TY - JOUR A1 - Menga, D. A1 - Low, Jian Liang A1 - de Oliveira Guilherme Buzanich, Ana A1 - Paulus, B. A1 - Fellinger, Tim-Patrick T1 - The Tetrapyrollic Motif in Nitrogen Doped Carbons and M-N-C Electrocatalysts as Active Site in the Outer-Sphere Mechanism of the Alkaline Oxygen Reduction Reaction N2 - Development and fundamental understanding of precious-group-metal-free electrocatalysts is hampered by limitations in the quantification of the intrinsic activity of different catalytic sites and understanding the different reaction mechanisms. Comparing isomorphic nitrogen-doped carbons, Zn-N-Cs and Fe-N-Cs with the common tetrapyrrolic motif, a catalyst-independent outer-sphere rate-determining step in the alkaline oxygen reduction reaction is observed. Density functional theory (DFT) simulations on tetrapyrrolic model structures indicate the highest occupied molecular orbital (HOMO) level as a good descriptor for the catalytic activity. Contour plots suggest that the electron transfer occurs directly from the tetrapyrrolic coordination site, rather than from the metal center. Metal-free tetrapyrrolic N4 sites are discovered to be highly active oxygen reduction reaction (ORR) active sites in alkaline that reach turnover frequencies (TOF) of 0.33 and 1.84 s−1 at 0.80 and 0.75 VRHE in the order of magnitude of tetrapyrrolic Fe–N4 sites in the acidic ORR. While Zn-coordination lowers the HOMO level and therefore the catalytic activity, Fe-coordination lifts the HOMO level resulting in TOF values of 0.4 and 4 s−1 for tetrapyrrolic Fe–N4 sites at 0.90 and 0.85 VRHE, respectively. At higher mass activities, the peroxide reduction becomes rate-limiting, where highest peroxide production rates are observed for the nitrogen-doped carbon. KW - Tetrapyrollic KW - Motif KW - Nitrogen KW - Carbons KW - Alkaline Oxygen PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-606239 DO - https://doi.org/https://doi.org/10.1002/aenm.202400482 SN - 1614-6832 VL - 2024 SP - 1 EP - 8 PB - Wiley-VCH AN - OPUS4-60623 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hajhariri, Aliasghar A1 - Eberwein, Robert A1 - Camplese, Davide A1 - Scarponi, Giordano Emrys A1 - Cozzani, Valerio A1 - Otremba, Frank A1 - Seidlitz, Holger T1 - Non-combustible MLI based insulation behavior under fire condition - Experimental and numerical investigation N2 - The number of applications that demand zero-emission energy carriers, such as liquified hydrogen (LH2), is increasing worldwide. LH2 is typically transported or stored under cryogenic conditions. Storage in such conditions requires super thermal insulations which maintain very low boil-off for a prolonged time. Multi-Layer insulation (MLI) finds widespread use in cryogenic applications, designed to effectively restrict heat inleak towards cryogenic fluids. However, recent studies evidenced that exposure to high heat fluxes, such as in the event of a fire accident, can cause the thermal degradation of the insulation material, resulting in the severe collapse of its heat resistance performance. Therefore, the risk of rapid tank pressurization and its connection to the risk of BLEVE may be possible. This study proposes a numerical model to assess the performances of aluminum-based MLI materials under fire conditions. The model offers insights into the total heat transfer rate through the insulation, serving as a KW - Multi-Layer Insulation KW - Cryogenic KW - Liquid Hydrogen KW - CFD PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-617780 DO - https://doi.org/10.1016/j.psep.2024.11.037 VL - 193 SP - 603 EP - 620 PB - Elsevier B.V. AN - OPUS4-61778 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Camplese, Davide A1 - Scarponi, Giordano Emrys A1 - Eberwein, Robert A1 - Hajhariri, Aliasghar A1 - Otremba, Frank A1 - Cozzani, Valerio T1 - Comparative performance assessment of multilayer insulation (MLI) systems for liquid hydrogen vessels in fire scenarios N2 - Multilayer Insulation (MLI) systems are a mature technology for cryogenic liquid hydrogen (LH2) tank thermal insulation. Recent tests evidenced that MLI materials may be damaged when exposed to fire, resulting in critical safety issues in the case of accidents. Thus, an innovative approach to the performance assessment of aluminum and polyester-based MLIs for LH2 tanks in fire scenarios was developed. A specific model integrating the hightemperature degradation of MLIs and the thermodynamic modeling of the tank lading was coupled to specific key performance indicators. Results of the analysis applied to a vehicle-scale tank equipped with 80 MLI layers indicate that MLI degradation and consequent tank failure may occur in less than 20 min for external shell temperatures above 1160 K in the presence of full engulfment, regardless of insulation used. Conversely, degradation does not occur earlier than 3600s below 603 and 928 K for polyester and aluminum-based MLI, respectively. KW - LH2 KW - LNG KW - Cryogenic storage tank KW - Fire KW - Insulation PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630841 DO - https://doi.org/10.1016/j.ijhydene.2025.04.534 SN - 0360-3199 VL - 135 SP - 537 EP - 552 PB - Elsevier Ltd. AN - OPUS4-63084 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Denora, Isabella A1 - Clute, Clara A1 - Murillo, Natalia Cano A1 - Theiler, Geraldine A1 - Balasooriya, Winoj A1 - Kaiser, Andreas A1 - Fasching, Michael A1 - Schwarz, Thomas A1 - Marano, Claudia T1 - A study on the mechanical behaviour of carbon black and Struktosil-filled NBR compounds for hydrogen applications N2 - This study investigates the effect of the addition of a 2D filler (Struktosil) to a carbon black-filled acrylonitrile butadiene rubber, developed for seals in hydrogen applications. Several characterization methods have been adopted. The addition of Struktosil increases the stiffness of the material up to a strain of about 100%, to a lesser extent in presence of a plasticizer. The dissipative response of the material is increased by Struktosil addition and decreased in presence of the plasticizer. Concerning fracture behaviour, the crack initiation and Rapid Gas Decompression (RGD) resistance were not affected by the addition of Struktosil but decreased in presence of plasticizer. Furthermore, the addition of Struktosil had a positive effect on crack propagation resistance. The effects of pressurized hydrogen exposure on physical-mechanical properties were also evaluated and correlated with the results. A correlation between fracture toughness and RGD resistance has been also attempted. KW - Acrylonitrile Butadiene rubber KW - Fracture mechanics KW - 2D filler KW - High-pressure hydrogen KW - Rapid gas decompression PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-648285 DO - https://doi.org/10.1016/j.ijhydene.2025.03.122 SN - 0360-3199 VL - 118 SP - 407 EP - 416 PB - Elsevier Ltd. AN - OPUS4-64828 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Sarif, Raduan A1 - Tiebe, Carlo A1 - Herglotz, Christian T1 - Early Response Prediction for H2 Sensors N2 - Green hydrogen (H2) is essential for the global transition to clean energy; it will significantly reduce emissions from heavy industry and the long-distance transport system. H2 can be used as fuel in fuel cells, storing surplus renewable energy, and as a feedstock in industrial processes. However, H2 faces significant safety challenges during storage and transportation. Accidents due to H2 leakage and explosions raise serious concerns due to its high flammability, rapid diffusion in air, and extremely low ignition energy. To mitigate risks associated with H2 leakages, reliable and automated H2 safety systems are essential for emergency repairs or shutdown. An early response from H2 sensors is crucial for early warning in accidents. The earlier response time of H2 sensors is often constrained by their sensor principle, which is heavily influenced by the sensor material’s properties. This study explores methods for earlier sensor response through predictive algorithms. Specifically, we investigate transient response predictions using a First-Order (FO) model and propose improvements through the First-Order with early response and the First-Order with adapted early response model. Both models can predict the stable value of the H2 sensor response from a small time window, which is 70.89% and 83.72% earlier, respectively, than the time required for the sensor hardware to reach it physically. The model’s performance is evaluated by calculating the fitting error with a 2 % threshold. Our current research lays the groundwork for future advancements in real-time sensor response predictions for hydrogen leakage. T2 - IARIA Congress 2025 : The 2025 IARIA Annual Congress on Frontiers in Science, Technology, Services, and Applications CY - Venice, Italy DA - 06.07.2025 KW - H2 Safety KW - H2 leakage detection KW - First-Order (FO) model KW - H2 Sensor data analysis KW - H2 sensor response predictions PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640676 UR - https://www.thinkmind.org/articles/iaria_congress_2025_1_250_50159.pdf SN - 978-1-68558-284-5 SP - 1 EP - 8 PB - IARIA Press CY - Wilmington AN - OPUS4-64067 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Sarif, Raduan A1 - Tiebe, Carlo A1 - Herglotz, Christian T1 - Analysis of Methods for Predicting H2 Sensor Responses N2 - Hydrogen (H2) is crucial for replacing fossil fuels and achieving net-zero emissions, but its flammability and explosiveness pose safety challenges. Rapid H2 leak detection is essential for triggering emergency accidents. However, H2 sensor response is constrained by material properties and gas flow dynamics, causing response and detection delays. Our current study explores various available algorithms for H2 sensor response prediction from early responses with a small time window, accelerating leakage detection. Our findings identify the most efficient algorithms for real-time implementation, enhancing H2 safety systems. T2 - SMSI 2025 2025-05-06 - 2025-05-08 Nürnberg CY - Nuremberg, Germany DA - 06.05.2025 KW - H2 safety KW - Early H2 leakage detection KW - Prediction algorithms KW - Stable H2 value prediction PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640617 SN - 978-3-910600-06-5 DO - https://doi.org/10.5162/SMSI2025/C6.3 SP - 169 EP - 170 PB - AMA Verband für Sensorik und Messtechnik e.V. CY - Berlin AN - OPUS4-64061 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Stawski, Tomasz A1 - Karafiludis, Stephanos A1 - Pimentel, Carlos A1 - Montes-Hernández, German A1 - Kochovski, Zdravko A1 - Bienert, Ralf A1 - Weimann, Karin A1 - Emmerling, Franziska A1 - Scoppola, Ernesto A1 - Van Driessche, Alexander E.S. T1 - Solution-driven processing of calcium sulfate: The mechanism of the reversible transformation of gypsum to bassanite in brines N2 - Here, we show that calcium sulfate dihydrate (gypsum) can be directly, rapidly and reversibly converted to calcium sulfate hemihydrate (bassanite) in high salinity solutions (brines). The optimum conditions for the efficient production of bassanite in a short time (<5 min) involve the use of brines with c(NaCl) > 4 M and maintaining a temperature, T > 80 °C. When the solution containing bassanite crystals is cooled down to around room temperature, eventually gypsum is formed. When the temperature is raised again to T > 80 °C, bassanite is rapidly re-precipitated. This contrasts with the better-known behaviour of the bassanite phase in low-salt environments. In low-salinity aqueous solutions, bassanite is considered to be metastable with respect to gypsum and anhydrite, and therefore gypsum-to-bassanite conversion does not occur in pure water. Interestingly, the high-salinity transformation of gypsum-to-bassanite has been reported by many authors and used in practice for several decades, although its very occurrence actually contradicts numerical thermodynamic predictions regarding solubility of calcium sulfate phases. By following the evolution of crystalline phases with in situ and time-resolved X-ray diffraction/scattering and Raman spectroscopy, we demonstrated that the phase stability in brines at elevated temperatures was inaccurately represented in the thermodynamic databases. Most notably for c(NaCl) > 4 M, and T > 80 °C gypsum becomes readily more soluble than bassanite, which induces the direct precipitation of the latter from gypsum. The fact that these transformations are controlled by the solution provides extensive opportunities for precise manipulation of crystal formation. Our experiments confirmed that bassanite remained the sole crystalline phase for many hours before reverting into gypsum. This property is extremely advantageous for practical processing and efficient crystal extraction in industrial scenarios. KW - Industrial and Manufacturing Engineering KW - Strategy and Management KW - General Environmental Science KW - Renewable Energy, Sustainability and the Environment KW - Building and Construction KW - Calcium sulfate KW - Gypsum KW - Bassanite KW - Scattering KW - Raman KW - In situ KW - Synchrotron KW - BESSY KW - MySpot PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594698 UR - https://www.sciencedirect.com/science/article/pii/S0959652624004591#appsec1 DO - https://doi.org/10.1016/j.jclepro.2024.141012 SN - 0959-6526 VL - 440 SP - 1 EP - 12 PB - Elsevier B.V. AN - OPUS4-59469 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Grengg, C. A1 - Gluth, Gregor A1 - Mittermayr, F. A1 - Ukrainczyk, N. A1 - Bertmer, M. A1 - de Oliveira Guilherme Buzanich, Ana A1 - Radtke, Martin A1 - Leis, A. A1 - Dietzel, M. T1 - Deterioration mechanism of alkali-activated materials in sulfuric acid and the influence of Cu: A micro-to-nano structural, elemental and stable isotopic multi-proxy study N2 - In this study, a multi-proxy approach combining 29Si, 27Al and 1H MAS-NMR, FEG-EPMA, XANES at the Cu K-edge and XRD analytics with hydrochemical tools such as ICP-OES analyses, oxygen-isotope signatures, and thermodynamic modelling was applied to K-silicate-activated metakaolin specimens - with and without CuSO4·5H2O addition - exposed to sulfuric acid at pH = 2 for 35 days. The results revealed a multistage deterioration mechanism governed by (i) acid diffusion, (ii) leaching of K-A-S-H, (iii) microstructural damage related to precipitation of expansive (K,Ca,Al)-sulfate-hydrate phases (iv) complete dissolution of the K-A-S-H framework, (v) and formation of silica gel in the outermost corroded regions. Copper ions were mainly located in layered spertiniite-chrysocolla-like phases in the as-cured materials. The results demonstrate an overall negative effect of Cu addition on chemical material durability, implying that the reported higher durability of Cu-doped AAM in biocorrosion environments can be best explained by bacteriostatic effects. KW - Alkali-activated materials KW - Acid resistance KW - Microbially induced corrosion KW - MIC PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-520567 DO - https://doi.org/10.1016/j.cemconres.2021.106373 SN - 0008-8846 VL - 142 SP - 1 EP - 15 PB - Elsevier CY - Oxford AN - OPUS4-52056 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Radtke, Martin A1 - Buzanich, Günter A1 - Curado, Jessica A1 - Reinholz, Uwe A1 - Riesemeier, Heinrich A1 - Scharf, O. T1 - Slicing - a new method for non destructive 3D elemental sensitive characterization of materials N2 - Recent advances in synchrotron sources and detector technology have led to substantial improvements in spatial resolution and detection limits for X-ray fluorescence analysis (XRF). However, the non-destructive three-dimensional elemental sensitive characterization of samples remains a challenge. We demonstrate the use of the so-called 'Color X-ray Camera' (CXC) for 3D measurements for the first time. The excitation of the sample is realized with a thin sheet-beam. The stepwise movement of the sample allows getting the elemental distribution for each layer with one measurement. These layers can be combined to a full 3D dataset for each element afterwards. Since the information is collected layer by layer, there is no need to apply reconstruction techniques, which quite often are the reason for artifacts in the results achieved by computed tomography (CT). The field of applications is wide, as the 3D elemental distribution of a material contains clues to processes inside the samples from a variety of origins. The technique is of special interest and well suited for biological specimens, because their light matrix minimizes restricting absorption effects. Measurement examples of a hornet and the teeth of a Sorex araneus are shown. KW - SR-microXRF KW - 3D KW - CXC PY - 2014 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-324330 DO - https://doi.org/10.1039/c4ja00085d SN - 0267-9477 SN - 1364-5544 VL - 29 IS - 8 SP - 1339 EP - 1344 PB - Royal Society of Chemistry CY - London AN - OPUS4-32433 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Smekhova, A. A1 - Kuzmin, A. A1 - Siemensmeyer, K. A1 - Luo, C. A1 - Chen, K. A1 - Radu, F. A1 - Weschke, E. A1 - Reinholz, Uwe A1 - de Oliveira Guilherme Buzanich, Ana A1 - Yusenko, Kirill T1 - Al-driven peculiarities of local coordination and magnetic properties in single-phase Alx-CrFeCoNi high-entropy alloys N2 - Modern design of superior multi-functional alloys composed of several principal components requires in-depth studies of their local structure for developing desired macroscopic properties. Herein, peculiarities of atomic arrangements on the local scale and electronic states of constituent elements in the single-phase face-centered cubic (fcc)- and body-centered cubic (bcc)-structured high-entropy Alx-CrFeCoNi alloys (x = 0.3 and 3, respectively) are explored by element-specific X-ray absorption spectroscopy in hard and soft X-ray energy ranges. Simulations based on the reverse Monte Carlo approach allow to perform a simultaneous fit of extended X-ray absorption fine structure spectra recorded at K absorption edges of each 3d constituent and to reconstruct the local environment within the first coordination shells of absorbers with high precision. The revealed unimodal and bimodal distributions of all five elements are in agreement with structure-dependent magnetic properties of studied alloys probed by magnetometry. A degree of surface atoms oxidation uncovered by soft X-rays suggests different kinetics of oxide formation for each type of constituents and has to be taken into account. X-ray magnetic circular dichroism technique employed at L2,3 absorption edges of transition metals demonstrates reduced magnetic moments of 3d metal constituents in the sub-Surface region of in situ cleaned fcc-structured Al0.3-CrFeCoNi compared to their bulk values. Extended to nanostructured versions of multicomponent alloys, such studies would bring new insights related to effects of high entropy mixing on low dimensions. KW - X-ray magnetic circular dichroism (XMCD) KW - High-entropy alloys KW - Reverse Monte Carlo KW - Magnetism KW - Element-specific spectroscopy KW - Extended X-ray absorption fine structure (EXAFS) PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-530668 DO - https://doi.org/10.1007/s12274-021-3704-5 SN - 1998-0124 VL - 15 IS - 6 SP - 4845 EP - 4858 PB - Springer AN - OPUS4-53066 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -