/s00769-025-01640-2 SN - 0949-1775 SP - 1 EP - 4 PB - Springer CY - Berlin AN - OPUS4-63237 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Heyn, A. A1 - Kotula, Stefan A1 - Ebell, Gino A1 - Babutzka, M. T1 - Results of a Round Robin Test for the Determination of Polarization Resistances on Differently Weathered Zinc Samples Using Gel Electrolytes N2 - This article presents the results of a round robin test throughout Germany with 19 participating institutions. Corrosion productlayer resistances (RL ) were determined on two differently weathered pure zinc samples and a sample activated with NaOH bymeans of electrochemical measurement of the linear polarization resistance (LPR) using agar‐based gel electrolytes. The roundrobin test was organized by the Bundesanstalt für Materialforschung und ‐prüfung (BAM) in Berlin. The measurements werecarried out by the participants in the period from May to July 2021. The results are summarized in this article comprising anassessment of the reproducibility and repeatability of the measurements. The methodology is suitable for distinguishing zincsurfaces after exposure to different atmospheres based on the corrosion product layer resistances (RL). In addition, possibleproblems in the application of the method were identified, and solutions for improving reproducibility and repeatability arediscussed. The results and knowledge from the round robin test are incorporated into a new test standard (DIN 50023:2024‐07)for this measurement method KW - Corrosion PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630546 DO - https://doi.org/10.1002/maco.202414696 SN - 1521-4176 SP - 1 EP - 12 PB - Wiley AN - OPUS4-63054 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Qi, Naiyu A1 - Somaskandan, Rachana A1 - Graeber, Gustav T1 - High-Precision Surface Tension Measurements of Sodium, Potassium, and Their Alloys via Du Noüy Ring Tensiometry N2 - The development of post-lithium-ion batteries has sparked significant interest in alkali-metal anodes, particularly sodium (Na), potassium (K), and sodium−potassium (Na−K) alloys. Na−K alloys are promising for partially liquid anodes due to their unique low melting points. A critical factor influencing Na−K-based anode performance is wetting behavior, which governs electrical conductivity, mechanical contact, and long-term stability. At the heart of wetting lies surface tension, a fundamental property of solid−liquid− gas interactions. However, the surface tension of alkali metals and their alloys, particularly Na−K systems, remains poorly understood due to experimental and theoretical challenges. This study bridged these gaps by employing Du Noüy ring tensiometry for the first time in alkali-metal systems to measure the surface tension of Na, K, and Na−K alloys across temperatures from ambient to 180 °C. A key innovation in this work is the development of the push-in Du Noüy method, which provided significantly higher precision and reliability compared to the traditional pull-out technique, without requiring a correction factor. The measured surface tension decreased with increasing temperature for the studied Na−K alloys. For instance, for a eutectic Na−K mixture, the surface tension decreases from 121.7 mN m−1 to 112.2 mN m−1 when increasing the temperature from ambient to 180 °C. Additionally, this study presented the first use of Gibbs free energy minimization to model the surface tension of the Na−K system. The robust method significantly enhanced the predictive accuracy compared to the previous simplified model, reducing deviations from 25% to 2%. Our findings reveal that surface tension increases with sodium mole fraction in the bulk phase, yet the surface monolayer remains potassium-rich, indicating non-ideal surface behavior. This study deepens the understanding of alkali-metal wetting behavior, providing valuable insights for designing optimized interfaces in next-generation semi-solid alkali-metal batteries. KW - Sodium−potassium alloy KW - Liquid-metal anodes KW - Alkali metal KW - Batteries KW - Surface tension PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630102 DO - https://doi.org/10.1021/acsami.5c02183 SN - 1944-8252 VL - 17 IS - 17 SP - 25985 EP - 25995 PB - American Chemical Society (ACS) CY - Washington, DC AN - OPUS4-63010 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Simon, Patrick A1 - Schneider, Ronald A1 - Baeßler, Matthias A1 - Morgenthal, Guido T1 - Parallelized adaptive Bayesian updating with structural reliability methods for inference of large engineering models N2 - The reassessment of engineering structures, such as bridges, now increasingly involve the integration of models with realworld data. This integration aims to achieve accurate ‘as-is’ analysis within a digital twin framework. Bayesian model updating combines prior knowledge and data with models to enhance the modelling accuracy while consistently handling uncertainties. When updating large engineering models, numerical methods for Bayesian analysis present significant computational challenges due to the need for a substantial number of likelihood evaluations. The novelty of this contribution is to parallelize adaptive Bayesian Updating with Structural reliability methods combined with subset simulation (aBUS) to improve its computational efficiency. To demonstrate the efficiency and practical applicability of the proposed approach, we present a case study on the Maintalbrücke Gemünden, a large railway bridge. We leverage modal property data to update a linear-elastic dynamic structural model of the bridge. The parallelized aBUS approach significantly reduces computational time, making Bayesian updating of large engineering models feasible within reasonable timeframes. The improved efficiency allows for a wider implementation of Bayesian model updating in structural health monitoring and maintenance decision support systems. KW - Bayesian model updating KW - Bayesian updating with structural reliability methods KW - Structural health monitoring KW - Parallelization KW - Modal analysis KW - Railway bridge PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-633686 DO - https://doi.org/10.1177/13694332251346848 SN - 1369-4332 SN - 2048-4011 SP - 1 EP - 26 PB - Sage AN - OPUS4-63368 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Willeke, Maraike A1 - Giese, Marcel A1 - Lorenz, Swenja A1 - Treutler, Kai A1 - Schröpfer, Dirk A1 - Wesling, Volker A1 - Kannengießer, Thomas T1 - Effect of alloy modification on the wear protection coatings made of Ni- and Co-based materials and surface machinability via ultrasonic milling process N2 - AbstractWear-resistant coatings are required for highly efficient and economical steel components in equipment, process, and power plant engineering to withstand high corrosive, tribological, thermal, and mechanical stresses. Co-alloys are used as wear-resistant coatings for steel components, tailored to the specific application. The substitutability of Co alloys with Ni-based wear protection systems, in addition to price and supply uncertainties, is facilitated by the combination of innovative welding and machining processes such as ultrasonic-assisted milling. The aim of the study is to improve the machinability of two different hard-facing alloys while maintaining the same wear protection potential. Therefore, the wear-resistant alloys NiMoCrSi (Colmonoy C56) and CoMnCrSi (Tribaloy T400) were modified by the alloying additions Nb, Hf, and Ti and then applied to a carbon-manganese steel S355 using the plasma transfer arc (PTA) welding process. The influence of the alloying additions on the microstructure as KW - Wear resistance KW - Co-based alloy KW - Ni-based alloy KW - PTA welding process KW - Ultrasonic assisted milling process PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-623931 DO - https://doi.org/10.1007/s00170-024-14955-0 SN - 0268-3768 SP - 1 EP - 17 PB - Springer Science and Business Media LLC AN - OPUS4-62393 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Liepold, Philipp A1 - Kromm, Arne A1 - Kannengießer, Thomas T1 - Transvarestraint testing of high-strength steel filler metal N2 - High-strength steel welds are typically not known to be susceptible to Solidification Cracking (SC). However, modern light-weight constructions may force welding in highly restrained conditions, which are known to increase the probability of Solidification Crack (SC) emergence. In this article, the Modified Varestraint-Transvarestraint (MVT) test was used to evaluate the hot cracking susceptibility of welds made from high-strength, low-alloyed filler material. The materials tested include solid wires and a metal-cored wire. All wires are typically used in the Gas Metal Arc Welding (GMAW) process. Susceptibility to SC was measured over a wide range of welding parameters and bending speeds. Results show little affinity of the tested materials to SC. However, crack length increases in most cases with arc energy ( U ∙ I∕welding speed ) and welding speed. The length of the longest crack in one test specimen follows a similar trend until high welding speeds, where stagnation of crack length with changing arc energy was observed. KW - MVT KW - Varestraint KW - Transvarestraint KW - Solidification cracking KW - High-strength steel PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630084 DO - https://doi.org/10.1007/s40194-025-02042-1 SN - 1878-6669 VL - 2025 SP - 1 EP - 12 PB - Springer CY - Berlin ; Heidelberg AN - OPUS4-63008 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Michalska, Karina A1 - Heiermann, Monika A1 - Lühr, Carsten A1 - Meermann, Björn A1 - Pecenka, Ralf A1 - Schulz, Andreas A1 - Langhammer, Nicole A1 - Theuerl, Susanne A1 - Prochnow, Annette T1 - Potentials of typical plant species from rewetted fenlands for the supply of strategic elements N2 - Rewetting of peatlands requires the development of new biomass utilization pathways. The supply of strategic elements with key importance for the development of priority technologies, such as germanium (Ge), silicon (Si) and rare earth elements, from fenland plants is one option. To provide a first estimation of the potential, concentrations of strategic elements were determined in nine biomass samples covering typical fenland vegetation in northeast Germany. Subsequently, a simplified estimation of potential revenue from strategic element recovery was made. The analysed plant species can be classified as high or intermediate Si plant accumulators with highest contents of more than 16.0 g Si kg−1 dry mass (DM) in sedges and common reeds. Ge concentrations were lower with reed canary grass containing the highest amounts of 465.3 µg Ge kg−1 DM. Simultaneous acquisition of Ge and Si could provide higher total element yields and revenues of up to 500 $ ha−1. In contrast, the potentials for supplying rare earth elements appeared to be very low, with common reed containing the highest sum of rare earth elements of 437.4 µg kg−1 DM. Biomass from rewetted fenlands is capable of accumulating strategic elements. More knowledge is required to understand the factors affecting their accumulation. KW - Recycling KW - Fenlands KW - Strategic elements PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-635631 DO - https://doi.org/10.1038/s41598-025-05180-0 SN - 2045-2322 VL - 15 IS - 1 SP - 1 EP - 14 PB - Springer Science and Business Media LLC AN - OPUS4-63563 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zhuang, Yiling A1 - Haderlein, Stefan B. A1 - Lutze, Holger V. A1 - Sun, Chen A1 - Fink, Friedrich A1 - Paul, Andrea A1 - Spahr, Stephanie T1 - Persulfate activation by biochar for trace organic contaminant removal from urban stormwater N2 - Persistent and mobile trace organic contaminants (TrOCs) in urban stormwater are difficult to remove through sedimentation- or sorption-based treatment and pose a risk to aquatic ecosystems and drinking water supplies. We demonstrate that the chemical oxidant peroxydisulfate (PDS) can be activated by shrimp shell biochar at pH 7 to form reactive species that selectively react with widespread stormwater contaminants. Of 11 TrOCs tested, oxidative transformation was observed for 1,3-diphenylguanidine, 2-hydroxybenzothiazole, 1H-benzotriazole, 5-methyl-benzotriazole, and diuron during water treatment with biochar and PDS. Laboratory batch experiments conducted with street runoff and a synthetic water showed that the water matrix, containing up to 7.5 mg L-1 dissolved organic carbon and 100 mM chloride, had a minor effect on the formation of reactive species and contaminant transformation. Using a set of scavengers and probe compounds, we provide evidence for singlet oxygen (1O2) as the predominant reactive species in the biochar/PDS system, which is in agreement with the selectivity of the process to oxidize electron-rich organic contaminants. The results of our study inform new strategies for stormwater treatment using heterogeneous oxidation processes for the abatement of persistent and mobile organic contaminants. KW - Stormwater treatment KW - Oxidation processes KW - Pyrogenic carbon PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637952 DO - https://doi.org/10.1016/j.watres.2025.123921 SN - 0043-1354 VL - 284 SP - 1 EP - 8 PB - Elsevier Ltd. AN - OPUS4-63795 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rosenbusch, Ivo A1 - Arai, Marylyn Setsuko A1 - Rizzo, Fabio A1 - de Camargo, Andrea S. S. A1 - Ravoo, Bart Jan T1 - A host–guest approach to ratiometric pH sensing using upconversion nanoparticles N2 - A new pH nanosensor based on β-NaYF4:Yb3+/Tm3+ upconversion nanoparticles functionalized with cyclodextrin and a pH-sensitive adamantane-modified nitrobenzoxadiazole dye (NBD-Ad). KW - Host-guest materials KW - Upconversion nanoparticles KW - Ratiometric optical sensors KW - pH sensing PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637722 DO - https://doi.org/10.1039/d5na00145e SN - 2516-0230 VL - 7 IS - 13 SP - 4142 EP - 4151 PB - Royal Society of Chemistry (RSC) AN - OPUS4-63772 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bourgon, Nicolas A1 - Oelze, Marcus A1 - Roberts, Patrick T1 - Less is more: Limiting semi-invasive sampling for multi-isotope analyses and increasing data output from single aliquot samples N2 - Developments in multi-isotope applications now enable the production of direct and precise life history data of studied archeological and paleoanthropological specimens, with analysis of tooth enamel proving particularly powerful in deep-time preservation contexts. However, the increasing amount of sample material necessary too-often compromises the specimen's structural integrity. Finding ways of minimizing semi-invasive sampling while maximizing produced data thus becomes increasingly crucial. In this study, we examine ways of optimizing sample use for state-of-the-art isotope measurements of enamel-bound zinc (δ66Zn), an increasingly used method in multi-isotope archeological research. We show that certain desolvating nebulizer introduction systems can be used to measure δ66Zn with high efficiency and accuracy using less than half the usual sample size. Moreover, we demonstrate that remaining samples subjected to typical pretreatments used for tooth enamel carbonate (δ13C and δ18O) studies can be safely used without alterations to δ66Zn values. Similarly, we highlight that the often-discarded matrix fraction from zinc chromatography can be utilized for further analyses, such as measurements of 87Sr/86Sr ratios. Our results underscore the possibility of extracting the maximum information from specimens while altogether avoiding or significantly reducing semi-invasive sampling. KW - Multi-isotope KW - Zinc isotope analysis KW - Tooth enamel PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637986 DO - https://doi.org/10.1016/j.jas.2025.106308 SN - 0305-4403 VL - 180 SP - 1 EP - 8 PB - Elsevier Ltd. AN - OPUS4-63798 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Popiela, Bartosz A1 - Günzel, Stephan A1 - Schukar, Marcus A1 - Mair, Georg W. A1 - Krebber, Katerina A1 - Seidlitz, Holger T1 - Impact of internal pressure control during manufacturing on residual stresses and safety performance of type 4 pressure vessels N2 - Composite pressure vessels are commonly manufactured using the wet filament winding process, where various process parameters can influence the performance of the finished component. In this study two designs of wet filament wound 6.8-liter type 4 composite pressure vessels were manufactured. Both differ only by the internal pressure used during the filament winding, which primarily influences the residual stress state in the composite structure. An extensive experimental study was carried out, including 10 slow burst tests and strain measurements with fiber optic sensors. Significant differences can be observed in the performance of the two designs even though the used stacking sequence, materials and other manufacturing parameters are the same for both designs. A discussion of the differences in the behavior of both cylinder types is provided, including the strain distribution in slow burst tests and failure mechanism. KW - Residual stresses KW - Slow burst tests KW - Filament winding KW - Type 4 composite pressure vessels KW - Hydrogen PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626663 DO - https://doi.org/10.1016/j.jcomc.2025.100581 SN - 2666-6820 VL - 17 SP - 1 EP - 9 PB - Elsevier B.V. CY - Amsterdam, Netherlands AN - OPUS4-62666 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Xie, Zhuocheng A1 - Atila, Achraf A1 - Guénolé, Julien A1 - Korte-Kerzel, Sandra A1 - Al-Samman, Talal A1 - Kerzel, Ulrich T1 - Predicting grain boundary segregation in magnesium alloys: An atomistically informed machine learning approach N2 - Grain boundary (GB) segregation substantially influences the mechanical properties and performance of magnesium (Mg). Atomic-scale modeling, typically using ab-initio or semi-empirical approaches, has mainly focused on GB segregation at highly symmetric GBs in Mg alloys, often failing to capture the diversity of local atomic environments and segregation energies, resulting in inaccurate structure-property predictions. This study employs atomistic simulations and machine learning models to systematically investigate the segregation behavior of common solute elements in polycrystalline Mg at both 0 K and finite temperatures. The machine learning models accurately predict segregation thermodynamics by incorporating energetic and structural descriptors. We found that segregation energy and vibrational free energy follow skew-normal distributions, with hydrostatic stress, an indicator of excess free volume, emerging as an important factor influencing segregation tendency. The local atomic environment’s flexibility, quantified by flexibility volume, is also crucial in predicting GB segregation. Comparing the grain boundary solute concentrations calculated via the Langmuir-McLean isotherm with experimental data, we identified a pronounced segregation tendency for Nd, highlighting its potential for GB engineering in Mg alloys. This work demonstrates the powerful synergy of atomistic simulations and machine learning, paving the way for designing advanced lightweight Mg alloys with tailored properties. KW - Machine learning KW - Grain boundary segregation KW - Magnesium alloys KW - Atomistic simulation PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-638499 DO - https://doi.org/10.1016/j.jma.2025.03.021 SN - 2213-9567 VL - 13 IS - 6 SP - 2636 EP - 2650 PB - Elsevier B.V. AN - OPUS4-63849 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Yang, Chunliang A1 - Yang, Fan A1 - Meng, Xiangmeng A1 - Putra, Stephen Nugraha A1 - Bachmann, Marcel A1 - Rethmeier, Michael T1 - Multi-refining effects of an AC electromagnetic field on the microstructure in AA5754 laser beam welding N2 - Fine-grain structure is beneficial to the mechanical properties of the joint. Different kinds of grain and sub-grain structures refined by magnetic field during laser beam welding of AA5754 aluminum alloy are analyzed in this manuscript, and the influences of different magnetic field parameters (magnetic flux density and frequency) in these refining effects are also studied. Using the scanning electron microscope (SEM), the sub-grain structure near the fusion line was obtained, and it was found that the branching promotion and branches refinement can be achieved by the magnetic field. The branches become finer with the magnetic flux density or frequency increases, and this effect is stronger in the dendritic region than in the equiaxed region. The results of electron backscatter diffraction (EBSD) in the equiaxed region show that a high-frequency magnetic field can greatly reduce the average grain size, while a low-frequency one has little effect. A phenomenological nucleation model based on dendrite fragmentation theory was established, and it was introduced into the phase field model to analyze the equiaxed grains evolution process. In addition, another refinement mechanism was also observed. The periodic solidification pattern caused by the unstable solidification in the molten pool can refine the grains, and the magnetic field promotes this kind of grain refinement by promoting the solidification period. KW - Laser beam welding KW - Magnetic field KW - Aluminum alloy KW - Crystal branch development KW - Periodic solidification pattern KW - Grain refinement PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637222 DO - https://doi.org/10.1016/j.ijheatmasstransfer.2025.127509 SN - 0017-9310 VL - 252 SP - 1 EP - 16 PB - Elsevier Ltd. AN - OPUS4-63722 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Seifert, Lando A1 - Müller, Thoralf A1 - Bettge, Dirk A1 - Moersch, Jörg A1 - Isecke, Bernd A1 - Ebell, Gino T1 - Stress Corrosion Tests for Prestressing Steels—Part 2: Susceptibility of Quenched and Tempered Wires—Influence of Chromium N2 - Due to the risk of failure in existing prestressed concrete bridges, the assessment of the susceptibility of prestressing steel to hydrogen‐induced stress corrosion cracking will become more important in the future. At present, the used normative ISO 15630‐3 test gives unpersuasive and diverging results using a free corrosion approach for the needed hydrogen charging for stress corrosion cracking initiation. A newly developed test method uses the cathodic polarization to control the supply of electrons for hydrogen charging instead of an uncontrolled and variable supply of electrons by metal dissolution during free corrosion. Experimental data shows a reliable differentiation between highly susceptible known quenched and tempered wires and robust cold‐drawn wires with this new test. A round robin with eight participating testing institutes demonstrated the reproducibility of results testing a cold‐drawn wire batch of St 1470/1670. In contrast to previously reported experience in the literature, the new method ranks the Cr‐alloyed quenched and tempered (“new‐type”) wires as highly‐susceptible as the “old‐type” wires without Cr‐alloy. KW - Cathodic polarization KW - Chemical composition KW - Chromium KW - Prestressing steels KW - Quenched and tempered KW - Stress corrosion cracking KW - Susceptibility KW - Wires PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-639735 DO - https://doi.org/10.1002/maco.70033 SN - 0947-5117 SP - 1 EP - 10 PB - Wiley-VCH CY - Weinheim AN - OPUS4-63973 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Janczynski, Jessica A1 - Tewes, Andreas A1 - Ulbricht, Alexander A1 - Jaenisch, Gerd-Rüdiger T1 - Evaluation Metrics for Comparison between Virtual and Industrial XCT N2 - Simulations of XCT systems, as employed in the context of the manufacturing and design process, represent a time-saving, cost- and resource-efficient alternative to repeated experimental measurements. This article is dedicated to the development and evaluation of various metrics that should enable an adequate verification and optimization of a XCT simulation of an experimental XCT system. The present study employed statistical evaluation as a methodological approach. The present article makes a significant contribution to the optimization of the development process of a XCT simulation and provides a foundation for future research activities in this field. KW - Computed Tomography KW - Computertomographie KW - aRTist KW - Simulation KW - Virtual CT KW - Evaluation PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-641444 DO - https://doi.org/10.1007/s10921-025-01213-w SN - 0195-9298 VL - 44 IS - 4 SP - 1 EP - 11 PB - Springer Science and Business Media LLC CY - Berlin/Heidelberg AN - OPUS4-64144 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Biegler, Max A1 - Yang, Keke A1 - Meschut, Gerson A1 - Rethmeier, Michael T1 - Occurrence and avoidance of liquid metal embrittlement in resistance spot welding of springback-afflicted deep-drawn components N2 - This study investigates the occurrence and mitigation of liquid metal embrittlement occurring during resistance spot welding in deep-drawn automotive components, specifically focusing on an S-Rail made from advanced high-strength steel. A simulation-based liquid metal embrittlement risk criterion based on local major component stresses was established and used to quantify and compare liquid metal embrittlement risks between different tests. Experimental and numerical analyses were conducted, revealing that springback significantly impacts liquid metal embrittlement formation. Adjustments in electrode geometry and hold time post-welding were found to mitigate liquid metal embrittlement risks. The effects of stack-up configuration and related parameter settings on liquid metal embrittlement occurrence were identified and liquid metal embrittlement was effectively prevented across both stack-up configurations. These findings advance the understanding of liquid metal embrittlement mechanisms and provide practical approaches to enhance the spot weld quality in AHSS-based body-in-whites. KW - Liquid metal embrittlement KW - Crack KW - Advanced high-strength steels KW - Resistance spot welding KW - Weld current KW - Heat input KW - Simulation KW - Springback KW - Deep drawing KW - S-Rail PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-636577 DO - https://doi.org/10.1177/13621718251340452 SN - 1362-1718 SP - 1 EP - 9 PB - SAGE Publications AN - OPUS4-63657 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Liao, Chun-Man A1 - Niederleithinger, Ernst A1 - Bernauer, F A1 - Igel, H A1 - Hadziioannou, Céline T1 - Wave-Screening Methods for Prestress-Loss Assessment of a Large-Scale Post-Tensioned Concrete Bridge Model Under Outdoor Conditions N2 - This paper presents advancements in structural health monitoring (SHM) techniques, with a particular focus on wave-screening methods for assessing prestress loss in a large-scale prestressed concrete (PC) bridge model under outdoor conditions. The wave-screening process utilizes low-frequency wave propagation obtained from seismic interferometry of structural free vibrations and high-frequency wave propagation obtained through ultrasonic transducers embedded in the structure. An adjustable post-tensioning system was employed in a series of experiments to simulate prestress loss. By comparing bridge vibrations under varying post-tensioning forces, the study investigated prestress loss and examined temperature-related effects using the coda wave interferometry (CWI) method. Local structural alterations were analyzed through wave velocity variations, demonstrating sensitivity to bridge temperature changes. The findings indicate that wave-based methods are more effective than traditional modal analysis for damage detection, highlighting the dual impacts of prestress loss and temperature, as well as damage localization. This study underscores the need for long-term measurements to account for temperature fluctuations when analyzing vibration measurements to investigate changes in prestressing force in PC structures. KW - Coda wave interferometry KW - Damage detection KW - Prestress loss KW - Seismic interferometry KW - SHM KW - Temperature influence KW - Ultrasonics KW - Wave-screening PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634244 UR - https://www.mdpi.com/2076-3417/15/11/6005 DO - https://doi.org/10.3390/app15116005 VL - 15 IS - 11 SP - 1 EP - 18 PB - MDPI AN - OPUS4-63424 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Müller, Vinzenz A1 - Fasselt, Janek Maria A1 - Klötzer-Freese, Christian A1 - Kruse, Tobias A1 - Kleba-Ehrhardt, Rafael A1 - Biegler, Max A1 - Rethmeier, Michael T1 - Recycling nickel aluminium bronze grinding chips to feedstock for directed energy deposition via impact whirl milling: Investigation on processability, microstructure and mechanical properties N2 - During the production of ship propellers, considerable quantities of grinding chips from nickel aluminium bronze are produced. This paper examines the mechanical comminution of such chips via impact whirl milling and the utilization of two chip-powder batches as feedstock for a laser-based directed energy deposition process. The materials are characterized via digital image analysis, standardized flowability tests, scanning electron microscopy and energy dispersive X-ray spectroscopy and are compared to conventional, gas atomized powder. The specimens deposited via directed energy deposition are analyzed for density, hardness and microstructure and tensile properties for vertical and horizontal build up directions are compared. At elevated mill rotation speeds, the comminution with impact whirl milling produced rounded particles, favorable flow properties and particle size distribution, making them suitable to deposit additive specimens. The microstructure exhibited characteristic martensitic phases due to the high cooling rates of the additive manufacturing process. The presence of ceramic inclusions was observed in both the powder and on the tensile fracture surfaces, partly impairing the mechanical properties. However, specimens in the vertical build-up direction (Z) showed competitive tensile results, with 775 MPa in tensile strength, 455 MPa in yield strength and 12.6 % elongation at break. The findings of this study indicate that recycling of machining chips to additive manufacturing feedstock can be a viable option for reducing material costs and environmental impact. KW - Nickel aluminium bronze KW - Grinding chips KW - Recycling KW - Directed energy deposition KW - Material characterization PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-633442 DO - https://doi.org/10.1016/j.addma.2025.104804 SN - 2214-8604 VL - 105 SP - 1 EP - 9 PB - Elsevier BV AN - OPUS4-63344 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Feord, Helen K. A1 - Trautwein-Schult, Anke A1 - Keuschnig, Christoph A1 - Ostrzinski, Anne A1 - Peter, Elisa K. A1 - Jaeger, Carsten A1 - Lisec, Jan A1 - Mourot, Rey A1 - Peters, Ravi Sven A1 - Çiftçi, Ozan A1 - Tranter, Martyn A1 - Anesio, Alexandre M. A1 - Becher, Dörte A1 - Benning, Liane G. T1 - Algae-dominated metaproteomes uncover cellular adaptations to life on the Greenland Ice Sheet N2 - Eukaryotic algae-dominated microbiomes thrive on the Greenland Ice Sheet (GrIS) in harsh environmental conditions, including low temperatures, high light, and low nutrient availability. Chlorophyte algae bloom on snow, while streptophyte algae dominate bare ice surfaces. Empirical data about the cellular mechanisms responsible for their survival in these extreme conditions are scarce. This knowledge gap was addressed by quantifying proteins for both algal taxa from samples on the southern margin of the GrIS. We show that the streptophyte glacier ice algae have a relative enrichment in proteins involved in environmental signaling and nutrient transport, indicative of cellular readiness to dynamically respond to extreme GriS environmental cues, linked, for example, to photoprotection and the rapid update of scarce nutrients. In contrast, the chlorophyte snow algae have a high abundance of proteins linked to lipid and nitrogen metabolisms, providing evidence for the biological processes sustaining the cellular carbon and nitrogen stores necessary for survival in an oligotrophic environment. We also identify proteins in both taxa linked to the synthesis and breakdown of key cellular pigments. Our study gives novel insights into the cellular biology of these algae and their adaptation to extreme environments. KW - Metabolic profiling KW - Mass spectrometry KW - Ice algae PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-641037 DO - https://doi.org/10.1038/s41522-025-00770-2 SN - 2055-5008 VL - 11 IS - 1 SP - 1 EP - 11 PB - Springer Science and Business Media LLC AN - OPUS4-64103 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 - 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 - Epple, Niklas A1 - Schumacher, Thomas A1 - Murtuz, A. K. M. Golam A1 - Niederleithinger, Ernst A1 - Dusicka, Peter T1 - Combined passive and active ultrasonic stress wave monitoring of a full‑scale laboratory reinforced concrete bridge column subject to reverse‑cyclic lateral loading N2 - Effective monitoring of reinforced concrete structures requires techniques that detect early-stage material change and active, localized cracking. This study investigates a combined structural health monitoring approach using passive acoustic emission and active ultrasonic methods on a full-scale reinforced concrete bridge column subjected to reverse-cyclic lateral loading. Active monitoring, based on coda wave interferometry, was used to track changes in wave velocity and waveforms, while passive acoustic emission monitoring was used to detect crack activity. The instrumentation consisted of three embedded ultrasonic transducers and three surface-mounted acoustic emission sensors. The results show that active ultrasonic monitoring is most effective prior to visual damage, successfully detecting the onset of internal cracking via wave velocity decreases exceeding 0.4%, and distinguishing load-induced effects from permanent damage. However, its utility diminished in later stages of damage progression, as strong signal decorrelation hindered further data interpretation. Additionally, active US measurements allowed a comparison of damage severity in different parts of the column. Conversely, passive acoustic emission monitoring effectively tracked the formation of concrete cracks throughout the experiment, with distinct event clusters and high-amplitude signals (> 60 dB) confirming ongoing fracture processes in all damage states. This study confirms that combining these methods results in a more robust structural health monitoring strategy by leveraging their complementary strengths. Active techniques excel at tracking continuous material changes in early damage states, while passive methods are superior for detecting discrete cracking events as damage progresses. Importantly, both methods can utilize the same measurement equipment, enabling a cost-effective approach to continuous damage tracking. KW - Coda wave interferometry KW - Active ultrasonic monitoring KW - Acoustic emission KW - Structural health monitoring KW - Nondestructive evaluation PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-638689 DO - https://doi.org/10.1007/s13349-025-00996-w SN - 2190-5479 SP - 1 EP - 24 PB - Springer Nature AN - OPUS4-63868 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Löwa, N. A1 - Golusda, L. A1 - Paclik, D. A1 - Traub, Heike A1 - Schannor, Mathias A1 - Saatz, Jessica A1 - Freise, C. A1 - Taupitz, M. A1 - Siegmund, B. A1 - Kühl, A. A. A1 - Wiekhorst, F. T1 - Magnetic particle spectroscopy for Eu-VSOP quantification in intestinal inflammation: Distinguishing nanoparticle signals from dietary contamination N2 - Magnetic nanoparticles are gaining increasing attention as a promising alternative to gadolinium-based contrast agents in magnetic resonance imaging, primarily due to their low toxicity. In this study, we investigated the use of magnetic iron oxide nanoparticles in mouse models of intestinal inflammation to assess their potential for detecting changes in the extracellular matrix. For magnetic quantification, we employed magnetic particle spectroscopy, which offers high sensitivity and minimal interference from biological tissue. However, we observed significant variations in magnetic signals within the intestine, as well as measurable signals in control animals, indicating possible magnetic contamination. By doping the nanoparticles with europium, we were able to confirm this suspicion through quantitative elemental analysis. Examination of mouse feed and feces allowed us to identify the source of contamination. Based on these findings, we developed a method to reliably distinguish genuine signals of magnetic nanoparticles from those caused by external magnetic contaminations. This approach is essential to ensure reliable results in future diagnostic and preclinical research. KW - ICP-MS KW - Nanoparticle KW - Magnetic particle spectroscopy KW - Quantification PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-642238 DO - https://doi.org/10.1039/D5NA00452G SN - 2516-0230 IS - 00452 SP - 1 EP - 10 PB - Royal Society of Chemistry (RSC) CY - Cambridge AN - OPUS4-64223 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Walter, Keven A1 - Hoch, Dominik P. A1 - Hertweck, Leon A1 - Balasubramanian, Kannan A1 - Geisler, Jonas A1 - Röllig, Mathias A1 - Neubert, Tilmann J. A1 - Börner, Hans G. T1 - Unlocking the Essence of Lignin: High‐Performance Adhesives That Bond via Thiol‐Catechol Connectivities and Debond on Electrochemical Command N2 - AbstractThe next generation of adhesives requires effective debonding capabilities that can be triggered on demand to enable advanced circular repair and recycling strategies. A new class of lignin‐inspired, two‐component (2K) structural adhesives offers bonding strengths of up to 20 MPa and clean, on‐command electrochemical debonding within 5–30 min. The debonding is induced by a distinct electrochemical oxidation of thiol‐catechol connectivities (TCCs) within the entire adhesive network, enforcing rapid and clean adhesive failure on the cathodic substrate side. The TCC‐functionalities are formed during curing by a thiol‐quinone Michael‐type polyaddition, reacting polyester‐based trithiols with tris‐quinones as lignin‐inspired minimal building blocks. The structural adhesive can be fine‐tuned by adjusting the formulation. The addition of carbon black and ionic liquids facilitates the desired electrochemical transformation of TCC‐catechols to TCC‐quinones. Applying only 9 V for 5–30 min, leads to clean debonding with 72–86% loss of shear strength. A comprehensive study of curing, bonding, and debonding behavior by rheological, spectroscopic, and electrochemical investigations reveals the debonding mechanism by correlating catechol oxidation to adhesive performance. The electrochemical debonding capability of TCC‐structural adhesives is demonstrated in a functional prototype, where on‐command detachment of a cover glass from a display device is achieved within 6.5 min. KW - Lignin-inspired KW - Electrochemical-Debonding KW - Thiol-Catechol-Connectivity (TCC) KW - Michael-Type Polyaddition KW - On-Demand Adhesive Failure PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-639674 DO - https://doi.org/10.1002/adma.202510463 SN - 0935-9648 SP - 1 EP - 10 PB - Wiley VHC-Verlag CY - 69451 Weinheim AN - OPUS4-63967 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Yildirim, Arda A1 - Haug, T. C. V. A1 - Fröba, M. A1 - Huber, P. A1 - Schönhals, Andreas T1 - Molecular fluctuations in mixed-metal MOF-74: influence of the metal composition N2 - A selected series of metal–organic frameworks M-MOF-74 (M = Mg, Co, Ni) and mixed metal MM-MOF-74 (Mg/Co or Mg/Ni) with different compositions of metal atoms have been prepared and further investigated by broadband dielectric spectroscopy (BDS) in a wide temperature range. The dielectric spectra show at least two relaxation processes. Process-A is observed only for the Ni-containing MOFs and is attributed to localized fluctuations of the metal oxide corners. Relaxation processes-B and -C are observed for all prepared MOFs, except that process-B is not observed for Ni-MOF-74. Large-angle fluctuations such as free rotations of the linkers can be excluded due to the structure of MOF-74, but small-angle fluctuations such as torsions are possible. According to numerical simulations carried out for MOF-74, process-B can be attributed to inward and outward fluctuations of the linkers relative to the pore center. Process-C is related to small-angle rotational fluctuations of the linker together with co-rotations of the metal nodes. The latter interpretation is supported by the dependence of the activation energy of the relaxation rate of process-C on the metal composition of the MOFs, which is discussed in terms of the bond lengths between the metal atoms and the linker which decrease in the sequence Mg, Co and Ni. KW - Metal Organic Frameworks PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-639378 DO - https://doi.org/10.1039/d5ra05357a SN - 2046-2069 VL - 15 IS - 35 SP - 29109 EP - 29118 PB - Royal Society of Chemistry (RSC) AN - OPUS4-63937 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Popiela, Bartosz A1 - Kim, Kyunghwan A1 - Lee, Kyu-Jin A1 - Lee, Jung-Ryul T1 - Impact of internal pressure regulation in filament winding on the quality of composite cylinders: a study with pulse-echo ultrasonic propagation imaging N2 - To ensure the safety of composite pressure vessels considering the growing usage, this case study investigates how wet filament winding parameters affect quality of composite cylinders. Two 6.8-liter Type 4 cylinders with identical geometry and fiber stacking sequence were analyzed using pulse-echo ultrasonic propagation imaging. One cylinder was wound under constant internal pressure, while the other used increasing pressure to influence residual stress and influence imperfections. This difference led to distinct failure mechanisms in burst tests. The study focused on identifying porosity and resin-rich areas, visualized through ultrasonic wave propagation imaging and variable time-window amplitude mapping. Results revealed that the cylinder wound with increasing pressure had better composite consolidation but more resin-rich areas in the hoop windings. The findings demonstrate the effectiveness of pulse-echo ultrasonic imaging as a non-destructive method for detecting manufacturing-induced imperfections and highlight the importance of optimizing filament winding parameters to enhance composite quality. KW - Composite KW - Pressure vessel KW - Wet filament winding KW - Pulse-echo ultrasonic propagation imaging PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-639801 DO - https://doi.org/10.1080/09243046.2025.2547457 SN - 1568-5519 SP - 1 EP - 18 PB - Taylor & Francis AN - OPUS4-63980 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -