TY - JOUR A1 - Ladu, Luana A1 - Matovic, Nikola A1 - Imbert, Enrica A1 - Encino-Munoz, Ana T1 - How to measure the robustness and effectiveness of certification schemes and labels in ensuring the sustainability of bio-based products N2 - The rapid proliferation of sustainability certification schemes and labels (CSLs) reflects the rising demand for sustainable products, although the robustness and effectiveness of these certification systems have been increasingly questioned. While CSLs aim to mitigate environmental and socio-economic risks and support responsible market practices, current monitoring systems of CSLs often lack coherence, transparency, and methodological robustness. This study addresses this gap by proposing a conceptual monitoring framework specifically tailored to the bioeconomy, addressing the complexity of global bio-based value chains. Developed through a systematic literature review, a comparative analysis of 26 academic studies and 19 monitoring tools, and stakeholder engagement via interviews and co-creation workshops, the framework introduces a multidimensional structure for evaluating CSLs across three core functions: (I) Building Trust and Transparency, (II) Protecting Sustainability Areas of Concern, and (III) Driving Continuous Improvement. A pilot benchmarking exercise using the Global Organic Textile Standard (GOTS) demonstrates the framework’s applicability and diagnostic value, revealing both strong alignment in some areas and performance gaps in others—particularly in the economic and circularity dimensions. The framework is designed as a dynamic and modular tool, suitable for use by policymakers, scheme owners, businesses, and consumers. It holds potential to harmonize evaluation practices, guide co-regulatory policy integration, and foster more transparent and credible sustainability certification systems in the bioeconomy meta-sector. KW - Monitoring System KW - Sustainability Certification Schemes KW - Labels KW - Standards KW - Bioeconomy PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640000 DO - https://doi.org/10.1016/j.jenvman.2025.126240 SN - 1095-8630 VL - 390 SP - 1 EP - 14 PB - Elsevier Ltd. AN - OPUS4-64000 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Agasty, Amit A1 - Costard, Rene A1 - Kadoke, Daniel A1 - Kind, Thomas A1 - Hicke, Konstantin A1 - Hüsken, Götz T1 - A comprehensive experimental assessment of reinforced concrete walls under blast: In situ monitoring of loading, dynamic response and damage with NDT methods and embedded sensors N2 - A safety or security related assessment of explosions, accidental and intentional scenarios alike, often necessitate performance of resource intensive replication tests. For an efficient assessment without performing full scale blast tests, e.g., supported by numerical simulations, detailed knowledge is necessary to predict the blast loading from a given charge configuration, the resulting dynamic response of the structure under investigation as well as the resulting damage. Validation of numerical simulation requires the spatially resolved acquisition of all these parameters in real time. In this paper we present a set of measurement techniques and discuss their suitability for monitoring reinforced concrete (RC) walls under blast loading. Different blast-loading scenarios were realized by varying the charge weight and the standoff distance. The dynamic loading of the wall was characterized with pressure sensors complemented by numerical simulations using the APOLLO Blastsimulator and ConWep. High speed digital image correlation (DIC) was implemented in combination with multiple acceleration sensors to observe the dynamic deflection of the walls during the loading and to determine the residual deformation after the loading had ceased. In addition, one test specimen was instrumented with fiber optic sensor cables. These fiber optic sensors were used for distributed acoustic sensing (DAS) delivering information on dynamics of compression and tension cycles from within the structure. Additionally, the local damage pattern emerging during the series of blasts was determined via distributed fiber optic strain sensing (DSS) to enable the characterization of visual and non-visual damage to the structure. The obtained information was compared to results by an ultrasound structure-scanner. KW - Blast testing KW - Reinforced concrete KW - NDT methods KW - Fiber optic sensing KW - DIC KW - Numerical simulations KW - APOLLO Blastsimulator PY - 2025 DO - https://doi.org/10.1177/20414196251353795 SN - 2041-4196 SP - 1 EP - 31 PB - Sage Publications AN - OPUS4-63832 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kossatz, Philipp A1 - Mezhov, Alexander A1 - Andresen, Elina A1 - Prinz, Carsten A1 - Schmidt, Wolfram A1 - Resch-Genger, Ute T1 - Assessing the Applicability of Lanthanide-Based Upconverting Nanoparticles for Optically Monitoring Cement Hydration and Tagging Building Materials N2 - Chemically stable, lanthanide-based photon upconversion micro- and nanoparticles (UCNPs) with their characteristic multicolor emission bands in the ultraviolet (UV), visible (vis), near-infrared (NIR), and short-wave infrared (SWIR) arepromising optical reporters and barcoding tags. To assess the applicability of UCNPs for the monitoring of early stage cement hydration processes and as authentication tags for cementitious materials, we screened the evolution of the luminescence of Selfmade core-only NaYF4:Yb,Er UCNPs and commercial μm-sized Y2O2S:Yb,Er particles during the first stages of cement hydration, which largely determines the future properties of the hardened material. Parameters explored from the UCNP side included particle size, morphology, surface chemistry or coating, luminescence properties, and concentration in different cement mixtures. From the cement side, the influence of the mineral composition of the cement matrix was representatively examined for ordinary Portland cement (OPC) and its constituents tricalcium aluminate (C3A), tricalcium silicate (C3S), and gypsum at different water to cement ratios. Based on reflection and luminescence measurements, enabling online monitoring, which were complemented by XRD and isothermal heat-flow calorimetric measurements to determine whether the incorporation of these particles could impair cement hydration processes, well suited lanthanide particle reporters could be identified as well as application conditions. In addition, thereby the reporter influence on cement hydration kinetics could be minimized while still preserving a high level of information content. The best performance for the luminescence probing of changes during early stage cement hydration processes was observed for 25 nm-sized oleate (OA)-coated UCNPs added in a concentration of 0.1 wt %. Higher UCNP amounts of 1.0 wt % delayed cement hydration processes size- and surface coatingspecifically in the first 24 h. Subsequent luminescence stability screening studies performed over a period of about one year support the applicability of UCNPs as optical authentication tags for construction materials. KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Synthesis KW - Quantum yield KW - NIR KW - Mechanism KW - Characterization KW - XRD KW - Calorimetry KW - Advanced material KW - Cement KW - Monitoring KW - Surface KW - Size KW - Lifetime KW - Barcode KW - Lanthanide KW - Upconversion KW - Encoding KW - Method PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-638318 DO - https://doi.org/10.1021/acsomega.5c02236 SN - 2470-1343 VL - 10 IS - 29 SP - 31587 EP - 31599 PB - ACS Publications CY - Washington, DC AN - OPUS4-63831 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wetzel, Annica A1 - Hans, Ann-Kathrin A1 - von der Au, Marcus A1 - Brand, Izabella A1 - Wittstock, Gunther A1 - Özcan Sandikcioglu, Özlem A1 - Witt, Julia T1 - Long-term corrosion studies of CrCoNi and CrMnFeCoNi in sulfuric acid N2 - This study investigates the long-term corrosion behavior of CrCoNi and CrMnFeCoNi MPEAs over 28 d in 1 M H2SO4. Corrosion progression and passive film evolution were analyzed using open circuit potential measurements, electrochemical impedance spectroscopy, X-ray photoelectron spectroscopy, and scanning electron microscopy. Unlike short-term polarization tests, where CrCoNi exhibited intergranular corrosion, long-term immersion resulted in a stable, Cr-rich passive oxide layer. In contrast, CrMnFeCoNi formed a porous mixed oxide layer, increasing its susceptibility to degradation and revealing a distinct corrosion mechanism. X-ray photoelectron spectroscopy tracking at weekly intervals showed that prolonged immersion led to the transformation of sulfide/sulfite species into a sulfate-containing surface film. This effect was only detectable in long-term corrosion studies. These findings provide new insights into the time-dependent degradation mechanisms of MPEAs and demonstrate that corrosion mechanisms differ significantly from short-term polarization tests. This highlights the need for long-term studies to properly assess material stability in practical applications. KW - Long-term corrosion KW - Multi-principal element alloys (MPEAs) KW - X-ray photoelectron spectroscopy (XPS) PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-636895 DO - https://doi.org/10.1038/s41529-025-00637-z SN - 2397-2106 VL - 9 IS - 1 SP - 1 EP - 13 PB - Springer Science and Business Media LLC AN - OPUS4-63689 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Horton, Matthew K. A1 - Huck, Patrick A1 - Yang, Ruo Xi A1 - Munro, Jason M. A1 - Dwaraknath, Shyam A1 - Ganose, Alex M. A1 - Kingsbury, Ryan S. A1 - Wen, Mingjian A1 - Shen, Jimmy X. A1 - Mathis, Tyler S. A1 - Kaplan, Aaron D. A1 - Berket, Karlo A1 - Riebesell, Janosh A1 - George, Janine A1 - Rosen, Andrew S. A1 - Spotte-Smith, Evan W. C. A1 - McDermott, Matthew J. A1 - Cohen, Orion A. A1 - Dunn, Alex A1 - Kuner, Matthew C. A1 - Rignanese, Gian-Marco A1 - Petretto, Guido A1 - Waroquiers, David A1 - Griffin, Sinead M. A1 - Neaton, Jeffrey B. A1 - Chrzan, Daryl C. A1 - Asta, Mark A1 - Hautier, Geoffroy A1 - Cholia, Shreyas A1 - Ceder, Gerbrand A1 - Ong, Shyue Ping A1 - Jain, Anubhav A1 - Persson, Kristin A. T1 - Accelerated data-driven materials science with the Materials Project N2 - The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational Methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our eforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community. KW - Databases KW - Materials Informatics KW - Materials Design KW - Automation KW - Workflows KW - Accelerated Discovery PY - 2025 DO - https://doi.org/10.1038/s41563-025-02272-0 SN - 1476-1122 SP - 1 EP - 11 PB - Springer Science and Business Media LLC AN - OPUS4-63616 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Peters, Simon A1 - Pittrich, Tim A1 - Stelzner, Ludwig A1 - Weise, Frank A1 - Meschke, Günther T1 - Concretes containing blended-cements with reduced carbon-dioxide emissions: A chemo-thermo-hygro-mechanical model for elevated temperatures N2 - A comprehensive analysis aimed at understanding and assessing the high-temperature behavior of concretes containing blended cements (CEM III/A, CEM II/B-Q, and CEM IV), characterized by low carbon-dioxide emissions (during clinker’s production) is necessary to reliably model the damage in the concrete, thermal spalling included. To this purpose, a numerical chemo-thermo-hygro-mechanical model is formulated, to investigate – among other phenomena – heat transmission and pore pressure for different aggregate types. Based on an available hydration model, a dehydration model is established to numerically investigate the evolution of dehydration and porosity at elevated temperatures. Based on the properties of concrete and cement constituents on multiple scales, an analytical homogenization process is proposed to predict the thermal conductivity of the concrete. This process is later validated and implemented into a macroscopic modeling framework. Chemo-thermo-hygro-mechanical analyses show that the dehydration characteristics of blended low carbon-dioxide release cements may increase pore pressure in the concrete by up to 13% compared to the concrete containing ordinary Portland cement. In addition, aggregates exhibiting high thermal conductivity may contribute to a further increase (even more than 35%) in pore pressure compared to aggregates with low thermal conductivity. Last but not least, the proposed model provides the basis for the reduction of the number of the parameters commonly required in the chemo-thermo-hygro-mechanical modeling of cementitious materials. KW - Concrete at high temperature KW - Dehydration KW - Multiscale modeling KW - Thermal conductivity KW - Chemo-hygro-thermal analysis KW - Micromechanics PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-635894 DO - https://doi.org/10.1016/j.cemconcomp.2025.106163 SN - 0958-9465 VL - 163 SP - 1 EP - 17 PB - Elsevier CY - Amsterdam AN - OPUS4-63589 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ikeda, Yuki A1 - Wallis, Theophilus A1 - Maaß, Robert A1 - Darvishi Kamachali, Reza T1 - Thermodynamics of grain boundary segregation transition and their relevance for liquid metal embrittlement in Fe-Zn system N2 - Grain boundaries (GBs) are common sites of failure in polycrystalline materials. Recently, a massive Zn segregation transition at Fe GBs was discovered and shown to act as a potent precursor of liquid metal embrittlement (LME) in the Fe-Zn system (Kamachali et al., Scripta Materialia 238 (2024) 115758). In this study, we elaborate on how temperature, GB type and the chemo-structurally coupled phase decomposition at the GB impact this segregation transition. CALPHAD and atomistic simulation data were utilized as inputs to conduct quantitative density-based thermodynamic modeling and phase-field simulations across various GBs, alloy compositions, and temperatures. We reveal that once the segregation transition becomes possible, the GB structural variation stabilizes spinodally formed Zn-rich phases within the GB region, with a higher tendency in disordered GBs. GB phase diagrams were constructed to identify and analyze the range of critical temperatures and alloy compositions associated with the segregation transition. The phase diagrams reveal that the miscibility gap for more disordered GB expands and, although the segregation transition is inevitable and occurs for all GBs, the barrier to triggering it is lower for more disordered GBs. Based on our thermodynamic analyses, potential processing modifications and GB engineering strategies for mitigating segregation-induced LME are thoroughly discussed. KW - Thermodynamics KW - Phase-Field Modelling KW - Steels PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634145 DO - https://doi.org/10.1016/j.actamat.2025.121134 SN - 1359-6454 VL - 296 SP - 1 EP - 11 PB - Elsevier BV AN - OPUS4-63414 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ciornii, Dmitri A1 - Hodoroaba, Vasile-Dan A1 - Wachtendorf, Volker A1 - Fengler, Petra A1 - Altmann, Korinna T1 - Interlaboratory Comparison Reveals State of the Art in Microplastic Detection and Quantification Methods N2 - In this study, we investigate the current accuracy of widely used microplastic (MP) detection methods through an interlaboratory comparison (ILC) involving ISO-approved techniques. The ILC was organized under the prestandardization platform of VAMAS (Versailles Project on Advanced Materials and Standards) and gathered a large number (84) of analytical laboratories across the globe. The aim of this ILC was (i) to test and to compare two thermo-analytical and three spectroscopical methods with respect to their suitability to identify and quantify microplastics in a water-soluble matrix and (ii) to test the suitability of the microplastic test materials to be used in ILCs. Two reference materials (RMs), polyethylene terephthalate (PET) and polyethylene (PE) as powders with rough size ranges between 10 and 200 μm, were used to press tablets for the ILC. The following parameters had to be assessed: polymer identity, mass fraction, particle number concentration, and particle size distribution. The reproducibility, SR, in thermo-analytical experiments ranged from 62%−117% (for PE) and 45.9%−62% (for PET). In spectroscopical experiments, the SR varied between 121% and 129% (for PE) and 64% and 70% (for PET). Tablet dissolution turned out to be a very challenging step and should be optimized. Based on the knowledge gained, development of guidance for improved tablet filtration is in progress. Further, in this study, we discuss the main sources of uncertainties that need to be considered and minimized for preparation of standardized protocols for future measurements with higher accuracy. KW - Microplastics KW - Interlaboratory comparison KW - PlasticsFatE KW - PET KW - PE KW - Reference materials KW - VAMAS KW - Thermo-analytical methods KW - Spectroscopical methods PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630462 DO - https://doi.org/10.1021/acs.analchem.4c05403 SN - 1520-6882 VL - 97 SP - 8719 EP - 8728 PB - ACS Publications AN - OPUS4-63046 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gupta, Kanhaiya A1 - Poka, Konstantin A1 - Ulbricht, Alexander A1 - Waske, Anja T1 - Identification and authentication of additively manufactured components using their microstructural fingerprint N2 - In the field of additive manufacturing, the ability to uniquely identify and authenticate parts is crucial for certification, logistics, and anti-counterfeiting efforts. This study introduces a novel methodology that leverages the intrinsic microstructural features of additively manufactured components for their identification, authentication, and traceability. Unlike traditional tagging methods, such as embedding QR codes on the surface or within the volume of parts, this approach requires no alteration to the printing process, as it utilizes naturally occurring microstructural characteristics. The proposed workflow involves the analysis of 3D micro-computed tomography data to identify specific voids that meet predefined identification criteria. This method is demonstrated on a batch of 24 parts manufactured with identical process parameters, proving capable of achieving unambiguous identification and authentication. By establishing a tamper-proof link between the physical part and its digital counterpart, this methodology effectively bridges the physical and digital realms. This not only enhances the traceability of additively manufactured parts but also provides a robust tool for integrating digital materials, parts databases, and product passports with their physical counterparts. KW - Authentication KW - Additive manufacturing KW - X-ray Computed Tomography KW - Digital fingerprint KW - Unique identification PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630356 DO - https://doi.org/10.1016/j.matdes.2025.113986 SN - 1873-4197 VL - 254 SP - 1 EP - 12 PB - Elsevier Ltd. CY - Amsterdam AN - OPUS4-63035 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lu, Xin A1 - Hicke, Konstantin T1 - Error suppression in wavelength scanning coherent optical time domain reflectometry by polarization diversity detection N2 - Wavelength scanning coherent optical time domain reflectometry (WS-COTDR) is a popular distributed fiber sensing technique that quantifies environmental changes based on the frequency shift of Rayleigh reflection spectra which are usually obtained by cross correlation. This method can cause large errors due to the spikes in the spectrum caused by the random interference of the Rayleigh backscattered light and the uncorrelated section in the reflection spectrum. Polarization diversity detection is applied to suppress this type of error. Two orthogonally polarized components of the Rayleigh backscattered light are detected in a single sensing system and processed separately by cross correlation. The correlation spectra of the two polarizations are averaged to determine the frequency shift, effectively mitigating the large error. Meanwhile, the polarization dependence helps avoid the large errors caused by Fresnel reflection and restrain null sensitivity positions, where the frequency shift is difficult to be determined due to the similarity of the spectra. The sensing performance improvement is experimentally validated, and the proposed system is tested in the field to monitor traffic along a busy street in Berlin, demonstrating its functionality and feasibility in practice. KW - Traffic monitoring KW - Coherent optical time domain reflectometry KW - Distributed fiber sensing KW - Polarization diversity detection KW - Optical fiber sensing PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630320 DO - https://doi.org/10.1016/j.measurement.2025.117733 SN - 1873-412X VL - 253 SP - 1 EP - 11 PB - Elsevier Ltd. AN - OPUS4-63032 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vega Puga, E. A1 - Wachtendorf, Volker A1 - Kömmling, Anja A1 - Brendelberger, S. A1 - Jaunich, Matthias A1 - Sattler, C. T1 - Lifetime prediction and degradation assessment of FKM and FFKM O-rings under high temperature thermo-oxidative ageing N2 - To support the development of solar reactor technologies for hydrogen production, this study investigates the thermo-oxidative degradation mechanisms of fluorinated elastomers and predicts their lifetimes at high temperatures (200–300 ◦C) consistent with the application requirements. An accelerated ageing programme is conducted with FKM and FFKM O-rings and flat samples for up to 21 days. Optical microscopy is used to analyse the exposed seals’ morphological changes, while IR microscopy is utilised to investigate the underlying chemical degradation mechanisms of both elastomers. Findings suggest that FKM’s degradation arises from dehydrofluorination of the polymer, followed by chain scission and backbone cleavage as a result of the oxidation of newly formed C=C double bonds. FFKM’s degradation is primarily associated with chain scission, but there is also indication that post-curing processes may occur during material ageing. Furthermore, hardness, equilibrium compression set (CS), continuous compression stress relaxation (CSR) and leakage rate tests are used to evaluate changes in the mechanical properties and sealing performance of the elastomers. Equilibrium CS data is extrapolated using time-temperature shifts (TTS) and used to derive an end-of-life criterion of 75 % equilibrium CS, which correlates to leakage rates higher than a predetermined threshold. Service lifetime predictions of FKM and FFKM O-rings at several temperatures are performed and a seal operating temperature of 200 ◦C is suggested, which ensures reasonable O-ring replacement intervals of more than half a year in the solar reactor for both considered materials. KW - Fluoroelastomer KW - Perfluoroelastomer KW - Thermo-oxidative ageing KW - Lifetime prediction KW - Compression set PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630112 DO - https://doi.org/10.1016/j.polymertesting.2025.108820 SN - 1873-2348 VL - 147 SP - 1 EP - 17 PB - Elsevier BV CY - Amsterdam AN - OPUS4-63011 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Richter, Matthias A1 - Schühle, Florian T1 - Experimental determination of 7-day uptake rates for diffusive sampling of 86 volatile and semi-volatile organic compounds relevant for indoor air monitoring and investigation on their sensitivity to exposure time and indoor climate N2 - This study aimed to experimentally determine uptake rates for 86 indoor relevant volatile and semi-volatile organic compounds (VOC, SVOC) for the passive sampler type Perkin Elmer/Markes™ with Tenax® TA as sorbent, which was used in the German Environmental Survey on Health (GerES VI) carried out by the German Environmental Agency (UBA) in the years 2023-2024. For this purpose, single reference gas atmospheres of 76 pure VOCs (liquid at room temperature) and a group of 10 SVOCs and VOCs (solid at room temperature) were generated using two generation procedures. By exposing the samplers to individual components, it was ruled out that interactions in a mixture have a influence on the uptake rate. Another aspect was to precisely describe the methodology and the resulting uncertainties, as there are gaps in the literature in this regard. The selection of the compounds was based on the findings of the preceding GerES V study for which data was missing or needed to be verified. In each experiment, a number of six passive samplers was exposed to the test gas atmospheres in dynamically operated exposure chambers for seven days. The sensitivity of the uptake rates of a group of 10 selected VOCs to variations in exposure time, ambient temperature, and air humidity in a multi-component reference gas atmosphere was investigated. Here, a decrease in the uptake rate with the exposure time could be observed stabilising from the fifth day of exposure onwards. A significant effect of temperature and humidity on the uptake rate was not apparent. The determined uptake rates exhibit uncertainties of < 20 % for 71 substances, and < 10 % for 51 substances which are also in good agreement with the literature, if already published elsewhere. The quantity of investigated substances, the detailed description of the methodology used to determine the uptake rates complemented by the respective uncertainties, as well as the compilation of comparative data, contribute to a better assessment of the quality and relevance of such data, which had not been published before. KW - Indoor air quality KW - Volatile organic compounds KW - Uptake rates KW - Passive sampling KW - Tenax TA PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-629913 DO - https://doi.org/10.1016/j.indenv.2025.100095 VL - 2 IS - 2 SP - 1 EP - 11 PB - Elsevier AN - OPUS4-62991 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bubel, Martin A1 - Schmid, Jochen A1 - Carmesin, Maximilian A1 - Kozachynskyi, Volodymyr A1 - Esche, Erik A1 - Bortz, Michael T1 - Cubature-based uncertainty estimation for nonlinear regression models N2 - Models are commonly utilized in chemical engineering to simulate real-world processes and phenomena. Given their role in guiding decision-making, accurately quantifying the uncertainty of these models is essential. Typically, these models are calibrated using experimental data that contain measurement errors, leading to uncertainty in the fitted model parameters. Current methods for estimating the prediction uncertainty of nonlinear regression models are often either computationally intensive or biased. In this study, we use sparse cubature formulas to estimate the prediction uncertainty of nonlinear regression models. Our findings indicate that this method provides a favorable balance between accuracy and computational efficiency, making it suitable for application in chemical engineering. We validate the performance of our proposed method through various regression case studies, including both theoretical toy models and practical models from chemical engineering. KW - Nonlinear models KW - Model uncertainty KW - Parameter estimation PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-628008 DO - https://doi.org/10.1016/j.compchemeng.2025.109035 SN - 1873-4375 VL - 197 SP - 1 EP - 23 PB - Elsevier Ltd. AN - OPUS4-62800 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zaki, Mohammad A1 - Prinz, Carsten A1 - Ruehle, Bastian T1 - A Self-Driving Lab for Nano- and Advanced Materials Synthesis N2 - The recent emergence of self-driving laboratories (SDL) and material acceleration platforms (MAPs) demonstrates the ability of these systems to change the way chemistry and material syntheses will be performed in the future. Especially in conjunction with nano- and advanced materials which are generally recognized for their great potential in solving current material science challenges, such systems can make disrupting contributions. Here, we describe in detail MINERVA, an SDL specifically built and designed for the synthesis, purification, and in line characterization of nano- and advanced materials. By fully automating these three process steps for seven different materials from five representative, completely different classes of nano- and advanced materials (metal, metal oxide, silica, metal organic framework, and core–shell particles) that follow different reaction mechanisms, we demonstrate the great versatility and flexibility of the platform. We further study the reproducibility and particle size distributions of these seven representative materials in depth and show the excellent performance of the platform when synthesizing these material classes. Lastly, we discuss the design considerations as well as the hardware and software components that went into building the platform and make all of the components publicly available. KW - Self-driving laboratories KW - Materials acceleration platforms KW - Nanomaterials KW - Advanced materials KW - Automation KW - Robotics KW - In-line characterization PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-627361 DO - https://doi.org/10.1021/acsnano.4c17504 SN - 1936-086X VL - 19 IS - 9 SP - 9029 EP - 9041 PB - ACS Publications CY - Washington, DC AN - OPUS4-62736 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gödde, Markus A1 - Clemens, Jörg A1 - Malow, Marcus T1 - Screening Procedures for Self-Reactive Substances, Differential Scanning Calorimetry-Onset and Heat-Flux Criteria N2 - We present a newscreening procedure for the determination of the thermal stability of potential candidates for the class of self-reactive substances. For the classification of self-reactive substances, elaborate testing is necessary to determine the applicable type, according to the regulations. Annex 6 of the UNManual of Tests and Criteria permits that the classification procedure for self-reactive substances may be omitted, if the estimated self accelerating decomposition temperature (SADT) is greater than 75 °C for a 50 kg package using an appropriate calorimetric technique, but no technique is described. Based on stationary theories of thermal explosion, we developed a screening approach using differential scanning calorimetry (DSC) onset and heat-flux criteria, respectively, at relevant temperatures. The proposed approach is validated with experimental data. KW - Self-reactive substances KW - Classification KW - Differential scanning calorimetry KW - Self accelerating decomposition temperature KW - Screening-procedures PY - 2025 DO - https://doi.org/10.1002/ceat.12006 SN - 1521-4125 SP - 1 EP - 9 PB - Wiley-VCH GmbH AN - OPUS4-62678 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Devi, Sarita A1 - Riedel, Soraya A1 - Döring, Sarah A1 - Hiller, Lukas A1 - Kaliyaraj Selva Kumar, Archana A1 - Flemig, Sabine A1 - Singh, Chandan A1 - Konthur, Zoltán A1 - Hodoroaba, Vasile-Dan A1 - Schneider, Rudolf T1 - Antibodies Functionalized Magnetic Fe-Metal-Organic Framework Based Biosensor for Electrochemical Detection of Tetanus Neurotoxin N2 - This work presents a metal-organic framework (MOF)-integrated microfluidic flow-cell (MFC) based immunodetection of the tetanus toxoid (TT) using electrochemical technique for the first time. The magnetic property of Fe-MOF helped to hold them on the working electrode at detection zone of MFC surpassing the requirement of additional conjugation chemistry, whereas the conductive property was utilized to observe the change in signal efficiency in the presence of TT. The one-pot hydrothermal synthesis of a magnetic and conductive iron-based MOF (Fe-MOF) was performed using the Fe3 +/Fe2+ precursors as 1.2/1 mmol and dual ligands, i.e., tetrahydroxy-1,4-benzoquinone and 2-aminobenzene-1,4-dicarboxylic acid. The Fe-MOF was conjugated with L-phenylalanine (Fe-MOF/Phe) to increase its electric conductivity owing to the enhanced electron flow rate. The human monoclonal antibody SA13 against TT (anti-TT mAb) was conjugated on the Fe-MOF/Phe surface with the help of ethylenediamine (Fe-MOF/Phe/EDA/anti-TT mAb). The binding affinity of Fe-MOF/Phe/EDA/anti-TT mAb for the TT antigen was evaluated using cyclic voltammetry technique. The limit of detection of the Fe-MOF/Phe/EDA/anti-TT mAb-based biosensor for TT was 9.4 ng/ml in spiked buffer. This study shows the applicability of these Fe-MOFs in the detection of various other microbial toxins or other biomolecules. KW - Antikörper KW - Elektrochemischer Immunoassay KW - Molecular Organic Framework (MOF) KW - Microfluidics KW - Rekombinant PY - 2025 DO - https://doi.org/10.1016/j.snb.2025.137381 SN - 0925-4005 VL - 431 SP - 1 EP - 12 PB - Elsevier B.V. CY - Amsterdam AN - OPUS4-62673 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Popiela, Bartosz A1 - Günzel, Stephan A1 - Schukar, Marcus A1 - Mair, Georg W. A1 - Krebber, Katerina A1 - Seidlitz, Holger T1 - Impact of internal pressure control during manufacturing on residual stresses and safety performance of type 4 pressure vessels N2 - Composite pressure vessels are commonly manufactured using the wet filament winding process, where various process parameters can influence the performance of the finished component. In this study two designs of wet filament wound 6.8-liter type 4 composite pressure vessels were manufactured. Both differ only by the internal pressure used during the filament winding, which primarily influences the residual stress state in the composite structure. An extensive experimental study was carried out, including 10 slow burst tests and strain measurements with fiber optic sensors. Significant differences can be observed in the performance of the two designs even though the used stacking sequence, materials and other manufacturing parameters are the same for both designs. A discussion of the differences in the behavior of both cylinder types is provided, including the strain distribution in slow burst tests and failure mechanism. KW - Residual stresses KW - Slow burst tests KW - Filament winding KW - Type 4 composite pressure vessels KW - Hydrogen PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626663 DO - https://doi.org/10.1016/j.jcomc.2025.100581 SN - 2666-6820 VL - 17 SP - 1 EP - 9 PB - Elsevier B.V. CY - Amsterdam, Netherlands AN - OPUS4-62666 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Farhan, Muhammad A1 - Schneider, Ronald A1 - Thöns, Sebastian A1 - Gündel, M. T1 - Probabilistic cost modeling as a basis for optimizing inspection and maintenance of turbine support structures in offshore wind farms N2 - The operational management of offshore wind farms includes inspection and maintenance (I&M) of the wind turbine support structures. These activities are complex and influenced by numerous uncertain factors that affect their costs. The uncertainty in the I&M costs should be considered in decision value analyses performed to optimize I&M strategies for the turbine support structures. In this paper, we formulate a probabilistic parametric model to describe I&M costs for the common case in which a wind farm is serviced and maintained using a workboat-based strategy. The model is developed based on (a) interviews with a wind farm operator, engineering consultants, and operation and maintenance engineers, as well as (b) scientific literature. Our methodology involves deriving the probabilistic models of the cost model parameters based on intervals representing a subjective expert opinion on the foreseeable ranges of the parameter values. The probabilistic cost model is applied to evaluate the total I&M costs, and a sensitivity analysis is conducted to identify the main cost drivers. The model can be utilized to optimize I&M strategies at the component, structural system, and wind farm level. To illustrate its potential use, we apply it in a numerical study in which we optimize I&M strategies at the structural system level and identify and demonstrate a simplified approach of capturing uncertain I&M costs in the optimization. The simplified approach is generalized and made available for maintenance cost optimization of offshore wind turbine structures. KW - Inspection KW - Maintenance KW - Turbine support structures KW - Offshore wind KW - Costs PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626144 DO - https://doi.org/10.5194/wes-10-461-2025 SN - 2366-7443 SN - 2366-7451 VL - 10 IS - 2 SP - 461 EP - 481 PB - Copernicus Publications CY - Göttingen AN - OPUS4-62614 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Meng, Xiangmeng A1 - Bachmann, Marcel A1 - Yang, Fan A1 - Rethmeier, Michael T1 - Toward prediction and insight of porosity formation in laser welding: A physics-informed deep learning framework N2 - The laser welding process is an important manufacturing technology for metallic materials. However, its application is often hindered by the occurrence of porosity defects. By far, an accurate prediction of the porosity defects and an insight into its formation mechanism are still challenging due to the highly nonlinear physics involved. In this paper, we propose a physics-informed deep learning (PIDL) framework by utilizing mechanistic modeling and experimental data to predict the porosity level during laser beam welding of aluminum alloys. With a proper selection of the physical variables (features) concerning the solidification, liquid metal flow, keyhole stability, and weld pool geometry, the PIDL model shows great superiority in predicting the porosity ratio, with a reduction of mean square error by 41 %, in comparison with the conventional DL model trained with welding parameters. Furthermore, the selected variables are fused into dimensionless features with explicit physical meanings to improve the interpretability and extendibility of the PIDL model. Based on a well-trained PIDL model, the hierarchical importance of the physical variables/procedures on the porosity formation is for the first time revealed with the help of the Shapley Additive Explanations analysis. The keyhole ratio is identified as the most influential factor in the porosity formation, followed by the downward flow-driven drag force, which offers a valuable guideline for process optimization and porosity minimization. KW - Laser beam welding KW - Physics-informed deep learning KW - Porosity prediction KW - Feature fusion KW - Hierarchical importance PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-624708 DO - https://doi.org/10.1016/j.actamat.2025.120740 VL - 286 SP - 1 EP - 13 PB - Elsevier B.V. AN - OPUS4-62470 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Konert, Florian A1 - Nietzke, Jonathan A1 - Grimault de Freitas, Tomás A1 - Rhode, Michael A1 - Sobol, Oded A1 - Böllinghaus, Thomas T1 - Investigation of resistance to gaseous hydrogen of a longitudinal weld seam in a X65 pipeline using the hollow specimen technique N2 - The constantly increasing demand for renewable energy sources leads to the necessity of transporting large amounts of hydrogen. Since pipelines enable a cost-effective way for the distribution of gaseous hydrogen, the interaction of hydrogen and the pipeline materials must be carefully investigated as hydrogen can cause a degradation of the mechanical properties under certain conditions. Especially welds, which are assumed to be more susceptible to the degradation enhanced by hydrogen, are of great interest. The aim of this study is to investigate the effect of gaseous hydrogen on the mechanical properties of an X65 pipeline, and the longitudinal submerged arc welding (SAW) welded joint. The tests are conducted using the hollow specimen technique on two types of specimens: one extracted from the base material (BM) and the other extracted as a cross-weld (CW) specimen consisting of BM and weld seam. The specimens are charged in situ under a pressure of 60 bar and tested using slow strain rate (SSR) tensile tests with a nominal strain rate of 10−5 s−1. The properties obtained of specimens tested in hydrogen atmosphere are compared to the properties of comparable specimen in inert argon atmosphere as a reference. The performed tests showed a decrease of the reduction of area (RA) from 72% in inert atmosphere to 52% in hydrogen atmosphere for the CW specimen and a decrease from 73% in inert atmosphere to 51% for the BM. Metallographic analyses showed the crack initiation between fine-grained heat-affected zone (FGHAZ) and BM for the specimens tested in hydrogen atmosphere as well as for the reference specimens. This leads to the conclusion that the location of the crack initiation does not change due to the presence of gaseous hydrogen. KW - Hydrogen KW - Hollow specimen technique KW - Pipeline KW - SSRT KW - Hydrogen embrittlement KW - Cross-weld specimen PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-624658 DO - https://doi.org/10.1007/s40194-025-01953-3 SN - 0043-2288 SN - 1878-6669 VL - 69 IS - 3 SP - 861 EP - 870 PB - Springer CY - Berlin AN - OPUS4-62465 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -