TY - CONF A1 - Winckelmann, Alexander T1 - Next level lithium isotope analysis by atomic absorption spectrometry in combination with machine learning N2 - An alternative method for lithium isotope amount ratio analysis is proposed by combining atomic absorption spectrometry with spectra data analysis by machine leaning. It is based on the well-known isotope shift of around 15 pm for the electronic transition at wavelength 670.7845 nm which can be measured by a high-resolution continuum source atomic absorption spectrometer (HR-CS-AAS). For isotope amount ratio analysis, a scalable three boosting machine learning algorithm (XGBoost) was employed and calibrated with a set of samples with a 6Li isotope amount fraction ranging from 99% to 6%. The absolute Li isotope amount fractions of these calibration samples were previously measured by multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) and used as ab-initio data for the machine learning algorithm. Validation of the machine leaning model was performed with two standard reference materials (LSVEC and IRMM-016). The procedure was employed for the isotope amount ratio determination of a set of stock chemicals (Li2CO3, LiNO3, LiCl, LiOH, and LiF) as well as a BAM candidate LiMNC cathode reference material. Achieved uncertainties are one order of magnitude higher than those obtained by MC-ICP-MS. This precision and accuracy is nonetheless sufficient to resolve natural occurring variations in Lithium isotope ratios. Also, the LiMNC material was analyzed by HR-CS-AAS with and without matrix purification. The results are comparable within statistical error. T2 - Make and Measure 2020 CY - Online Meeting DA - 15.10.2020 KW - Lithium batteries KW - HR-CS-AAS KW - Machine learning KW - Isotope analysis KW - Spectrometry PY - 2020 AN - OPUS4-51541 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ziegler, Mathias T1 - Advancing Active Thermography for NDT: The Role of Standardization N2 - Infrared thermography, particularly its active form, is increasingly used in various industries in non-destructive testing (NDT). To support its broader adoption, structured standardization efforts have been developed within CEN/TC 138/WG11 and coordinated with ISO. Key standards—such as EN 16714, EN 17119, and EN 17501—define principles, procedures, and equipment requirements. Current activities include finalizing the draft on induction thermography, revising EN 17119, and developing new projects on optical lock-in, laser weld inspection, and thermal diffusivity. Standardization enhances comparability, reliability, and certification, making thermography a robust and scalable solution within the global NDT framework. T2 - AITA 2025 CY - Kobe, Japan DA - 15.09.2025 KW - Active thermography KW - Non-destructive testing (NDT) KW - Standardization KW - CEN/TC 138/WG11 KW - Infrared inspection KW - Industrial qualification PY - 2025 AN - OPUS4-64572 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Graeber, Gustav T1 - Using X -ray computed tomography to learn more about alkali -metal batteries: Trajectory towards operando analysis N2 - Here we discuss how X-ray computed tomography can be used to learn more about alkali-metal batteries. We show wetting phenomena in alkali-metal batteries, discuss various techniques to study them, and show our recent results obtained at DESY in Hamburg. T2 - Operando battery workshop at CSMB CY - Berlin, Germany DA - 17.09.2025 KW - Battery KW - X-ray computed tomography KW - Operando PY - 2025 AN - OPUS4-64468 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Graeber, Gustav T1 - Wetting and phase change phenomena in alkali -metal batteries N2 - Presentation about the importance of wetting and phase change phenomena in batteries. Hihglighting our work on Du Noüy ring tensiometry of alkali metals and wetting studies of alkali metals in contact with porous carbon hosts in alkali metal batteries with solid electrolytes. T2 - International Battery Workshop (ASPIRE, TwinBat) CY - Berlin, Germany DA - 15.9.2025 KW - Battery KW - Sodium KW - Wetting PY - 2025 AN - OPUS4-64467 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Baller, Johannes A1 - Hilger, André A1 - Qi, Naiyu A1 - Morini, Chiara A1 - Cornelio, Andrea A1 - Remhof, Arndt A1 - Osenberg, Markus A1 - Manke, Ingo A1 - Moosmann, Julian A1 - Beckmann, Felix A1 - Graeber, Gustav T1 - Wetting Interactions Between Porous Carbon Hosts and Liquid Sodium‐Potassium Alloys Toward Their Use in Negative Electrodes of Alkali‐Metal Batteries N2 - Batteries with liquid alkali‐metal negative electrodes offer a route to compact, high‐performance energy storage. Innovation in alkali‐metal management, i.e., controlled storage, release and transport of liquid alkali metal, can enable simpler and cheaper cell designs. Porous carbons have emerged as potential host materials for liquid alkali metals. Here, X‐ray computed tomography is used to study the wetting interactions between porous carbon hosts and liquid sodium‐potassium alloy (NaK) as a function of carbon host morphology and surface functionalization. While as‐received carbon samples show no affinity toward NaK, heat‐treated carbon is spontaneously infiltrated with NaK filling almost the entire pore volume. It is explored how forced wetting partially fills pores of NaK‐repellant hosts, showing large differences in pore filling based on the average pore size of the host material. In electrochemical discharge experiments, it is shown that both as‐received and heat‐treated carbon felt enable high areal capacities beyond 40 mAh cm−2. However, the heat‐treated carbon shows ten times lower overpotential. Finally, it is demonstrated how heat‐treated carbon felt can enable capillary transport of NaK. In summary, this study elucidates important aspects of the interactions between liquid alkali metals and porous carbon hosts, generating insights into possible applications in liquid alkali‐metal batteries. KW - Battery KW - Solid electrolyte KW - Sodium KW - Wetting PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-644663 DO - https://doi.org/10.1002/adfm.202523169 SN - 1616-301X SP - 1 EP - 10 PB - Wiley VHC-Verlag AN - OPUS4-64466 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Batatia, Ilyes A1 - Benner, Philipp A1 - Chiang, Yuan A1 - Elena, Alin M. A1 - Kovács, Dávid P. A1 - Riebesell, Janosh A1 - Advincula, Xavier R. A1 - Asta, Mark A1 - Avaylon, Matthew A1 - Baldwin, William J. A1 - Berger, Fabian A1 - Bernstein, Noam A1 - Bhowmik, Arghya A1 - Bigi, Filippo A1 - Blau, Samuel M. A1 - Cărare, Vlad A1 - Ceriotti, Michele A1 - Chong, Sanggyu A1 - Darby, James P. A1 - De, Sandip A1 - Della Pia, Flaviano A1 - Deringer, Volker L. A1 - Elijošius, Rokas A1 - El-Machachi, Zakariya A1 - Fako, Edvin A1 - Falcioni, Fabio A1 - Ferrari, Andrea C. A1 - Gardner, John L. A. A1 - Gawkowski, Mikołaj J. A1 - Genreith-Schriever, Annalena A1 - George, Janine A1 - Goodall, Rhys E. A. A1 - Grandel, Jonas A1 - Grey, Clare P. A1 - Grigorev, Petr A1 - Han, Shuang A1 - Handley, Will A1 - Heenen, Hendrik H. A1 - Hermansson, Kersti A1 - Ho, Cheuk Hin A1 - Hofmann, Stephan A1 - Holm, Christian A1 - Jaafar, Jad A1 - Jakob, Konstantin S. A1 - Jung, Hyunwook A1 - Kapil, Venkat A1 - Kaplan, Aaron D. A1 - Karimitari, Nima A1 - Naik, Aakash A. A1 - Csányi, Gábor T1 - A foundation model for atomistic materials chemistry N2 - Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much of our understanding of chemistry and materials science. Over the last decade or so, machine-learned force fields have transformed atomistic modeling by enabling simulations of ab initio quality over unprecedented time and length scales. However, early machine-learning (ML) force fields have largely been limited by (i) the substantial computational and human effort required to develop and validate potentials for each particular system of interest and (ii) a general lack of transferability from one chemical system to the next. Here, we show that it is possible to create a general-purpose atomistic ML model, trained on a public dataset of moderate size, that is capable of running stable molecular dynamics for a wide range of molecules and materials. We demonstrate the power of the MACE-MP-0 model—and its qualitative and at times quantitative accuracy—on a diverse set of problems in the physical sciences, including properties of solids, liquids, gases, chemical reactions, interfaces, and even the dynamics of a small protein. The model can be applied out of the box as a starting or “foundation” model for any atomistic system of interest and, when desired, can be fine-tuned on just a handful of application-specific data points to reach ab initio accuracy. Establishing that a stable force-field model can cover almost all materials changes atomistic modeling in a fundamental way: experienced users obtain reliable results much faster, and beginners face a lower barrier to entry. Foundation models thus represent a step toward democratizing the revolution in atomic-scale modeling that has been brought about by ML force fields. KW - Materials Design KW - Thermal Conducitivity KW - Nanoparticles KW - Batteries PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-647829 DO - https://doi.org/10.1063/5.0297006 SN - 0021-9606 VL - 163 IS - 18 SP - 1 EP - 89 PB - AIP Publishing AN - OPUS4-64782 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dayani, Shahabeddin T1 - 4D imaging of abuse mechanisms in Li-ion batteries N2 - Higher energy density materials are being pushed by the research community to make lithium ion batteries a better competitor of chemical fossil fuels for transport applications. This increases potential risk of lithium ion batteries and therefore safety investigations are highly important for application purposes. Operando Computer Tomography provides a non-destructive investigation method of different abuse mechanisms. Application of X-ray computed tomography (XCT) for studying lithium-ion batteries has gained interest among the research community especially in the past decade [1]. This technique is widely used for ex-situ samples to measure porosity and tortuosity [2], particle size and volume distribution [3] in the graphite anode as well as different cathode materials such as LiCoOx and NiMnCoOx. [4]. In situ measurements of commercial batteries are also often carried out to detect defects induced in a cell by a safety abuse test or manufacturing process [5]. Operando CT of large cells (for example 18650 form factor) is conducted at synchrotron facilities with high flux of high energy photons, however at a cost of details due to the large field of view [6]. Methodik Thanks to their high brilliance, synchrotron beam facilitates us to do a full Computed Tomography in a short time. This enables us to measure batteries while being cycled with a reasonable time resolution to record morphological changes. In this poster we illustrate how one can utilize this ability to investigate abuse mechanisms on an actual commercially available lithium ion battery as well as a home made micro cell. Ergebnisse In this work, lab-based and synchrotron X-ray computed tomography is applied to commercial Li-ion batteries. It is shown how to find most suitable imaging settings to study available lithium-ion batteries on different size scales, from cell level to particle level. We also demonstrate how to optimize contrast as well as both temporal and spatial resolutions to study in-situ and operando processes in a commercial battery using attenuation and phase contrast SXCT. Manufacturing defects and inconsistencies on cell level as well as the electrode and microstructure on material level are shown in our study. Moreover, some abuse conditions are imaged in operando in a commercially available li-ion battery. Diskussion This work has demonstrated various imaging settings using lab and synchrotron based X-ray computed tomography to study in-situ as well as under operando condition, some abuse mechanisms in commercial lithium-ion batteries from cell level to electrode and particle level. T2 - Batterie Forum Deutschland CY - Berlin, Germany DA - 18.01.2023 KW - X-ray Computed tomography KW - Li ion Battery KW - Imaging PY - 2023 AN - OPUS4-57156 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lu, J. A1 - Zhang, S. A1 - Yao, J. A1 - Guo, Z. A1 - Osenberg, M. A1 - Hilger, A. A1 - Markötter, Henning A1 - Wilde, F. A1 - Manke, I. A1 - Zhang, X. A1 - Sun, F. A1 - Cui, G. T1 - Synergistic Effect of CO2 in Accelerating the Galvanic Corrosion of Lithium/Sodium Anodes in Alkali Metal−Carbon Dioxide Batteries N2 - Rechargeable alkali metal−CO2 batteries, which combine high theoretical energy density and environmentally friendly CO2 fixation ability, have attracted worldwide attention. Unfortunately, their electrochemical performances are usually inferior for practical applications. Aiming to reveal the underlying causes, a combinatorial usage of advanced nondestructive and postmortem characterization tools is used to intensively study the failure mechanisms of Li/Na−CO2 batteries. It is found that a porous interphase layer is formed between the separator and the Li/Na anode during the overvoltage rising and battery performance decaying process. A series of control experiments are designed to identify the underlying mechanisms dictating the observed morphological evolution of Li/Na anodes, and it is found that the CO2 synergist facilitates Li/Na chemical corrosion, the process of which is further promoted by the unwanted galvanic corrosion and the electrochemical cycling conditions. A detailed compositional analysis reveals that the as-formed interphase layers under different conditions are similar in species, with the main differences being their inconsistent quantity. Theoretical calculation results not only suggest an inherent intermolecular affinity between the CO2 and the electrolyte solvent but also provide the most thermodynamically favored CO2 reaction pathways. Based on these results, important implications for the further development of rechargeable alkali metal−CO2 batteries are discussed. The current discoveries not only fundamentally enrich our knowledge of the failure mechanisms of rechargeable alkali metal−CO2 batteries but also provide mechanistic directions for protecting metal anodes to build high-reversible alkali metal−CO2 batteries. KW - Alkali metal batteries KW - Synchrotron X-ray computed tomography KW - Lithium/sodium−carbon dioxide batteries KW - Battery failure mechanisms KW - Alkali metal anodes PY - 2024 DO - https://doi.org/10.1021/acsnano.4c02329 SP - 1 EP - 16 AN - OPUS4-59922 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zhang, X. A1 - Zhang, S. A1 - Lu, J. A1 - Tang, F. A1 - Dong, K. A1 - Yu, Z. A1 - Hilger, A. A1 - Osenberg, M. A1 - Markötter, Henning A1 - Wilde, F. A1 - Zhang, S. A1 - Zhao, J. A1 - Xu, G. A1 - Manke, I. A1 - Sun, F. A1 - Cui, G. T1 - Unveiling the Electro-Chemo-Mechanical Failure Mechanism of Sodium Metal Anodes in Sodium–Oxygen Batteries by Synchrotron X-Ray Computed Tomography N2 - Rechargeable sodium–oxygen batteries (NaOBs) are receiving extensive research interests because of their advantages such as ultrahigh energy density and cost efficiency. However, the severe failure of Na metal anodes has impeded the commercial development of NaOBs. Herein, combining in situ synchrotron X-ray computed tomography (SXCT) and other complementary characterizations, a novel electro-chemo-mechanical failure mechanism of sodium metal anode in NaOBs is elucidated. It is visually showcased that the Na metal anodes involve a three-stage decay evolution of a porous Na reactive interphase layer (NRIL): from the initially dot-shaped voids evolved into the spindle-shaped voids and the eventually-developed ruptured cracks. The initiation of this three-stage evolution begins with chemical-resting and is exacerbated by further electrochemical cycling. From corrosion science and fracture mechanics, theoretical simulations suggest that the evolution of porous NRIL is driven by the concentrated stress at crack tips. The findings illustrate the importance of preventing electro-chemo-mechanical degradation of Na anodes in practically rechargeable NaOBs. KW - Synchrotron radiation KW - X-ray imaging KW - NaO-battery PY - 2024 DO - https://doi.org/10.1002/adfm.202402253 SN - 1616-301X SP - 1 EP - 12 PB - Wiley VHC-Verlag AN - OPUS4-59820 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Müller, R. A1 - Boenke, T. A1 - Dörfler, S. A1 - Abendroth, T. A1 - Härtel, P. A1 - Althues, H. A1 - Kaskel, S. A1 - Kardjilov, N. A1 - Markötter, Henning A1 - Sintschuk, Michael A1 - Hilger, A. A1 - Manke, I. A1 - Risse, S. T1 - Multimodal Operando Analysis of Lithium Sulfur Multilayer Pouch Cells: An In-Depth Investigation on Cell Component Design and Performance N2 - This study presents an innovative operando analysis of lithium-sulfur (Li/S) multilayer pouch cells, employing a combination of lab-source and synchrotron x-ray imaging to investigate sulfur crystallite dissolution and lithium dendrite formation. By integrating advanced X-ray imaging, impedance spectroscopy, and simultaneous monitoring of temperature and pressure, the research uncovers critical insights into the behavior of active and inactive cell components. The analysis reveals significant degradation increments, primarily driven by side product accumulation and the deterioration of lithium microstructures, which contribute to performance loss over cycling. Additionally, temperature distribution analysis shows a strong correlation between joule heating, polarization resistance, and the observed endothermic processes during crystallization. These findings provide a comprehensive understanding of the mechanistic processes within industrially relevant pouch cells, highlighting opportunities for optimizing Li/S cell designs and advancing high-energy-density battery systems for commercial applications. KW - Current collector perforation KW - Impedance spectroscopy KW - Lthium sulfur batteries KW - Multilayer pouch cells KW - X-ray imaging PY - 2025 DO - https://doi.org/10.1002/aenm.202404256 SP - 1 EP - 12 PB - Wiley VHC-Verlag AN - OPUS4-62436 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - RPRT A1 - Knigge, Xenia A1 - Radnik, Jörg T1 - Advanced materials for the energy transition N2 - The climate crisis is the burning issue of our time. In order to avert the impending consequences, global efforts are being made in a wide variety of social and scientific fields. This report looks at a small part of these efforts, a technical aspect, namely the question of which AdMa are currently considered in techniques to support the energy transition. AdMa, i.e. materials that are rationally designed to have new or enhanced properties, and/or targeted or enhanced structural features, are used in all sectors of the energy transition. Questions of energy generation, storage and saving are considered here. This report is based on literature research and contains a general compilation of various AdMa that are used in the energy transition or are being researched for this purpose. From this compilation, ten materials that are considered particularly relevant for various reasons were selected and examined in more detail in relation to their use. The specific question here lies in the conflicting objective that the development of technologies for the energy transition is welcomed, but the use of AdMa may entail possible challenges in view of chemical safety as well as sustainability and circular economy. KW - Energy generation KW - Energy saving KW - Eneergy storage KW - Energy transportation PY - 2025 DO - https://doi.org/10.60810/openumwelt-7853 SN - 1862-4804 VL - 83 SP - 1 EP - 64 PB - Umweltbundesamt CY - Dessau-Roßlau AN - OPUS4-63529 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Stargardt, Patrick A1 - Bresch, Sophie A1 - Falkenberg, Rainer A1 - Mieller, Björn T1 - Effect of Reaction Layers on Internal Stresses in Co‐Fired Multilayers of Calcium Manganate and Calcium Cobaltite N2 - A widespread recovery of waste heat requires a cost‐effective production of thermoelectric generators. Thermoelectric oxides are predestined for use at high temperatures. For manufacturing reasons, a multilayer generator design will be easily scalable and cost‐effective. To evaluate the potential of ceramic multilayer technology for that purpose, a multilayer of the promising thermoelectric oxides calcium cobaltite (Ca3Co4O9), calcium manganate (CMO, CaMnO3), and glass–ceramic insulation layers is fabricated. Cracks and reaction layers at the interfaces are observed in the microstructure. The compositions of these reaction layers are identified by energy‐dispersive X‐ray spectroscopy and X‐ray diffraction. Mechanical and thermal properties of all layers are compiled from literature or determined by purposeful sample preparation and testing. Based on this data set, the internal stresses in the multilayer after co‐firing are calculated numerically. It is shown that tensile stresses in the range of 50 MPa occur in the CMO layers. The reaction layers have only a minor influence on the level of these residual stresses. Herein, it is proven that the material system is basically suitable for multilayer generator production, but that the co‐firing process and the layer structure must be adapted to improve densification and reduce the tensile stresses in the CMO. KW - Ceramic multilayers KW - Co-firings KW - Internal stresses PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-601626 DO - https://doi.org/10.1002/pssa.202300956 SP - 1 EP - 9 PB - Wiley VHC-Verlag AN - OPUS4-60162 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Widjaja, Martinus Putra T1 - Sample Performance Chart (SPC) for displaying the results from a multiscale model N2 - The stacking sequence of a real scale type IV pressure vessels has been found. Feasibility study of a multiscale model has been carried out by modifying the original stacking sequence. All of the results were displayed in a Sample Performance Chart (SPC), where different burst pressure in terms of mean and scatter had been found. T2 - Consortium Meeting FiBreMoD CY - Valence, France DA - 17.02.2020 KW - Fibre break KW - Multiscale model KW - Reduced volume method KW - Sample performance chart KW - Type IV pressure vessels PY - 2020 AN - OPUS4-50563 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Sediqi, Salmin T1 - Multi-principal element alloy nanoparticle (MPEA-NP) electrocatalysts prepared by pulsed laser ablation for electroreduction of CO2 N2 - Multi-principal element alloy (MPEA) nanoparticle electrocatalysts have the potential to provide a cost-effective and efficient alternative to noble metal electrocatalysts. The chemically complex nature and the high configurational entropy of MPEAs offer advantages in tailoring catalytic activity, product selectivity, and improved stability under harsh reaction conditions. Cu-containing bimetallic catalyst systems have already been demonstrated to lead to a significant increase in catalytic efficiency compared to monometallic systems. Thus, this project aims at the design of Cu-containing MPEAs and nanoparticle electrocatalysts for carbon dioxide reduction reaction. In this project, base alloys were prepared by means of arc melting with subsequent homogenization treatments and processed by pulsed laser ablation in water and organic solvents into high-purity nanoparticles. The nanoparticles were characterized by means of transmission electron microscopy (TEM) and energy-dispersive X-ray spectroscopy (EDX). Electrochemical testing was performed both on bulk alloy samples and nanoparticle film coated glassy carbon electrodes by means of cyclic voltammetry (CV), linear sweep voltammetry (LSV) and electrochemical impedance spectroscopy (EIS). Nanoparticle coated electrodes have been investigated by means of atomic force microscopy (AFM) and scanning kelvin probe force microscopy (SKPFM) to assure a homogeneous distribution on the electrode surface. The presentation will summarize our initial results on the electrocatalytic activity of Cu-MPEA system for carbon dioxide reduction. T2 - OPERANDO SPM 2023 CY - Berlin DA - 15.11.2023 KW - Chemically Complex Materials KW - CCMat KW - Electrocatalysis PY - 2023 AN - OPUS4-59402 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mendive Tapia, Eduardo A1 - Patrick, Christopher E A1 - Hickel, Tilmann A1 - Neugebauer, Jörg A1 - Staunton, Julie B T1 - Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1-x)(13) N2 - La(FexSi1−x)13 and derived quaternary compounds are well-known for their giant, tunable, magneto- and barocaloric responses around a first-order paramagnetic-ferromagnetic transition near room temperature with low hysteresis. Remarkably, such a transition shows a large spontaneous volume change together with itinerant electron metamagnetic features. While magnetovolume effects are well-established mechanisms driving first-order transitions, purely electronic sources have a long, subtle history and remain poorly understood. Here we apply a disordered local moment picture to quantify electronic and magnetoelastic effects at finite temperature in La(FexSi1−x)13 from first-principles. We obtain results in very good agreement with experiment and demonstrate that the magnetoelastic coupling, rather than purely electronic mechanisms, drives the first-order character and causes at the same time a huge electronic entropy contribution to the caloric response. KW - Caloric effects KW - Ab initio thermodynamics KW - Magnetoeleastic couplin PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-587882 DO - https://doi.org/10.1088/2515-7655/acd027 SN - 2515-7655 VL - 5 IS - 3 SP - 1 EP - 16 PB - IOP Publishing AN - OPUS4-58788 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bäßler, Ralph T1 - Wechselwirkungen in Geothermieanlagen - nicht nur ein Beständigkeitsaspekt N2 - Um Konstrukteuren und Nutzern geothermischer Anlagen grundlegende Informationen über die Korrosionsbeständigkeit zur Verfügung zu stellen, wurden verschiedene metallische Werkstoffe, darunter nichtrostende Duplex- und austenitische Stähle sowie eine Nickellegierung, in künstlichen Geothermalwässern bewertet, die die Bedingungen an verschiedenen Standorten mit geothermischem Potenzial simulieren. Mit Hilfe von elektrochemischen und Langzeittests wurde die Eignung verschiedener metallener Werkstoffe mittels kritischer Potentiale und Korrosionsraten untersucht. In hochsalinaren Umgebungen erwies sich Spaltkorrosion als der entscheidende Mechanismus. Die Nickelbasislegierung zeigt eine ausgezeichnete Beständigkeit gegenüber Lochkorrosion. Abgesehen von ihren hohen Kosten eignet sie sich sehr gut für den Bau von Geothermieanlagen mit stark salzhaltigen Fluiden. Rostfreie Stähle und Duplexstähle weisen eine begrenzte Korrosionsbeständigkeit gegen Loch- und Spaltkorrosion auf. Daher sind sie für stark salzhaltige Fluide nicht geeignet. Der Superaustenit zeigt ein temperaturabhängiges Verhalten. In nichtsalinaren Umgebungen könnten niedrig legierte Stähle (neben den höher legierten Werkstoffen) als Konstruktionsmaterial für Geothermieanlagen eingesetzt werden, sofern eine ausreichende Wandstärke des Materials berücksichtigt wird. Neben Korrosionsaspekten erwies sich auch die Ausfällung von Fluidbestandteilen als interessantes Thema. Beim Betrieb der Forschungsanlage in Groß Schönebeck wurden Kupfer- und Bleieffekte im Bohrloch festgestellt. Die auftretenden Mechanismen und Maßnahmen zur Verhinderung von Ausfällungen und Abscheidungen wurden ebenso untersucht, wie deren mögliche Einflüsse auf die Korrosionsbeständigkeit metallener Werkstoffe für Anlagenkomponenten. Der Vortrag beschreibt die Wechselwirkungen zwischen Geothermalwässern und Ausrüstungs-komponenten. T2 - Geothermiekongress 2024 CY - Potsdam, Germany DA - 22.10.2024 KW - Örtliche Korrosion KW - Edelstahl KW - Geothermie KW - Ni-Legierung KW - Abscheidung PY - 2024 AN - OPUS4-61441 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - You, Zengchao A1 - Hoffmann, V. A1 - Morcillo, Dalia A1 - Agudo Jácome, Leonardo A1 - Leonhardt, Robert A1 - Winckelmann, Alexander A1 - Richter, Silke A1 - Recknagel, Sebastian A1 - Abad Andrade, Carlos Enrique T1 - Investigation of aluminum current collector degradation in lithium-ion batteries using glow discharge optical emission spectrometry N2 - In this work, we employed glow discharge optical emission spectrometry (GD-OES) depth profiling as a fast and semi-quantitative method to investigate the aluminum (Al) current collector degradation in commercial lithium cobalt oxide (LCO) pouch cells with no Al2O3 pretreatment. After battery aging, a heterogeneous deposit was found on the surface of the cathode. Gray hotspot areas within an extensive pale white region were formed. Consistent with energy dispersive X-ray (EDX) analysis of micro-cross sections milled via targeted focused ion beam (FIB), an Al-containing layer of approximately 3 µm can be observed using GD-OES. We attribute one main cause of this layer is the degradation of the Al current collector. The nonuniform growth of this layer was investigated by performing GD-OES depth profiling at different in-plane positions. We found that the gray area has a higher mass concentration of Al, probably in metallic form, whereas the white area was probably covered more homogeneously with Al2O3, resulting from the inhomogeneous distribution of the pitting positions on the current collector. Compared to FIB-EDX, GD-OES enables a faster and more convenient depth profile analysis, which allows the more productive characterization of lithium-ion batteries (LIBs), and consequently benefits the development of preferable battery materials. KW - GD-OES KW - depth profiles KW - Li-ion battery KW - battery aging mechanism KW - current collector corrosion PY - 2023 DO - https://doi.org/10.1016/j.sab.2023.106681 SN - 0584-8547 VL - 205 SP - 106681 PB - Elsevier B.V. CY - Amsterdam, Netherlands AN - OPUS4-57383 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - RPRT A1 - Duffner, Eric A1 - el Dsoki, Chalid A1 - John, Sebastian A1 - Schmidt, Anita A1 - Mair, Georg W. A1 - Loechner, Derek A1 - Drousch, Björn T1 - Sicherheitstechnische Bewertung thermischer Betriebsbelastung auf sicherheitskritische Ausrüstung am Beispiel von Composite-Atemluftflaschen und Lithiumbatterien N2 - Ziel des Vorhabens war es, den Einfluss der realen Temperaturbelastung auf Atemschutzflaschen und Lithiumbatterien in Funkgeräten (FG) im Löscheinsatz von Rettungskräften zu ermitteln und deren Auswirkung auf die Alterung und Lebensdauer sowie die potenziellen Gesundheitsgefahren bei deren Nutzung besser beurteilen zu können und Handlungshilfen abzuleiten. Im Rahmen dieses Vorhabens wurden zum einen unterschiedlich thermisch gealterte Composite-Atemluftflaschen systematisch hinsichtlich ihrer Restfestigkeiten untersucht. Zum anderen wurden Lithiumbatterien aus FG hinsichtlich der Einwirkung von kritischen Temperaturen untersucht, ab denen es zu einem thermischen Durchgehen der Batterien kommen kann. Für diese beiden wichtigen Komponenten, Lithiumbatterien und Composite-Atemluftflaschen, wurden kritische Temperatur-Zeit-Profile ermittelt, die Auswirkungen durch geeignete Methodiken untersucht und die sich ergebenden Gefährdungen für den Träger bewertet. Als Methodische Vorgehensweise wurden durch Realversuche die tatsächlichen und zuvor durch Literatur-recherche ermittelten Temperaturprofile verifiziert und auf deren Grundlage die Laborbelastungen abgeleitet. Um den Eigenschaften der aus Faserverbundwerkstoffen hergestellten Composite-Atemluftflaschen Rechnung zu tragen, wurden an zwei repräsentativen Baumustern unterschiedlicher Hersteller Stichprobengruppen unterschiedlicher thermischer Belastung ausgesetzt und hinsichtlich ihrer verbleibenden Restfestigkeitsabnahme geprüft und mit thermisch unbelasteten Baumustern verglichen. Neben den statischen Berstversuchen wurden auch kombinierte Alterungs- und Restfestigkeitsuntersuchungen an zyklisch belasteten Behältern durchgeführt. Die FG wurden thermisch sowohl statischen als auch zyklischen Belastungen ausgesetzt und mit Kapazitätsmessungen begleitet. Die statischen Versuche dienten dem Zweck, die maximale thermische Belastbarkeit der Akkus zu ermitteln, bei der noch kein Versagen auftritt. Bei den zyklischen Versuchen wurde der Temperaturverlauf bei Löscheinsätzen so nah wie möglich im Labor nachgestellt. Hierbei wurden die Akkus wiederholt einem Belastungsprofil mit konstanter Temperatur ausgesetzt und nach einigen Intervallen die Restkapazitäten am Akku gemessen und so die Degradation bestimmt. Als Fazit der im Rahmen dieses Vorhabens durchgeführten Untersuchungen an zwei repräsentativen Baumustern von Atemschutzflaschen kann gefolgert werden, dass die thermischen Belastungen abhängig vom Baumuster einen z.T. deutlichen Einfluss auf die Restfestigkeiten der Atemschutzflaschen haben. Höhere thermische Exposition ist, zumindest an den untersuchten Atemschutzflaschen, deutlich zu erkennen und die Flaschen können durch die zuständigen Gerätewarte leicht ausgesondert und ersetzt werden. Die thermischen Belastungen, wie sie im Rettungseinsatz auftreten, waren für die untersuchten Atemschutzflaschen und die Rettungskräfte nicht kritisch sind. Die langjährige Erfahrung etablierter Hersteller dürfte hier aber nicht ohne Einfluss sein. Es ist somit kein Grund erkennbar, von der Verwendung der leichteren Typ 4 Atemschutzflaschen abzuraten, wenn Atemschutzflaschen, die visuell erkennbare thermische Einwirkungen (Farbänderungen, Materialschmelzungen o.ä.) aufweisen, unmittelbar ersetzt werden. Die Ergebnisse an den FG zeigen, dass trotz hoher Temperaturen keine Selbstentzündung der Lithiumbatterien ausgelöst wird. Der Kapazitätsverlust der Batterien infolge der Belastung führt ebenfalls nicht zu einem Funktionsausfall. Es konnte gezeigt werden, dass die Kapazitätsbestimmung als zuverlässiges und geeignetes Kriterium für die Sicherheitsbewertung der Akkus herangezogen werden kann, wenn die Kapazitätsmessung bei gleichbleibenden Bedingungen (gleiche Raumtemperaturen, gleiche Messgeräte, etc.) stattfindet. Es wird empfohlen, die Akkus ab einer Restkapazität von unter 80% zu tauschen. Als schnelle und sehr einfache Überprüfung kann eine Sichtprüfung an den FG stattfinden. Die im Projekt verwendeten FG zeigten eine Verformung der Kunststoffhülle bei zu hohen Belastungen. N2 - The aim of the project was to determine the influence of the real temperature load on breathing apparatus cylinders and Lithium batteries in radio devices in firefighting operations by rescue services and to be able to better assess their effect on ageing and service life time as well as the potential health hazards and to derive guidelines for action. As part of this project, composite breathing air cylinders that had undergone different thermal ageing processes were systematically analysed with regard to their residual strength. as a second use case, lithium batteries used in radio devices were analysed with regard to the effect of critical temperatures above which thermal runaway of the batteries can occur. Critical temperature-time profiles were determined for these two important components, lithium batteries and composite breathing air cylinders, the effects for the user were analysed using suitable methods and the resulting hazards for the wearer were assessed. As a methodical approach, the actual temperature profiles previously determined by literature research were first verified in real tests and the laboratory loads were derived on this basis. In order to take into account the properties of composite breathing air cylinders made of fibre composites, sample groups were subjected to different thermal loads and examined with regard to their residual strength reduction and in comparison to thermally unloaded samples from two representative samples from different manufacturers. In addition to the static burst tests, combined ageing and residual strength tests were also carried out on cyclic loaded cylinders. The radio devices were subjected to both static and cyclic thermal loads with accompanying capacity measurements. The purpose of the static tests was to determine the maximum thermal load capacity of the batteries at which no failure occurs. In the cyclic tests, practical conditions were simulated as closely as possible in the laboratory. For this purpose, the batteries were repeatedly subjected to a load profile at a constant temperature and the residual capacity of the battery was measured after several intervals to determine the degradation. As a conclusion of the tests carried out on two representative types of breathing apparatus cylinders as part of this project, it can be concluded that the thermal loads have a sometimes significant influence on the residual strength of the breathing apparatus cylinders, depending on the type. Higher thermal exposure is clearly recognizable, at least on the breathing apparatus cylinders tested, and the cylinders can be easily remove and replaced by the responsible equipment maintainers. The thermal loads that occur during rescue operations were not critical for the tested breathing protection cylinders and the rescue teams. However, the many years of experience of established manufacturers should not be without influence here. There is therefore no reason to advise against the use of the lighter Type 4 breathing protection breathing apparatus cylinders if cylinders with visually recognizable thermal effects (color changes, material melting, etc.) are replaced immediately. The results on the radio devices showed that determination of the capacity can serve as a suitable criterion for the safety assessment for the batteries. The loss of capacity of the batteries as a result of the load also does not lead to a functional failure. The capacity determination can be used as a reliable and suitable criterion for the safety assessment of the batteries if the capacity measurement is carried out under constant conditions (same room temperatures, same measuring devices, etc.). It is recommended to replace the batteries when the remaining capacity is below 80%. A visual inspection of the radio devices can be carried out as a quick and very simple check. The radio devices used in the project showed deformation of the plastic casing when subjected to excessive loads. KW - Composite KW - Atemluftflaschen KW - Litiumbatterien KW - Funkgeräte KW - Thermische Belastung KW - Rettungskräfte KW - Feuerwehr KW - PSA KW - DGUV PY - 2024 UR - https://www.dguv.de/ifa/forschung/projektverzeichnis/ff-fp0462.jsp N1 - Abschlussbericht zum Vorhaben mit der Projekt-Nr. FF-FP 0462 (CoLiBri), Laufzeit 01.03.2021–29.02.2024, Bericht vom 15.04.2024 SP - 1 EP - 66 PB - Deutsche Gesetzliche Unfallversicherung (DGUV) CY - Berlin AN - OPUS4-59877 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Naumann, Kathrin A1 - Tichter, Tim A1 - Nielsen, Rasmus S. A1 - Seger, Brian A1 - Hansen, Ole A1 - Chorkendorff, Ib A1 - Vesborg, Peter C. K. T1 - Protection Materials on III–V Semiconductors for Photoelectrochemical CO Reduction N2 - Tantalum oxide (TaOx) and amorphous titanium dioxide (TiO2) are employed as protection materials for commercial GaInP/GaAs/Ge triple-junction solar cells to facilitate the unbiased photoelectrochemical reduction of carbon monoxide on nanostructured copper particles. It has been found that a photoelectrode protected by a 150 nm-thick layer of TiO2, capped with 8 nm TaOx, and decorated with copper nanocubes in the size of 150 nm can successfully drive the photoelectrochemical conversion of carbon monoxide to ethylene. Implemented into a photoelectrochemical flow reactor, which continuously supplies the active interface with CO-saturated electrolyte, the device achieves a faradaic efficiency of 24% under AM1.5G conditions. Direct attachment of the copper nanocubes to a protection layer of TiO2 in the absence of TaOx results in a strong hydrogen evolution reaction (HER) and no CO reduction products are found. This unexpected loss in selectivity is studied via post-operando X-ray photoemission spectroscopy and ion-scattering spectroscopy. No modifications in the redox state of TiO2 orsigns of H intercalation are found, while the preferential redeposition of small Cu nanoparticles is considered possible. This increasein HER appears specific for TiO2, as additional, purely electroanalytical experiments using tantalum oxide or carbon as a support layer for Cu nanocubes can produce ethylene effectively. KW - Photoelectrochemistry KW - Carbon Monoxide Reduction KW - Protection Material KW - Multi‐junction KW - Copper Catalyst PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-618712 DO - https://doi.org/10.1021/acs.jpcc.4c04782 SP - 1 EP - 10 PB - American Chemical Society (ACS) AN - OPUS4-61871 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Prenner, Stefanie A1 - Part, Florian A1 - Jandric, Aleksander A1 - Bordes, Arnaud A1 - Leonhardt, Robert A1 - Jung-Waclik, Sabine A1 - Huber-Humer, Marion ED - Djebali, Ridha T1 - Enabling Circular Business Models: Preconditions and Key Performance Indicators for the Market Launch of Repurposed Second‐Life Lithium‐Ion Batteries From Electric Vehicles N2 - With the rise of electric vehicles (EVs) and thus lithium‐ion batteries (LIBs), the number of end‐of‐life (EoL) LIBs after their first life in EVs is about to increase significantly. These end‐of‐first‐life (EoFL) EV LIBs still have sufficient energy density for less‐demanding second‐life applications like stationary battery energy storage systems (BESSs) or mobile applications (e.g., forklifts, tools). Repurposing EoFL EV LIBs extends their lifespan, offering sustainability benefits and supporting several United Nations (UN) Sustainable Development Goals (SDGs). However, prevailing market entry barriers, such as high repurposing costs, little information on battery history and aging, or lacking performance indicators, hinder the widespread implementation of second‐life applications. Thus, this study aims to identify preconditions for considering and selecting useful EoFL LIBs and to determine key performance indicators (KPIs) to minimize economic risks for a successful second‐life market launch. KPIs were rated according to importance using a Likert scale, and reference values were introduced. A mixed‐methods approach, using expert interviews, an exploratory workshop, and an online survey, was applied. Twelve important preconditions were identified, with the “availability of information on battery specification” and “compliance with standards and regulations” considered very important. In addition, 12 KPIs were derived, covering six economic, three environmental, and three technical and safety‐related indicators. The KPIs “state of safety (SoS)” and “resource savings (Rsav)” were rated as highly important. Overall, the findings provide performance measurement guidance for repurposing companies, facilitating the market launch and adoption of second‐life applications. Future research can build on these results and investigate variations among different battery types, ultimately promoting a circular economy. KW - Lithium-Ion battery KW - Key performance indicators KW - Circular economy KW - Electric vehicle KW - Sustainability PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-619167 DO - https://doi.org/10.1155/er/8331870 SP - 1 EP - 19 PB - Wiley AN - OPUS4-61916 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -