TY - JOUR A1 - Martin, T. A1 - Zimmermann, E. A1 - Klitzsch, N. A1 - Hördt, A. A1 - Huisman, J. A. A1 - Radic, T. A1 - Kruschwitz, Sabine T1 - Round-robin test of SIP laboratory measurements using electrical test networks N2 - This study presents the results of an interlaboratory test designed to evaluate the accuracy of spectral induced polarization (SIP) measurements using controlled electrical test networks. The study, conducted in Germany since 2006, involved 12 research institutes, six different impedance measurement devices and four types of electrical test networks specifically designed to evaluate phase shift errors in SIP measurements. The test networks, with impedances ranging from 100 to 150 kΩ, represent high-impedance samples with different phase characteristics, and pose the measurement challenges typical of such samples, including high contact impedances and parasitic capacitances. Four key findings emerged from the study: (1) Impedance measurements across all devices showed deviations within 1 per cent over a wide frequency range (0.001–1000 Hz); (2) phase errors remained below 1 mrad up to 100 Hz for most devices, but increased at higher frequencies due to parasitic capacitances and electromagnetic coupling effects; (3) lab-specific instruments have lower phase errors than field instruments when used in a laboratory environment, primarily due to the effects of long cables and too low input impedances of the field instruments; and (4) short cables and driven shielding technology effectively minimized parasitic capacitance and improved measurement accuracy. The study highlights the usefulness of test networks in assessing the accuracy of SIP measurements and raises awareness of the various factors influencing the quality of SIP data. KW - Induced polarization KW - Electrical properties KW - Electrical resistivity tomography (ERT) PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-631522 DO - https://doi.org/10.1093/gji/ggaf153 SN - 0956-540X VL - 242 IS - 1 SP - 1 EP - 13 PB - Oxford University Press (OUP) AN - OPUS4-63152 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schraa, Lucas A1 - Rodricks, Carol A1 - Kalinka, Gerhard A1 - Roetsch, Karl A1 - Scheffler, Christina A1 - Sambale, Anna A1 - Uhlig, Kai A1 - Stommel, Markus A1 - Trappe, Volker T1 - Characterisation and Modelling of the Fibre-Matrix Interface of Short Fibre Reinforced Thermoplastics using the Push-Out Technique N2 - This study investigates the suitability of the single fibre push-out (SFPO) test for the determination of the interfacial shear strength (IFSS) of injection moulded short fibre reinforced thermoplastics. It includes a detailed description of the required sample preparation steps and the boundary conditions of the SFPO setup. Experimental SFPO tests were carried out on PA66 GF, PPA GF35 and PA6 GF50 materials. Furthermore, a finite element model was set up to simulate the behaviour of these materials during this test. The numerical results showed that the inhomogeneous stress distribution in the fibre-matrix interphase during the test causes the measured apparent IFSS to underestimate the true strength of the interphase. The simulations put the experimental results into perspective and provide valuable information for the further development of the test setup. This study therefore not only provides new insights into the interphase strength of injection moulded short fibre reinforced thermoplastics, but also an insight into local load conditions during testing and thus an indication of the true IFSS. KW - GFRP KW - Interface KW - fibre matrix bond KW - single fibre push-out PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626087 DO - https://doi.org/10.1016/j.compositesb.2025.112317 SN - 1879-1069 VL - 297 SP - 1 EP - 8 PB - Elsevier Ltd. CY - Niederlande AN - OPUS4-62608 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Duarte Bernardino, Carolina A1 - Lee, Mihyun A1 - Ren, Qun A1 - Ruehle, Bastian T1 - Facile Spray-Coating of Antimicrobial Silica Nanoparticles for High-Touch Surface Protection N2 - The rising threat from infectious pathogens poses an ever-growing challenge. Metal-based nanomaterials have gained a great deal of attention as active components in antimicrobial coatings. Here, we report on the development of readily deployable, sprayable antimicrobial surface coatings for high-touch stainless steel surfaces that are ubiquitous in many healthcare facilities to combat the spread of pathogens. We synthesized mesoporous silica nanoparticles (MSNs) with different surface functional groups, namely, amine (MSN-NH2), carboxy (MSN-COOH), and thiol groups (MSN-SH). These were chosen specifically due to their high affinity to copper and silver ions, which were used as antimicrobial payloads and could be incorporated into the mesoporous structure through favorable host−guest interactions, allowing us to find the most favorable combinations to achieve antimicrobial efficacy against various microbes on dry or semidry high-touch surfaces. The antimicrobial MSNs were firmly immobilized on stainless steel through a simple two-step spray-coating process. First, the stainless steel surfaces are primed with sprayable polyelectrolyte solutions acting as adhesion layers, and then, the loaded nanoparticle dispersions are spray-coated on top. The employed polyelectrolytes were selected and functionalized specifically to adhere well to stainless steel substrates while at the same time being complementary to the MSN surface groups to enhance the adhesion, wettability, homogeneity, and stability of the coatings. The antimicrobial properties of the nanoparticle suspension and the coatings were tested against three commonly found pathogenic bacteria, Staphylococcus aureus, Pseudomonas aeruginosa, and Escherichia coli, as well as a fungal pathogen, Candida albicans. Especially MSN-SH loaded with silver ions showed excellent antimicrobial efficacy against all tested pathogens under application-relevant, (semi)dry conditions. The findings obtained here facilitate our understanding of the correlation between the surface properties, payloads, and antimicrobial activity and show a new pathway toward simple and easily deployable solutions to combat the spread of pathogens with the help of sprayable antimicrobial surface coatings. KW - Mesoporous silica nanoparticles KW - Thin films KW - Antimicrobial coatings KW - Spray-coating KW - Infectious diseases KW - Pathogen transmission KW - High-touch surfaces PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626269 DO - https://doi.org/10.1021/acsami.4c18916 SN - 1944-8252 SP - 1 EP - 13 PB - ACS Publications CY - Washington, DC AN - OPUS4-62626 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mishmastnehi, Moslem A1 - Stawski, Tomasz M. A1 - Eftekhari, Negar A1 - Schneider, Kathrin P. A1 - Vaccaro, Carmela A1 - Aghajani, Iman A1 - Grbanovic, Ana Marija A1 - Korn, Lorenz T1 - Unveiling the craftsmanship and knowledge behind iranian stuccoes (11th–14th centuries): New insights from an archaeometric perspective N2 - Gypsum-based stucco decorations of 47 monuments in Iran, from the Seljuq to the Ilkhanid period (11th-14th centuries), were studied by multimodal analytical methods, including X-ray diffraction, X-ray fluorescence, scanning electron microscopy and image analysis to evaluate their composition properties. The assessment of results shows that stucco masters in those periods exerted control over the setting process of the gypsum-paste and its microstructure by adjusting water-to-plaster ratio, fine-clay addition, and by means of mechanical processing. Furthermore, the presence of anhydrite in the composition of stucco decorations located in the hot-desert climate of Iran provides evidence for the probability of gypsum-anhydrite transition, which has technical and preservation consequences for this less-investigated type of cultural materials. KW - Gypsum KW - Diffraction KW - Anhydrite KW - Calcium sulfate PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-628406 DO - https://doi.org/10.1016/j.jas.2025.106199 SN - 1095-9238 VL - 177 SP - 1 EP - 13 PB - Elsevier B.V. AN - OPUS4-62840 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Senbill, Haytham A1 - Gangan, Amr A1 - Saeed, Ahmed M. A1 - Gad, Mohammed E. A1 - Zeb, Jehan A1 - Fahmy, Alaa T1 - Effects of copper/graphene oxide core-shell nanoparticles on Rhipicephalus ticks and their detoxification enzymes N2 - Nanopesticides have been recently introduced as novel pesticides to overcome the drawbacks of using traditional synthetic pesticides. The present study evaluated the acaricidal activity of Copper/Graphene oxide core-shell nanoparticles against two tick species, Rhipicephalus rutilus and Rhipicephalus turanicus. The Copper/Graphene oxide core-shell nanoparticles were synthetized through the solution plasma (SP) method under different conditions. The nanoparticles synthesized at 180 W and 45 min were highly toxic to Rh. rutilus and Rh. turanicus, with 50% lethal concentration (LC50) values of 248.1 and 195.7 mg ml−1, respectively, followed by those which were synthesized at 120 W/30 mins (LC50 = 581.5 and 526.5 mg ml−1), 120 W/15 mins (LC50 = 606.9 and 686.7 mg ml−1), and 100/45 mins (LC50 = 792.9 and 710.7 mg ml−1), after 24 h of application. The enzyme assays revealed that 180 W/45 min treatment significantly inhibited the activity of acetylcholinesterase (115 ± 0.81 and 123 ± 0.33 U/ mg protein/min) and superoxide dismutase (290 ± 0.18 and 310 ± 0.92 U/ mg protein/min) in Rh. rutilus and Rh. turanicus, respectively, as compared with the negative control. The results also revealed a significantly increased catalase activity (895 ± 0.37 and 870 ± 0.31 U/ mg protein/min) in Rh. rutilus and Rh. turanicus, respectively. The above results indicated that Copper/Graphene oxide core-shell nanoparticles could be a promising alternatives for the management of ticks. KW - Copper/graphene oxide KW - Nanopesticides KW - Rhipicephalus rutilus KW - Rhipicephalus turanicus KW - Acetylcholinesterase KW - Antioxidants PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-629359 DO - https://doi.org/10.1038/s41598-025-86560-4 SN - 2045-2322 VL - 15 SP - 1 EP - 12 PB - Springer Nature CY - London AN - OPUS4-62935 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ruehle, Bastian T1 - Natural language processing for automated workflow and knowledge graph generation in self-driving labs N2 - Natural language processing with the help of large language models such as ChatGPT has become ubiquitous in many software applications and allows users to interact even with complex hardware or software in an intuitive way. The recent concepts of Self-Driving Labs and Material Acceleration Platforms stand to benefit greatly from making them more accessible to a broader scientific community through enhanced user-friendliness or even completely automated ways of generating experimental workflows that can be run on the complex hardware of the platform from user input or previously published procedures. Here, two new datasets with over 1.5 million experimental procedures and their (semi)automatic annotations as action graphs, i.e., structured output, were created and used for training two different transformer-based large language models. These models strike a balance between performance, generality, and fitness for purpose and can be hosted and run on standard consumer-grade hardware. Furthermore, the generation of node graphs from these action graphs as a user-friendly and intuitive way of visualizing and modifying synthesis workflows that can be run on the hardware of a Self-Driving Lab or Material Acceleration Platform is explored. Lastly, it is discussed how knowledge graphs – following an ontology imposed by the underlying node setup and software architecture – can be generated from the node graphs. All resources, including the datasets, the fully trained large language models, the node editor, and scripts for querying and visualizing the knowledge graphs are made publicly available. KW - Natural Language Processing KW - Large Language Models KW - Self-Driving Labs KW - Materials Acceleration Platforms KW - Workflows KW - Nanomaterials KW - Advanced Materials PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-631947 UR - https://github.com/BAMresearch/MAPz_at_BAM/tree/main/Minerva-Workflow-Generator DO - https://doi.org/10.1039/d5dd00063g SN - 2635-098X SP - 1 EP - 10 PB - Royal Society of Chemistry (RSC) AN - OPUS4-63194 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bos, Freek A1 - Menna, Constantino A1 - Robens-Radermacher, Annika A1 - Wolfs, Rob A1 - Roussel, Nicolas A1 - Lombois-Burger, Hélène A1 - Baz, Bilal A1 - Weger, Daniel A1 - Nematollahi, Behzad A1 - Santhanam, Manu A1 - Zhang, Yamei A1 - Bhattacherjee, Shantanu A1 - Jia, Zijian A1 - Chen, Yu A1 - Mechtcherine, Viktor T1 - Mechanical properties of 3D printed concrete: a RILEM TC 304-ADC interlaboratory study — approach and main results N2 - To show compliance to structural engineering codes and implement quality control measures, it is critical to obtain reliable mechanical properties of the materials in question. For conventional cast and precast concrete, the experimental procedures and relationships between mechanical properties, the material composition, and the production methods are globally known, but for 3D concrete printing (3DCP), these relations have not yet been established. Previous studies have shown little consistency in results, and the underlying experimental methods have not been established broadly. There is an urgent need to address these issues as the application of 3DCP in practice projects is growing rapidly. Therefore, RILEM TC 304-ADC: Assessment of Additively Manufactured Concrete Materials and Structures has set up a large interlaboratory study into the mechanical properties of 3D printed concrete. This paper presents key elements of the experimental approach detailed in the Study Plan and the supporting considerations. Furthermore, it reports on the response, consisting of 34 contributions from 30 laboratories, detailing global coverage, properties of the applied mixture designs and characteristics of the printing facilities that have been used. Subsequently, some fundamental results from compression, flexural, and E-modulus testing are presented and—considering cast specimens as a reference—discussed. On average, a reduction in strength was found in compression and E-modulus (all tested orientations). For flexure, on the other hand, an increase was found in two testing orientations, while a decrease was observed in the third orientation. Importantly, even though the applied experimental methods were found to be reasonably appropriate to obtain the required data, the differences found between individual contributions are significant and sometimes non-consistent, suggesting that testing on specific material-facility combinations is necessary to reliably determine the mechanical properties of objects produced from them. Furthermore, a theoretical framework needs to be developed to further explain the variations that were observed. Extensive analyses of all acquired data are out of the scope of this contribution, but presented in two associated papers, whereas a third presents the data management approach used to process the approximately 5,000 test results. KW - 3D printed concrete KW - 3DCP KW - Mechanical properties KW - Interlaboratory study PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634631 DO - https://doi.org/10.1617/s11527-025-02686-x VL - 58 IS - 5 SP - 1 EP - 29 PB - Springer Nature AN - OPUS4-63463 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Riebesell, Janosh A1 - Goodall, Rhys E. A. A1 - Benner, Philipp A1 - Chiang, Yuan A1 - Deng, Bowen A1 - Ceder, Gerbrand A1 - Asta, Mark A1 - Lee, Alpha A. A1 - Jain, Anubhav A1 - Persson, Kristin A. T1 - A framework to evaluate machine learning crystal stability predictions N2 - The rapid adoption of machine learning in various scientific domains calls for the development of best practices and community agreed-upon benchmarking tasks and metrics. We present Matbench Discovery as an example evaluation framework for machine learning energy models, here applied as pre-filters to first-principles computed data in a high-throughput search for stable inorganic crystals. We address the disconnect between (1) thermodynamic stability and formation energy and (2) retrospective and prospective benchmarking for materials discovery. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with adaptive user-defined weighting of various performance metrics allowing researchers to prioritize the metrics they value most. To answer the question of which machine learning methodology performs best at materials discovery, our initial release includes random forests, graph neural networks, one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials. We highlight a misalignment between commonly used regression metrics and more task-relevant classification metrics for materials discovery. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV per atom above the convex hull. The benchmark results demonstrate that universal interatomic potentials have advanced sufficiently to effectively and cheaply pre-screen thermodynamic stable hypothetical materials in future expansions of high-throughput materials databases. KW - Machine Learning KW - Interatomic Potentials PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637139 DO - https://doi.org/10.1038/s42256-025-01055-1 SN - 2522-5839 VL - 7 IS - 6 SP - 836 EP - 847 PB - Springer Science and Business Media LLC AN - OPUS4-63713 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Szymoniak, Paulina A1 - Juranyi, F. A1 - Kruteva, M. A1 - Zorn, R. A1 - Schönhals, Andreas T1 - Low-Frequency Vibrational Density of States of Nanophase- Separated Poly(n‑alkyl methacrylate)s: Confined Phonons and Relationship to Specific Heat N2 - This study investigates the low-frequency vibrational Density of states of nanophase-separated poly(n-alkyl methacrylate)s (PnMAs) and its relationship to specific heat. This system undergoes a nanophase separation for n > 1 in alkyl side chain-rich domains and a backbone-rich matrix. Using inelastic neutron scattering, the low-frequency vibrational density of states (Boson peak, BP) of PnMAs with varying alkyl side chain lengths (methyl, butyl, hexyl, and octyl) is measured. The results reveal that the BP shifts to higher frequencies with increasing side chain length reaching a maximum. This result indicates a counterbalance of confinement effects and the scattering of the matrix. The behavior of the Boson peak of the PnMAs is compared to other nanophase-separated systems, such as Janus-polynorbornenes and hexakis(n-alkyloxy)triphenylene discotic liquid crystals. The study also explores the connection between the BP and specific heat capacity, showing a linear relationship between the maximum frequency of the BP and the maximum temperature of the specific heat capacity anomaly. Moreover, from the measured vibrational density of states, the specific heat capacity is calculated and compared to experimental results. The comparison reveals qualitative agreement between the calculated and experimental data. These findings provide evidence for the sound wave interpretation of the Boson peak. KW - Inelastic Neutron Scattering PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-636928 DO - https://doi.org/10.1021/acs.macromol.5c00898 SN - 1520-5835 SP - 1 EP - 12 PB - ACS Publications AN - OPUS4-63692 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kamdem Tamo, Arnaud A1 - Doench, Ingo A1 - Deffo, Gullit A1 - Jiokeng, Sherman Lesly Zambou A1 - Doungmo, Giscard A1 - Fotsop, Cyrille Ghislain A1 - Temgoua, Ranil Clement Tonleu A1 - Montembault, Alexandra A1 - Serghe, Anatoli A1 - Njanja, Evangeline A1 - Tonle, Ignas Kenfack A1 - Osorio-Madrazo, Anayancy T1 - Lignocellulosic biomass and its main structural polymers as sustainable materials for (bio)sensing applications N2 - (Bio)sensors are integral to various aspects of daily life, contributing to safety, monitoring, and awareness. In modern sensor devices, polymers play an important role, with increasing interest in bio-based materials. Biopolymers, unlike their synthetic counterparts, are abundant in nature and exhibit interesting functional properties that make them highly suitable as biomaterials for sensor technologies. Enhancing sensor performance to achieve a rapid response to stimuli is a key objective in sensor development. Lignocellulosic biomass (LCB) from plants holds promise in meeting such requirements due to its high surface area, tunable surface characteristics (including diverse pore sizes and morphologies), flexibility, printability, low density, and favorable physicochemical and thermal properties. Growing research in recent decades has focused on lignocellulosic composite materials due to their functional and environmentally friendly attributes. This review focuses on the valorization of lignocellulosic biomass and its three main biopolymer constituents (cellulose, hemicellulose, and lignin) for the development of electrochemical (bio)sensors. It also explores the macromolecular structure, sources, and inherent properties of LCB, with emphasis on the three main biopolymers and their applications in sensor technologies. Recent advances in the use of LCB and its structural biopolymers as materials for (bio)sensing applications are described and reviewed. The challenges associated with using these biomaterials in electroanalytical applications are also discussed, along with the exploration of their future potential for developing high-performance sensing technologies. KW - Chemical safety KW - Material safety KW - Quality ensurance PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637230 DO - https://doi.org/10.1039/d5ta02900g SN - 2050-7496 SP - 1 EP - 69 PB - The Royal Society of Chemistry AN - OPUS4-63723 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - 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 -