TY - JOUR A1 - Liao, Chun-Man ED - Zhang, Jian T1 - Modal and Wave Propagation Analysis of Vibration Tests on a Laboratory Building Model Before and After Damage N2 - Weakened structural stiffness is often a consequence of building damage, particularly after severe events such as earthquakes, where compromised structural performance can pose significant risks. To prevent immediate structural failure, an early warning system is essential, which requires inspection of local components. This research aims to achieve that by exploring the wave propagation analysis method, specifically seismic interferometry. Previous studies have applied this method to building structures, treating them as homogeneous layers of grouped floors. By analyzing the wave travel time along the height of these layers, the fundamental period of the building was estimated. However, this approach did not account for local damage or the variability of structural components, similar to the limitations of vibration‐based damage detection methods, which mainly identify global changes. Thus, the goal of this paper is to improve structural health monitoring by examining the sensitivity of wave screening, bridging the gap between nondestructive testing and vibration‐based damage detection. A half‐scale, seven‐story building model, characterized by vertical stiffness irregularity and transverse plan asymmetry, was tested in a laboratory setting. Two vertical sensor arrays were placed near corner columns of different sizes, representing both strong and weak structural areas. These arrays recorded floor accelerations in three directions. The study confirmed the effectiveness of wave propagation analysis for detecting damage along the sensor arrays before and after the earthquake. A transmissibility damage indicator was used to correlate changes in wave velocity, providing a quantitative assessment of damage levels along the wave propagation path. KW - Damage location KW - Laboratory test KW - Soft story KW - Stifness irregular structure KW - Structural health monitoring PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-624931 DO - https://doi.org/10.1155/stc/3453150 SN - 1545-2263 VL - 2025 IS - 1 SP - 1 EP - 17 PB - John Wiley & Sons Ltd. AN - OPUS4-62493 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nagel, Thomas A1 - Rühaak, Wolfram A1 - Amann, Florian A1 - Bracke, Guido A1 - Buske, Stefan A1 - Kowalski, Julia A1 - Reiche, Sönke A1 - Schäfer, Thorsten A1 - Scheytt, Traugott A1 - Stumpf, Thorsten A1 - Völzke, Holger A1 - Wellmann, Florian A1 - Kolditz, Olaf T1 - Deep geological disposal - Editorial to the topical collection N2 - The subsurface geological environment, historically a key source of fossil and mineral resources, has seen a significant broadening of its potential applications in recent years, with increasing emphasis on its use for energy production and storage. A critical factor in utilizing subsurface space is ensuring the sustainability of management practices, with particular attention to the potential environmental impacts that may result. The current Topical Collection on Deep Geological Disposal places greater emphasis on the geotechnical aspects of geological disposal, with a particular focus on the safe isolation of hazardous materials, including radioactive waste. The Topical Collection on Deep Geological Disposal covers both experimental (laboratory and in-situ) and theoretical studies of various geotechnical applications, such as geological disposal of radioactive or other materials, e.g. coal-based solid waste, carbon dioxide sequestration in fractured reservoirs, and brine solutions, but also aspects of uranium mining. The articles in the Topical Collections are arranged under the following headings: – Fundamental studies – Experimental studies – Numerical studies KW - Disposal KW - Radioactive Waste KW - Geology PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-624955 DO - https://doi.org/10.1007/s12665-024-12075-2 SN - 1866-6299 VL - 84 IS - 3 SP - 1 EP - 6 PB - Springer Nature AN - OPUS4-62495 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fürst, Richard A1 - Häßler, Dustin A1 - Stelzner, Ludwig A1 - Hothan, Sascha T1 - Fire resistance of existing steel structures with aged intumescent coating based on an in situ test method N2 - Intumescent coatings are commonly used in civil engineering to increase the fire resistance of steel structures. Exposed to fire, the intumescent coating reacts and forms a thermal protective char around the steel member. Thus, the heating of the steel is significantly slowed down and the fire resistance can be improved. Information regarding the scope of application and the durability of intumescent coatings are given in national approvals or European Technical Assessment documents. Due to the environmental conditions, intumescent coatings are subjected to ageing effects, which can reduce the durability and their thermal protection performance. To predict the durability for several years, during the approval procedure the behaviour of intumescent coatings is predominantly extrapolated based on accelerated artificial ageing. The established German and European assessment procedures to test and assess durability assume a working life of at least 10 years. Additional evidence may be required for longer periods. However, at present there is no method of verifying the thermal performance of existing structural members on site. For this reason, BAM is conducting the research project "INSIST" [1] to develop a minimally invasive in situ test method to determine the fire resistance of existing steel structures with applied intumescent coating. The investigation includes the development of a mobile prototype furnace. The paper describes the test setup, the developed prototype furnace, and the results of the performed test programme on uncoated and coated steel specimens. Based on this, recommendations for the test procedure are given. KW - In situ testing KW - Fire resistance KW - Intumescent coating KW - Steel KW - Thermal protection KW - Durability PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-629533 DO - https://doi.org/10.1016/j.firesaf.2025.104380 VL - 153 SP - 1 EP - 12 PB - Elsevier Ltd. AN - OPUS4-62953 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ferrier, Emmanuel A1 - Michel, Laurent A1 - Thiele, Marc A1 - Mercier, Julien T1 - Strain-rate effect on the bond strength of external bonded reinforced carbon fiber-reinforced polymer for concrete structure N2 - The aim of the presented study is to investigate the dynamic loading strength of an external bonded fiber-reinforced polymers (FRP) system under seismic loading. 16 bonded FRP samples under different loading speeds ranging as 0.0000167–0.8 m /s were examined to determine the characteristics of the FRP bond strength on the concrete. The mechanical tests involved measuring the concrete/FRP shear properties using a double-lap shear test. Sixteen concrete specimens were cast, strengthened and surface preparation, instrumented, and driven to failure in the LMC laboratory and the BAM laboratory (Germany). Dynamic loading increased the bonded strength mainly because of an increase in the concrete tensile strength. Experimental data are then analysed and competed with the equation given by the new European standard that develop the design of external bonded FRP. The characteristic properties and bonded strength obtained by design equation were compared. Based on the results design equation are modified. KW - EBR strengthening system KW - Desing bond strength KW - Durability PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625354 DO - https://doi.org/10.1016/j.conbuildmat.2025.140216 SN - 1879-0526 VL - 466 SP - 1 EP - 14 PB - Elsevier Ltd. AN - OPUS4-62535 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Strangfeld, Christoph A1 - Müller-Vahl, H. F. A1 - Nayeri, C. N. A1 - Paschereit, C. O. A1 - Greenblatt, D. T1 - Airfoil synchronous surging and pitching N2 - Combined surging and pitching of an airfoil at the identical frequency (i.e. synchronously), at four different phase differences, was investigated theoretically and experimentally. The most general unsteady theoretical formulation was adopted to calculate the lift coefficient, and then extended to explicitly compute the unsteady bound vortex sheet. This was used for comparison with experiments and facilitated the computation of both Joukowsky and impulsive-pressure lift contributions. Experiments were performed using a symmetric 18 % thick airfoil in an unsteady wind tunnel at an average Reynolds number of 3.0*10^5 , with a free-stream oscillation amplitude of 51 %, an angle-of-attack range of 2° +- 2° and a reduced frequency of 0.097. In general, excellent correspondence was observed between theory and experiment, representing the first direct experimental validation of the general theory. It was shown, both theoretically and experimentally, that the lift coefficient was not accurately represented by independent superposition of surging and pitching effects, due to variations in the instantaneous effective reduced frequency not accounted for during pure pitching. Deviations from theory, observed at angle-of-attack phase leads of 90° and 180°, were attributed to bursting of separation bubbles during the early stages of the acceleration phase. The largest deviations occurred when the impulsive-pressure lift contribution was small relative to the Joukowsky contribution, because the latter was most affected by bubble bursting. Bubble bursting resulted in large form-drag oscillations that occurred at identical phase angles within the oscillation cycle, irrespective of the phase difference between surging and pitching, as well as in the absence of pitching. KW - Unsteady aerodynamics KW - Dynamic stall KW - Separation bubble KW - Bubble bursting PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630068 DO - https://doi.org/10.1017/jfm.2025.220 SN - 1469-7645 VL - 1009 SP - 1 EP - 33 PB - Cambridge University Press (CUP) AN - OPUS4-63006 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rosenbusch, Sjard Mathis A1 - Diercks, Philipp A1 - Kindrachuk, Vitaliy A1 - Unger, Jörg F. T1 - Integrating custom constitutive models into FEniCSx: A versatile approach and case studies N2 - The development and integration of user-defined constitutive relationships into finite element (FE) tools using standardized interfaces play a pivotal role in advancing the capabilities of FE solvers for structural mechanics applications. While commercial FE solvers like Abaqus and Ansys have designed their interfaces to provide custom stresses, tangents, and updated history variables, the open-source solver FEniCSx remains efficient only when the constitutive update has an analytical representation. This restricts the application of FEniCSx for non-linear structural mechanics. Since FEniCSx has become a powerful and popular open-source tool for solving partial differential equations, particularly due to its automatic computation of Hessians, we aim to develop a generalized interface to enhance its capability for constitutive modeling. This approach will address complex constitutive equations that require iterative solutions at the quadrature point level. Specific implementation challenges, such as using return-mapping procedures, can then be managed commonly. The provided interface for custom constitutive models offers a versatile way to implement them in various languages, including C++, Python, Rust, and Fortran. Finally, with UMATs for viscoplastic models as an example, we demonstrate how existing user subroutines can be incorporated into the interface and utilized within the FEniCSx framework. KW - Finite element method KW - Constitutive models KW - FEniCSx KW - UMAT KW - Rust KW - Python KW - C++ PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630439 DO - https://doi.org/10.1016/j.advengsoft.2025.103922 SN - 0965-9978 VL - 206 SP - 1 EP - 11 PB - Elsevier CY - Amsterdam AN - OPUS4-63043 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schwettmann-Lui, Kim A1 - Nytus, Nina A1 - Weigel, Sandra A1 - Radenberg, Martin A1 - Stephan, Dietmar T1 - Effect of multiple-repeated aging and rejuvenation processes on bitumen properties evaluated with physical and chemical tests and multivariate analysis methods N2 - This paper presents laboratory experiments on repeated bitumen aging and rejuvenation processes to assess multiple reuse feasibility. Three 50/70 penetration-graded bitumen samples were reused with four different rejuvenators without adding virgin binder. The experiments continued until significant material changes, such as inhomogeneities and increased stickiness, prevented reliable characterization. After each rejuvenation and aging process, physical and chemical properties were analyzed, resulting in a comprehensive dataset. Results indicate that the reuse of pure rejuvenators, without incorporating virgin binder, is limited. Cyclic reuse depends heavily on the rejuvenator and its interaction with the binder. Of the four rejuvenators tested, two bio-based products enabled the maximum reuse of four cycles. Therefore, the rejuvenators used in this project are more suitable as additives to improve the physical properties of the bitumen for reuse rather than as substitutes for the binder. The datasets were further evaluated using multivariate analysis methods to construct statistical models for two use cases: In the first use case, the samples are classified by their aging condition. In the second use case, the samples are differentiated according to the rejuvenators. The models were successfully validated, providing a promising framework for the classification of unknown bitumen samples for reuse. KW - Bitumen KW - Aging KW - Rejuvenation KW - Multiple recycling KW - DSR measurements KW - Reuse KW - FTIR spectroscopy KW - Multivariate analysis methods PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-627563 DO - https://doi.org/10.1016/j.conbuildmat.2025.140734 SN - 1879-0526 VL - 472 SP - 1 EP - 16 PB - Elsevier Ltd. AN - OPUS4-62756 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Capitain, C. A1 - Schüßler, M. A1 - Bugsel, B. A1 - Zweigle, J. A1 - Vogel, Christian A1 - Leube, Peter A1 - Zwiener, C. T1 - Implementation of matrix-matched semiquantification of PFAS in AFFF-contaminated soil N2 - This study presents a novel semiquantification approach for nontarget screening (NTS), combining matrix-matched calibration and ionization class-specific average calibration curves (ACCs) to address the lack of analytical reference standards for most per- and polyfluoroalkyl substances (PFAS). Ionization class-specific ACCs for carboxylic and sulfonic acids, sulfonamides, and cationic PFAS result in high accuracy, with median absolute accuracy quotients below 2.27×. The approach was applied to soil impacted by aqueous film-forming foam (AFFF) contamination. A total of 96 tentatively identified PFAS were semiquantified in addition to 28 quantified compounds based on available standards. Semiquantified concentrations exceeded those of target analytes, demonstrating the critical role of this method in capturing broader PFAS contamination. In this case, validation against extractable organofluorine (EOF) showed a 102% closed mass balance. The innovative approach not only enables comprehensive PFAS contamination assessment in complex matrices but also expands the scope of the NTS for environmental monitoring, remediation, and risk assessment of AFFF-contaminated sites. KW - Per- and polyfluoroalkyl substances (PFAS) KW - Contaminated soil KW - Non-targeted analysis KW - Combustion ion chromatography PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-629445 DO - https://doi.org/10.1021/acs.est.4c14255 SN - 1520-5851 VL - 59 IS - 14 SP - 7338 EP - 7347 PB - American Chemical Society (ACS) CY - Columbus, Ohio AN - OPUS4-62944 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - McGonigle, Rebecca A1 - Glasgow, Jodie A1 - Houston, Catriona A1 - Cameron, Iain A1 - Homann, Christian A1 - Black, Dominic J. A1 - Pal, Robert A1 - MacKenzie, Lewis E. ED - MacKenzie, Lewis E. T1 - Autoclave reactor synthesis of upconversion nanoparticles, unreported variables, and safety considerations N2 - Autoclave reactors are widely used across chemical and biological sciences, including for the synthesis of upconversion nanoparticles (UCNPs) and other nanomaterials. Yet, the details of how autoclave reactors are used in such synthesis are rarely reported in the literature, leaving several key synthesis variables widely unreported and thereby hampering experimental reproducibility. In this perspective, we discuss the safety considerations of autoclave reactors and note that autoclaves should only be used if they are (a) purchased from reputable suppliers/manufacturers and (b) have been certified compliant with relevant safety standards. Ultimately, using unsuitable autoclave equipment can pose a severe physical hazard and may breach legal safety requirements. In addition, we highlight several parameters in autoclave synthesis that should be reported as standard to maximise the reproducibility of autoclave synthesis experiments across materials and chemistry research. We encourage users of autoclave synthesis vessels to: (1) adopt high-safety autoclaves and (2) report the many experimental variables involved to enhance experimental reproducibility. KW - Reference material KW - Nano KW - Particle KW - Shell KW - Fluorescence KW - Lifetime KW - Decay kinetics KW - Synthesis KW - Quality assurance KW - Method KW - Energy transfer KW - Upconversion KW - Autoclave synthesis KW - Data comparability PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625672 DO - https://doi.org/10.1038/s42004-025-01415-3 VL - 8 IS - 1 SP - 1 EP - 7 PB - Springer Science and Business Media LLC AN - OPUS4-62567 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Poka, Konstantin A1 - Ali, Sozol A1 - Saeed, Waleed A1 - Merz, Benjamin A1 - Epperlein, Martin A1 - Hilgenberg, Kai T1 - Quality assurance via a cyber physical system of a PBF-LB/M machine N2 - Powder Bed Fusion with Laser Beam of Metals (PBF-LB/M) faces challenges in reproducibility and quality assurance, even for widely applied alloys like AlSi10Mg. This work introduces a digital provenance framework for PBF-LB/M, showcased through the EOS M 300–4 multi-laser machine. An Extract, Transform, Load (ETL) pipeline autonomously captures machine data, including scan vectors as well as process signals, and organizes them into a Digital Shadow (DS). The DS is further extended by external data sources, such as Melt Pool Monitoring (MPM), to enable comprehensive analysis and root cause identification. This approach ensures continuous data representation and facilitates the development of new quality metrics. Moreover, the framework enhances quality assurance and traceability, supports compliance with industry standards, and improves productivity. It also enables more precise cost calculations and predictive maintenance. By addressing these challenges, the framework is essential for advancing PBF-LB/M in industrial applications, achieving greater consistency and scalability in production. KW - PBF-LB/M KW - Data driven quality assurance KW - Data engineering KW - Digital shadow PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625187 DO - https://doi.org/10.1007/s40964-025-00978-w SN - 2363-9520 VL - 10 IS - 3 SP - 1771 EP - 1783 PB - Springer Science and Business Media LLC AN - OPUS4-62518 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schackmann, Oliver A1 - Márquez Reyes, Octavio A. A1 - Memmolo, Vittorio A1 - Lozano, Daniel A1 - Prager, Jens A1 - Moll, Jochen A1 - Kraemer, Peter T1 - Machine learning strategies with ensemble voting for ultrasonic damage detection in composite structures under varying temperature or load conditions N2 - In recent years, the development of machine learning (ML) techniques has led to significant progress in the field of structural health monitoring with ultrasonic-guided waves. However, a number of challenges still need to be resolved for reliable operation in realistic settings. In this work, we consider the complex problem of experimental damage detection under varying temperature or load conditions where damage locations are not included in the training set. The ML techniques proposed here include supervised and unsupervised methods originally developed for image and time series classification combined with ensemble voting. A performance demonstration of the ML techniques is presented using benchmark datasets from the open-guided waves platform. The unsupervised approach is then applied to a new dataset from an experimental campaign carried out on a composite over-wrapped pressure vessel used for hydrogen storage with real defects. Results show that ensemble voting enables the effective combination of the predictions of multiple transducer pairs, even with a limited number of strong individual classifiers. When applied to unsupervised learning, this returns high accuracy also when real damage over the structure is considered. KW - Structural-Health-Monitoring KW - Ultrasonic guided waves PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-631571 DO - https://doi.org/10.1177/14759217251333066 SN - 1741-3168 SP - 1 EP - 19 PB - Sage Publications AN - OPUS4-63157 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hendricks, A. A1 - Phillips, T. K. A1 - Engl, T. A1 - Plarre, Rudy A1 - Martinson, V. G. T1 - The bacterial microbiome in spider beetles and deathwatch beetles N2 - The beetle family Ptinidae contains a number of economically important pests, such as the cigarette beetle Lasioderma serricorne, the drugstore beetle Stegobium paniceum, and the diverse spider beetles. Many of these species are stored product pests, which target a diverse range of food sources, from dried tobacco to books made with organic materials. Despite the threat that the 2,200 species of Ptinidae beetles pose, fewer than 50 have been surveyed for microbial symbionts, and only a handful have been screened using contemporary genomic methods. In this study, we screen 116 individual specimens that cover most subfamilies of Ptinidae, with outgroup beetles from closely related families Dermestidae, Endecatomidae, and Bostrichidae. We used 16S ribosomal RNA gene amplicon data to characterize the bacterial microbiomes of these specimens. The majority of these species had never been screened for microbes. We found that, unlike in their sister family, Bostrichidae, that has two mutualistic bacteria seen in most species, there are no consistent bacterial members of ptinid microbiomes. For specimens which had Wolbachia infections, we did additional screening using multilocus sequence typing and showed that our populations have different strains of Wolbachia than noted in previous publications. KW - Sodalis KW - Ptinidae KW - Anobiidae KW - Bostrichidae KW - Dermestidae KW - Bostrichoidea KW - Wolbachia PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-631564 DO - https://doi.org/10.1128/spectrum.01981-24 SN - 2165-0497 VL - 13 IS - 5 SP - 1 EP - 14 AN - OPUS4-63156 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Amano, Kofi Owusu Ansah A1 - Tschirschwitz, Rico A1 - Gimadieva, Elena A1 - Köhler, Florian A1 - Krause, Ulrich T1 - Thermal runaway and explosibility of the gas release from 18650 sodium-ion cells of NFM chemistry N2 - The present study investigates the thermal runaway behaviour and explosibility of the gas mixture released from sodium-ion batteries (SIBs). A total of 30 tests comprising two test series were performed using 18650 SIBs with a NaNi1/3Fe1/3Mn1/3O2 (NFM) chemistry. The cells of SOC level = 0 %, 25 %, 50 %, 75 % and 100 % were subjected to thermal abuse inside a 10 L pressurized reaction vessel. In test series 1, the tests were performed in an air atmosphere. In test series 2, an inert atmosphere was used. First, the total amount of gas released from the SIBs was calculated based on the temperature and pressure measured in the reaction vessel. Subsequently, a gas composition analysis was performed using a Fourier-transformed infrared (FTIR) spectrometer. This study revealed that the thermal runaway in SIBs could be categorized into four phases. At the onset of thermal runaway, the thermal runaway-induced explosion of the cells resulted in a rate of temperature rise ranging from 2 K/s to 70 K/s. The investigation further revealed a peak reaction temperature of 415 ◦C and a maximum pressure of 4 bar could be reached at thermal runaway in the 10 L vessel. The gas release of up to 5 ± 0.3 L (4 ± 0.2 L/Ah, 1.3 ± 0.1 L/Wh) from test series 1 and 2.4 ± 0.2 L (2 ± 0.1 L/Ah, 0.53 ± 0.04 L/Wh) from test series 2 showed a dependence on SOC and failure environment used. By applying Le Chatelier's mixing rule, the measured gas release from the air atmosphere showed a calculated lower explosion limit and upper explosion limit values of 4.8 % and 24 % in volume fraction, respectively. KW - Sodium-ion battery KW - Thermal runaway KW - Gas release KW - Gas explosion KW - Explosion limit PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-631782 DO - https://doi.org/10.1016/j.est.2025.116614 SN - 2352-152X VL - 122 SP - 1 EP - 16 PB - Elsevier Ltd. AN - OPUS4-63178 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Jafari, Abbas A1 - Vlachas, K. A1 - Chatzi, E. A1 - Unger, Jörg F. T1 - A Bayesian framework for constitutive model identification via use of full field measurements, with application to heterogeneous materials N2 - In this paper, we present a Bayesian framework for the identification of the parameters of nonlinear constitutive material laws using full-field displacement measurements. The concept of force-based Finite Element Model Updating (FEMU-F) is employed, which relies on the availability of measurable quantities such as displacements and external forces. The proposed approach particularly unfolds the advantage of FEMU-F, as opposed to the conventional FEMU, by directly incorporating information from full-field measured displacements into the model. This feature is well-suited for heterogeneous materials with softening, where the localization zone depends on the random microstructure. Besides, to account for uncertainties in the measured displacements, we treat displacements as additional unknown variables to be identified, alongside the constitutive parameters. A variational Bayesian scheme is then employed to identify these unknowns via approximate posteriors under the assumption of multivariate normal distributions. An optimization problem is then formulated and solved iteratively, aiming to minimize the discrepancy between true and approximate posteriors. The benefit of the proposed approach lies in the stochastic nature of the formulation, which allows to tackle uncertainties related to model parameters and measurement noise. We verify the efficacy of our proposed framework on two simulated examples using gradient damage model with a path-dependent nonlinear constitutive law. Based on a nonlocal equivalent strain norm, this constitutive model can simulate a localized damage zone representing softening and cracking. The first example illustrates an application of the FEMU-F approach to cracked structures including sensitivity studies related to measurement noise and parameters of the prior distributions. In this example, the variational Bayesian solver demonstrates a sizable advantage in terms of computational efficiency compared to a traditional least-square optimizer. The second example demonstrates a sub-domain analysis to tackle challenges associated with limited domain knowledge such as uncertain boundary conditions. KW - Constitutive model identification KW - Full-field measurements KW - Variational Bayes KW - Force-based finite element model updating KW - FEMU-F PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-615476 DO - https://doi.org/10.1016/j.cma.2024.117489 SN - 1879-2138 VL - 433 IS - Part A SP - 1 EP - 32 PB - Elsevier B.V. AN - OPUS4-61547 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pfennig, A. A1 - Simkin, Roman T1 - Identifying the initial corrosion fatigue failure based on dropping electrochemical potential N2 - The corrosion fatigue of duplex stainless-steel X2CrNiMoN22-5-3 can be determined by purely alternating axial cyclic load to failure using hour-glass shaped specimens. The experimental setup comprises a corrosion chamber allowing for the circulation of an aquifer electrolyte heated to 369 K simulating a carbon capture and storage as well as geothermal power plant environment. During engineering of a carbon storage site or geothermal power plant, it may be crucial to determine the failure onset of a component beforehand. Therefore, an algorithm with 93.3% reliability was established based on splitting the measured potential values into ten time series with a capacity of ten values. The failure of corrosion fatigue specimens in a geothermal environment correlates to the drop of the curves of the electrochemical potential which is measured simultaneously within the corrosion chamber. Crack initiation was, therefore, successfully derived from the electrochemical potential. KW - Corrosion fatigue KW - Surface corrosion KW - CO2 KW - Crack initiation KW - Geothermal energy production PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-629310 DO - https://doi.org/10.3390/app15010403 SN - 2076-3417 VL - 15 IS - 1 SP - 1 EP - 15 PB - MDPI CY - Basel AN - OPUS4-62931 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kumar, Sumit A1 - Swaminathan, Srinivasan A1 - Hesse, Rene A1 - Goldbeck, Hennig A1 - Ding, Wenjin A1 - Bonk, Alexander A1 - Bauer, Thomas T1 - Understanding the effect of oxide ions on Solar Salt chemistry and corrosion mechanism of 316L stainless steel at 600 °C N2 - Solar Salt (60 wt% NaNO3, 40 wt% KNO3), used in Concentrated Solar Power (CSP) Thermal Energy Storage (TES) technology, can decompose into various products at elevated temperatures, with oxide ions being one of the known corrosive byproducts. The study mimics Solar Salt aging by intentionally adding sodium peroxide (Na2O2) and sodium oxide (Na2O) at concentrations of 0.005–0.33 wt% to investigate their role in the corrosion of austenitic stainless steel at 600 °C in typical operating conditions. Salt chemistry (nitrite, nitrate, oxide ions, and metal cations) was analyzed every 24 h, and steel corrosion after 168 h was assessed by weight change, corrosion rate, phase analysis, and cross-sectional morphology. Results reveal that at or above 0.135 wt% added Na2O2/Na2O leads to a quasi-steady-state equilibrium of oxide ions in the salt. Interestingly, at these concentrations, the presence of steel further decreases oxide ion concentration. Furthermore, above 0.135 wt%, the corrosion rate increases significantly, along with increased spallation, porosity and disintegration of the corrosion layer, forming a non-protective layer. This study highlights the critical role of oxide ions in the corrosion process. KW - Solar Salt KW - High temperature corrosion KW - Thermal Energy Storage KW - Alkali oxides KW - Austenitic stainless steel PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-628463 DO - https://doi.org/10.1016/j.corsci.2025.112849 SN - 1879-0496 VL - 249 SP - 1 EP - 17 PB - Elsevier Ltd. AN - OPUS4-62846 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - John, Elisabeth A1 - Jakob, Cordula A1 - Pott, Ursula A1 - Sando, Mona T1 - Repeatability and reproducibility challenges of isothermal heat flow calorimetry with in situ mixing N2 - Isothermal heat flow calorimetry evaluates heat development during binder reactions. It distinguishes between in situ calorimetry, where mixing occurs within the device, and ex situ calorimetry, involving externally mixed samples. Despite ex situ calorimetry being a standard method in binder research, in situ calorimetry is underutilized. This paper aims to promote its adoption by summarizing challenges related to repeatability and reproducibility and offering solutions. The initial section addresses repeatability issues caused by preventable errors, providing a structured guide for experimental design. It was found that water leakage had minimal impact, and sample size is crucial for data robustness. The second section examines operational challenges, revealing that frictional heating, affecting recorded heat, can be minimized with an optimized mixing protocol. The final part highlights that significant errors in measured data stem from signal delay and heat loss, offering methods to correct these issues for improved reproducibility in in situ calorimetric experiments. KW - In situ calorimetry PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-628431 DO - https://doi.org/10.1016/j.cemconres.2025.107872 SN - 1873-3948 VL - 194 SP - 1 EP - 11 PB - Elsevier Ltd. AN - OPUS4-62843 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Baeßler, Matthias A1 - Simon, Patrick T1 - Ballasted track on vibrating bridge decks: physical mechanisms, empirical findings, and a proposal for assessment N2 - This paper summarizes the key findings and physical mechanisms and provides information on open questions and the assessment of railway bridge superstructure vibrations. Bridges are classic disruption points on a railway track. If bridge superstructures are dynamically excited by train traffic, the vertical accelerations of the track must be considered. For a ballasted track, this can lead to the destabilization of the ballast track, as the bridge superstructure acts like a vibrating table. In this respect, the paper explains in more detail what is meant by destabilization, when this destabilization occurs and how various influencing parameters such as acceleration amplitude, the vibration sequence and frequency affect its occurrence. In the InBridge4EU project, gaps in knowledge such as the effect of single impulse loads are being investigated experimentally. A new test facility has been set up for this purpose, the initial results of which are presented here. An essential element in the assessment of this scenario is the stability of the track under high compression forces with simultaneous dynamic excitation of the superstructure. A new approach for the assessment of bridge vibrations with respect to lateral stability is presented. KW - Railway bridge dynamics KW - Bridge deck acceleration KW - Ballast destabilization KW - Lateral track stability KW - Track buckling PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630972 DO - https://doi.org/10.1142/S0219455425400243 SN - 0219-4554 SN - 1793-6764 IS - 2540024 SP - 1 EP - 27 PB - World Scientific CY - Singapore AN - OPUS4-63097 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Willms, Thomas A1 - Kryk, Holger A1 - Hampel, Uwe T1 - An improved method for the analysis of the reaction products of the partial isobutane oxidation by gas chromatography using a green solvent N2 - In the present work, an improved GC/MS method for the analysis of the reaction products of the non-catalytic partial oxidation of isobutane at a starting temperature of 25°C has been developed and compared to a previously published method. Two green GC-solvents (dimethyl carbonate (DMC), diethyl carbonate (DEC)) and several internal standards (hexane, benzene, toluene, DEC) have been tested. The separation of the products at low retention times (methanol, isobutane, isobutene) could be significantly improved. For the liquid main products t-butyl hydroperoxide (TBHP), di-t-butyl peroxide (DTBP), t-butanol (TBA), propanone and most trace products (isopropanol, isobutanal, methyl formate, isopropyl formate, t-butyl formate and some acetates – 24 compounds in total), a coefficient of determination CoD > 0.999 has been achieved. For all weighing and GC/MS measurements uncertainties have been calculated. The peaks of the peak pair t-butyl formate (CoD >0.999) and isobutanol (CoD >0.99), have been simulated and used for calibrations. DEC gave a decomposition of TBHP on the column. With DMC, a problem of peak purity of TBHP appeared but could be resolved. The use of the green solvent DMC, compared to also studied traditional solvents like heptane and toluene, proved to be very beneficial, since it also permitted to determine polar compounds, e. g. carbon dioxide and formic acid. KW - GC/MS KW - Green solvent KW - Method development KW - Peroxide KW - Measurement uncertainties KW - Oxidation products KW - Simulation PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-632026 DO - https://doi.org/10.1016/j.chroma.2025.465892 SN - 0021-9673 VL - 1753 SP - 1 EP - 16 PB - Elsevier CY - Amsterdam AN - OPUS4-63202 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Xu, Q. A1 - Szymoniak, Paulina A1 - Kolmangadi, Mohamed A. A1 - Yang, Z. A1 - Wang, S. A1 - Gao, Y. A1 - Shang, J. A1 - Hunger, J. A1 - Aldiyarov, A. A1 - Schönhals, Andreas A1 - Ge, Y. A1 - Qi, Z. T1 - Molecular engineering of supramolecular polymer adhesive with confined water and a single crown ether N2 - Here, we report a water-induced supramolecular polymer built from confined structural water and an intrinsic amphiphilic macrocyclic self-assembly in a nanophase separated structure. The newly designed crown ether macrocycle, featuring strong hydrophilic hydrogen bonding receptor selenoxide and a synergistical hydrophobic selenium-substituted crown core, confines the structural water in a segregated, interdigitated architecture. Although water molecules typically freeze around 0 °C, the confined structural water in this supramolecular polymer remains in a liquid-like state down to 80 °C. Previous studies suggest that multiple crown ether units are needed to generate structural water. However, here, one unit is sufficient to control the formation and disappearance of structural water and consequent supramolecular polymerization. Typically, the DC conductivity of water shows Arrhenius temperature dependency (lnσDC ∝ 1/T). In contrast, this new crown unit maintains water in confined states, which exhibit a Vogel/Fulcher/Tammann behavior (lnσDC ∝ 1/(T-T0)) at temperatures above the glass transition temperature. Moreover, this water-induced supramolecular polymer exhibits remarkable adhesion properties to hydrophilic surfaces and maintains tough adhesion at low temperatures. These findings show how a single small macrocycle can govern the complex structure and functionality of water in supramolecular systems. KW - Supramolecular polymerization PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-623631 DO - https://doi.org/10.1039/D4SC06771A SN - 2041-6539 VL - 16 SP - 1 EP - 9 PB - RSC AN - OPUS4-62363 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nandish, Ranjith A1 - Knaust, Christian A1 - Zehfuß, Jochen T1 - Numerical Investigations of a Large Fire Exposure Crib Test—Presenting Different Pyrolysis Modelling Methodologies and Numerical Results N2 - ABSTRACTThe need for numerical‐based approaches to investigate the fire behaviour in buildings with combustible components is growing due to the increasing use of timber by the construction industry to meet the ‘Climate Action Plan 2050’. This requires consideration of the complex kinetic processes that take place during the burning of the wood in the numerical models. This is accomplished by using computational fluid dynamics (CFD) to numerically model the material pyrolysis and combustion processes. This article presents three different approaches for simulating the behaviour of a wood crib fire using the fire dynamics simulator (FDS). These approaches are based on either prescribing the burning rate of the wood directly from the physical experiments or using the kinetic parameters to govern the underlying processes, such as pyrolysis. Wooden crib fire experiments carried out by the RISE Research Institute in Sweden inside the combustion chamber that were used to validate all the methods. The numerical results from the method, that utilised the experimentally determined burning rate, were in good agreement with the experimental results, with a maximum deviation of 6% in the case of HRR. On the other hand, the model that needs kinetic parameters as its input has shown maximum discrepancies of 12% and 33% compared to experimental results. These methods are sensitive to the input parameters and the extent of dependency needs further investigation. KW - Pyrolysis KW - Wood combustion KW - Wood fire loads KW - Wooden buildings PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626567 DO - https://doi.org/10.1002/fam.3287 SN - 1099-1018 VL - 49 IS - 4 SP - 371 EP - 387 PB - John Wiley & Sons Ltd. AN - OPUS4-62656 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zhu, Jiangchao A1 - Madia, Mauro A1 - Schurig, Michael A1 - Kruse, Julius A1 - Conrad, Fabian A1 - Schlums, Hartmut A1 - Kontermann, Christian A1 - Zerbst, Uwe T1 - On the use of representative specimens for the structural integrity assessment of safety-relevant rotating components N2 - Safety-relevant components, for which a failure in service could have catastrophic consequences, are usually designed for extremely low probability of failure and they are subjected to stringent part qualification procedures according to guidelines set by regulatory agencies. Manufacturers are often forced to perform tests on full scale or scaled components to ensure the structural integrity under defined loading conditions, which usually implies a huge experimental and financial effort. Therefore, companies try to develop new strategies such as digital twins, which allow to massively reduce costs, without compromising safety. This work presents a new quasi-static testing and assessment concept, the main idea of which is to replace, or at least reduce, the experimental testing on components by testing specimens representative of the component. Fracture mechanics specimens have been designed iteratively by numerical simulations to match the stress state at the crack-tip of the maximum permissible defect defined by regulatory agencies for the component. Potentially, the major benefit of the proposed approach is that the tests can be performed on conventional laboratory testing machines. The effectiveness of the methodology is demonstrated in case of the structural integrity assessment of a Ni-base superalloy aero-engine turbine disk at overspeed conditions. KW - Structural integrity KW - Turbine disk KW - Burst KW - Fracture mechanics KW - Representative specimens KW - Quasi-static testing PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-624208 DO - https://doi.org/10.1016/j.engfracmech.2024.110710 SN - 0013-7944 VL - 314 SP - 1 EP - 23 PB - Elsevier Ltd. AN - OPUS4-62420 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - 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 - Wiehle, Philipp A1 - Baier, Johanna A1 - Thiele, Marc T1 - Structural Design of Earth Masonry in Accordance with Eurocode 6 – Considering Moisture Content and E/fk Ratio N2 - The load‐bearing behaviour of earth masonry is similar to conventional masonry, with two key differences: compressive strength and Young's modulus are dependent on moisture content, and the ratio between Young's modulus and characteristic compressive strength (E/fk) is significantly lower. The current design concept according to the Lehmbau Regeln does not explicitly address these factors, relying instead on a general safety margin, leading to an underestimation of the load‐bearing capacity of modern earth masonry.Compression tests on small‐scale masonry specimens and storey‐high walls revealed that compressive strength and Young's modulus decrease inversely proportional to the increase in relative humidity. Additionally, it was found that conventional masonry design guidelines overestimate the buckling resistance of earth masonry due to its low E/fk ratio of ∼440. However, this ratio remains independent of moisture content, simplifying structural design, as the load‐bearing capacity is only influenced by wall slenderness.The study's findings form the foundation for the newly published German design standard DIN 18940, which explicitly considers moisture content through service classes with moisture factors and addresses the low E/fk ratio with a bilinear adaptation of the reduction factor considering the slenderness. Along with the introduction of the semi‐probabilistic design concept and rigid‐plastic determination of cross‐sectional load‐bearing capacity, modern earth masonry can now be applied in buildings up to four storeys. T2 - Earth Builder Summit CY - Biberach, Germany DA - 06.03.2025 KW - Service class KW - Earth masonry KW - Structural design KW - Moisture PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637803 DO - https://doi.org/10.1002/cepa.3287 SN - 2509-7075 VL - 8 IS - 1 SP - 9 EP - 21 PB - Ernst & Sohn GmbH AN - OPUS4-63780 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 - Liepold, Philipp A1 - Kromm, Arne A1 - Kannengießer, Thomas T1 - A Force Based Determination of Hot Cracking Susceptibility N2 - Two high-strength, low-alloy Gas Metal Arc Welding (GMAW) wires were evaluated for their susceptibility to Solidification Cracking (SC) using a modified version of the Transverse Motion Weldability (TMW) test. In theoriginal TMW test, the Transverse Displacement Speed (TDS) is varied iteratively, and crack lengths are measured in each iteration. The modified version eliminates the need for multiple runs by continuously reducing the TDS over a single run. Rather than emphasizing crack lengths, this method assesses the reaction force to the TDS, thereby determining a Critical TDS (CTDS). This critical point directly correlates with the cessation of SC growth. CTDS values were measured under a range of welding parameters, thereby demonstrating the influence of Welding speed and arc energy (U × I/welding speed) on SC susceptibility for the tested filler metals. The CTDS data obtained from this testing method have the potential to provide valuable insights for practical applications in the field. KW - Force based KW - Neural Network KW - TRS PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640140 DO - https://doi.org/10.5781/JWJ.2025.43.4.10 SN - 2466-2100 VL - 43 IS - 4 SP - 447 EP - 457 AN - OPUS4-64014 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 -