TY - JOUR A1 - Serrano-Munoz, Itziar A1 - Ulbricht, Alexander A1 - Fritsch, Tobias A1 - Mishurova, Tatiana A1 - Kromm, Arne A1 - Hofmann, M. A1 - Wimpory, R. C. A1 - Evans, Alexander A1 - Bruno, Giovanni T1 - Scanning Manufacturing Parameters Determining the Residual Stress State in LPBF IN718 Small Parts N2 - The influence of scan strategy on the residual stress (RS) state of an as-built IN718 alloy produced by means of laser powder bed fusion (LPBF) is investigated. Two scan vector rotations (90°-alternation and 67°-rotation), each produced following two different scan vector lengths (long and short), are used to manufacture four rectangular prisms. Neutron diffraction (ND) and laboratory X-ray diffraction (XRD) techniques are used to map the bulk and surface RS state, respectively. The distortion induced upon removal from the baseplate is measured via profilometry. XRD measurements show that the two long scan vector strategies lead to higher RS when compared with the equivalent short scan vector strategies. Also, the 67°-rotation strategies generate lower RS than their 90°-alternation counterparts. Due to the lack of reliable stress-free d0 references, the ND results are analyzed using von Mises stress. In general, ND results show significant RS spatial non-uniformity. A comparison between ND and distortion results indicates that the RS component parallel to the building direction (Z-axis) has a predominant role in the Z-displacement. The use of a stress balance scheme allows to discuss the d0 variability along the length of the specimens, as well as examine the absolute RS state. KW - As-built LPBF IN718 alloy KW - Scan strategy influence KW - Neutron diffraction KW - Residual stress state KW - Stress balance condition KW - Distortion PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-526360 DO - https://doi.org/10.1002/adem.202100158 VL - 23 IS - 7 SP - 158 PB - Wiley AN - OPUS4-52636 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ulbricht, Alexander A1 - Altenburg, Simon A1 - Sprengel, Maximilian A1 - Sommer, Konstantin A1 - Mohr, Gunther A1 - Fritsch, Tobias A1 - Mishurova, Tatiana A1 - Serrano-Munoz, Itziar A1 - Evans, Alexander A1 - Hofmann, M. A1 - Bruno, Giovanni T1 - Separation of the Formation Mechanisms of Residual Stresses in LPBF 316L N2 - Rapid cooling rates and steep temperature gradients are characteristic of additively manufactured parts and important factors for the residual stress formation. This study examined the influence of heat accumulation on the distribution of residual stress in two prisms produced by Laser Powder Bed Fusion (LPBF) of austenitic stainless steel 316L. The layers of the prisms were exposed using two different border fill scan strategies: one scanned from the centre to the perimeter and the other from the perimeter to the centre. The goal was to reveal the effect of different heat inputs on samples featuring the same solidification shrinkage. Residual stress was characterised in one plane perpendicular to the building direction at the mid height using Neutron and Lab X-ray diffraction. Thermography data obtained during the build process were analysed in order to correlate the cooling rates and apparent surface temperatures with the residual stress results. Optical microscopy and micro computed tomography were used to correlate defect populations with the residual stress distribution. The two scanning strategies led to residual stress distributions that were typical for additively manufactured components: compressive stresses in the bulk and tensile stresses at the surface. However, due to the different heat accumulation, the maximum residual stress levels differed. We concluded that solidification shrinkage plays a major role in determining the shape of the residual stress distribution, while the temperature gradient mechanism appears to determine the magnitude of peak residual stresses. KW - Additive Manufacturing KW - Laser Powder Bed Fusion KW - LPBF KW - AISI 316L KW - Online Process Monitoring KW - Thermography KW - Residual Stress KW - Neutron Diffraction KW - X-ray Diffraction KW - Computed Tomography PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-512903 DO - https://doi.org/10.3390/met10091234 VL - 10 IS - 9 PB - MDPI CY - Basel AN - OPUS4-51290 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Velencoso, M. M. A1 - Battig, Alexander A1 - Markwart, J. C. A1 - Schartel, Bernhard A1 - Wurm, F. R. T1 - Molecular firefighting – How modern phosphorus chemistry can help solve the challenge of flame retardancy N2 - The ubiquity of polymeric materials in daily life Comes with an increased fire risk, and sustained research into efficient flame retardants is key to ensuring the safety of the populace and material goods from accidental fires. Phosphorus, a versatile and effective element for use in flame retardants, has the potential to supersede the halogenated variants that are still widely used today: current formulations employ a variety of modes of action and methods of implementation, as additives or as reactants, to solve the task of developing flameretarding polymeric materials. Phosphorus-based flame retardants can act in both the gas and condensed phase during a fire. This Review investigates how current phosphorus chemistry helps in reducing the flammability of polymers, and addresses the future of sustainable, efficient, and safe phosphorus-based flame-retardants from renewable sources. KW - Flame retardant KW - Phosphorus KW - Halogen-free PY - 2018 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-457009 DO - https://doi.org/10.1002/anie.201711735 SN - 1433-7851 SN - 1521-3773 VL - 57 IS - 33 SP - 10450 EP - 10467 PB - Wiley VHC AN - OPUS4-45700 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Bruns, M. A1 - Raupach, M. A1 - Balzer, H. A1 - Gehlen, D. A1 - Noll, R. A1 - Wilsch, Gerd A1 - Taffe, Alexander ED - Susanne Gieler-Breßmer, T1 - Bildgebende Laseranalyse der Chlorid- und Sulfatverteilung in Beton T2 - 3. Kolloquium Verkehrsbauten - Schwerpunkt Parkhäuser/Brücken CY - Ostfildern, Deutschland DA - 2008-01-29 KW - LIBS KW - Beton KW - Alkali-Kieselsäure Reaktion KW - Tausalz KW - Ionen Transport PY - 2008 SN - 3-924813-72-8 IS - Tagungshandbuch 2008 SP - 1 EP - 6 AN - OPUS4-18654 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chan, George C.-Y. A1 - Hieftje, Gary M. A1 - Omenetto, Nicoló A1 - Axner, Ove A1 - Bengtson, Arne A1 - Bings, Nicolas H. A1 - Blades, Michael W. A1 - Bogaerts, Annemie A1 - Bolshov, Mikhail A. A1 - Broekaert, José A.C. A1 - Chan, WingTat A1 - Costa-Fernández, José M. A1 - Crouch, Stanley R. A1 - De Giacomo, Alessandro A1 - D’Ulivo, Alessandro A1 - Engelhard, Carsten A1 - Falk, Heinz A1 - Farnsworth, Paul B. A1 - Florek, Stefan A1 - Gamez, Gerardo A1 - Gornushkin, Igor B. A1 - Günther, Detlef A1 - Hahn, David W. A1 - Hang, Wei A1 - Hoffmann, Volker A1 - Jakubowski, Norbert A1 - Karanassios, Vassili A1 - Koppenaal, David W. A1 - Kenneth Marcus, R. A1 - Noll, Reinhard A1 - Olesik, John W. A1 - Palleschi, Vincenzo A1 - Panne, Ulrich A1 - Pisonero, Jorge A1 - Ray, Steven J. A1 - Resano, Martín A1 - Russo, Richard E. A1 - Scheeline, Alexander A1 - Smith, Benjamin W. A1 - Sturgeon, Ralph E. A1 - Todolí, José-Luis A1 - Tognoni, Elisabetta A1 - Vanhaecke, Frank A1 - Webb, Michael R. A1 - Winefordner, James D. A1 - Yang, Lu A1 - Yu, Jin A1 - Zhang, Zhanxia T1 - Landmark Publications in Analytical Atomic Spectrometry: Fundamentals and Instrumentation Development N2 - The almost-two-centuries history of spectrochemical analysis has generated a body of literature so vast that it has become nearly intractable for experts, much less for those wishing to enter the field. Authoritative, focused reviews help to address this problem but become so granular that the overall directions of the field are lost. This broader perspective can be provided partially by general overviews but then the thinking, experimental details, theoretical underpinnings and instrumental innovations of the original work must be sacrificed. In the present compilation, this dilemma is overcome by assembling the most impactful publications in the area of analytical atomic spectrometry. Each entry was proposed by at least one current expert in the field and supported by a narrative that justifies its inclusion. The entries were then assembled into a coherent sequence and returned to contributors for a round-robin review. KW - Analytical atomic spectrometry KW - Spectroscopy KW - Instrumental analysis PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-621588 DO - https://doi.org/10.1177/00037028241263567 SN - 1943-3530 VL - 78 SP - 1 EP - 456 PB - Sage CY - London AN - OPUS4-62158 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Markwart, J. C. A1 - Battig, Alexander A1 - Velencoso, M. M. A1 - Pollok, D. A1 - Schartel, Bernhard A1 - Wurm, F. R. T1 - Aromatic vs. Aliphatic Hyperbranched Polyphosphoesters as Flame Retardants in Epoxy Resins N2 - The current trend for future flame retardants (FRs) goes to novel efficient halogen-free materials, due to the ban of several halogenated FRs. Among the most promising alternatives are phosphorus-based FRs, and of those, polymeric materials with complex shape have been recently reported. Herein, we present novel halogen-free aromatic and aliphatic hyperbranched polyphosphoesters (hbPPEs), which were synthesized by olefin Metathesis polymerization and investigated them as a FR in epoxy resins. We compare their efficiency (aliphatic vs. aromatic) and further assess the differences between the monomeric compounds and the hbPPEs. The decomposition and vaporizing behavior of a compound is an important factor in its flame-retardant behavior, but also the interaction with the pyrolyzing matrix has a significant influence on the performance. Therefore, the challenge in designing a FR is to optimize the chemical structure and its decomposition pathway to the matrix, with regards to time and temperature. This behavior becomes obvious in this study, and explains the superior gas phase activity of the aliphatic FRs. KW - Phosphorus KW - Metathesis KW - Dendritic KW - Cone calorimeter KW - Fire test PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-494535 DO - https://doi.org/10.3390/molecules24213901 SN - 1420-3049 VL - 24 IS - 21 SP - 3901 PB - MDPI AN - OPUS4-49453 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ganose, Alex M. A1 - Sahasrabuddhe, Hrushikesh A1 - Asta, Mark A1 - Beck, Kevin A1 - Biswas, Tathagata A1 - Bonkowski, Alexander A1 - Bustamante, Joana A1 - Chen, Xin A1 - Chiang, Yuan A1 - Chrzan, Daryl C. A1 - Clary, Jacob A1 - Cohen, Orion A. A1 - Ertural, Christina A1 - Gallant, Max C. A1 - George, Janine A1 - Gerits, Sophie A1 - Goodall, Rhys E. A. A1 - Guha, Rishabh D. A1 - Hautier, Geoffroy A1 - Horton, Matthew A1 - Inizan, T. J. A1 - Kaplan, Aaron D. A1 - Kingsbury, Ryan S. A1 - Kuner, Matthew C. A1 - Li, Bryant A1 - Linn, Xavier A1 - McDermott, Matthew J. A1 - Mohanakrishnan, Rohith Srinivaas A1 - Naik, Aakash A. A1 - Neaton, Jeffrey B. A1 - Parmar, Shehan M. A1 - Persson, Kristin A. A1 - Petretto, Guido A1 - Purcell, Thomas A. R. A1 - Ricci, Francesco A1 - Rich, Benjamin A1 - Riebesell, Janosh A1 - Rignanese, Gian-Marco A1 - Rosen, Andrew S. A1 - Scheffler, Matthias A1 - Schmidt, Jonathan A1 - Shen, Jimmy-Xuan A1 - Sobolev, Andrei A1 - Sundararaman, Ravishankar A1 - Tezak, Cooper A1 - Trinquet, Victor A1 - Varley, Joel B. A1 - Vigil-Fowler, Derek A1 - Wang, Duo A1 - Waroquiers, David A1 - Wen, Mingjian A1 - Yang, Han A1 - Zheng, Hui A1 - Zheng, Jiongzhi A1 - Zhu, Zhuoying A1 - Jain, Anubhav T1 - Atomate2: Modular workflows for materials science N2 - High-throughput density functional theory (DFT) calculations have become a vital element of computational materials science, enabling materials screening, property database generation, and training of “universal” machine learning models. While several software frameworks have emerged to support these computational efforts, new developments such as machine learned force fields have increased demands for more flexible and programmable workflow solutions. This manuscript introduces atomate2, a comprehensive evolution of our original atomate framework, designed to address existing limitations in computational materials research infrastructure. Key features include the support for multiple electronic structure packages and interoperability between them, along with generalizable workflows that can be written in an abstract form irrespective of the DFT package or machine learning force field used within them. Our hope is that atomate2's improved usability and extensibility can reduce technical barriers for high-throughput research workflows and facilitate the rapid adoption of emerging methods in computational material science. KW - Automation KW - Materials design KW - DFT workflows KW - Phonons KW - Thermal conductivity KW - Bonding analysis PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-635759 DO - https://doi.org/10.1039/d5dd00019j SN - 2635-098X SP - 1 EP - 30 PB - Royal Society of Chemistry (RSC) CY - Cambridge AN - OPUS4-63575 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Ganose, Alex M. A1 - Sahasrabuddhe, Hrushikesh A1 - Asta, Mark A1 - Beck, Kevin A1 - Biswas, Tathagata A1 - Bonkowski, Alexander A1 - Bustamante, Joana A1 - Chen, Xin A1 - Chiang, Yuan A1 - Chrzan, Daryl C. A1 - Clary, Jacob A1 - Cohen, Orion A. A1 - Ertural, Christina A1 - Gallant, Max C. A1 - George, Janine A1 - Gerits, Sophie A1 - Goodall, Rhys E. A. A1 - Guha, Rishabh D. A1 - Hautier, Geoffroy A1 - Horton, Matthew A1 - Inizan, T. J. A1 - Kaplan, Aaron D. A1 - Kingsbury, Ryan S. A1 - Kuner, Matthew C. A1 - Li, Bryant A1 - Linn, Xavier A1 - McDermott, Matthew J. A1 - Mohanakrishnan, Rohith Srinivaas A1 - Naik, Aakash A. A1 - Neaton, Jeffrey B. A1 - Parmar, Shehan M. A1 - Persson, Kristin A. A1 - Petretto, Guido A1 - Purcell, Thomas A. R. A1 - Ricci, Francesco A1 - Rich, Benjamin A1 - Riebesell, Janosh A1 - Rignanese, Gian-Marco A1 - Rosen, Andrew S. A1 - Scheffler, Matthias A1 - Schmidt, Jonathan A1 - Shen, Jimmy-Xuan A1 - Sobolev, Andrei A1 - Sundararaman, Ravishankar A1 - Tezak, Cooper A1 - Trinquet, Victor A1 - Varley, Joel B. A1 - Vigil-Fowler, Derek A1 - Wang, Duo A1 - Waroquiers, David A1 - Wen, Mingjian A1 - Yang, Han A1 - Zheng, Hui A1 - Zheng, Jiongzhi A1 - Zhu, Zhuoying A1 - Jain, Anubhav T1 - Correction: Atomate2: Modular workflows for materials science N2 - Correction for “Atomate2: modular workflows for materials science” by Alex M. Ganose et al., Digital Discovery, 2025, 4, 1944–1973, https://doi.org/10.1039/D5DD00019J. PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640297 DO - https://doi.org/10.1039/d5dd90036k SN - 2635-098X SP - 1 EP - 2 PB - Royal Society of Chemistry (RSC) CY - Cambridge AN - OPUS4-64029 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Krautz, M. A1 - Beyer, L. A1 - Funk, Alexander A1 - Waske, Anja A1 - Weise, B. A1 - Freudenberger, J. A1 - Gottschall, T. T1 - Predicting the dominating factors during heat transfer in magnetocaloric composite wires N2 - Magnetocaloric composite wires have been studied by pulsed-field measurements up to μ0ΔH = 10 T with a typical rise time of 13 ms in order to evaluate the evolution of the adiabatic temperature change of the core, ΔTad, and to determine the effective temperature change at the surrounding steel jacket, ΔTeff, during the field pulse. An inverse thermal hysteresis is observed for ΔTad due to the delayed thermal transfer. By numerical simulations of application-relevant sinusoidal magnetic field profiles, it can be stated that for field-frequencies of up to two field cycles per second heat can be efficiently transferred from the core to the outside of the jacket. In addition, intense numerical simulations of the temperature change of the core and jacket were performed by varying different parameters, such as frequency, heat capacity, thermal conductivity and interface resistance in order to shed light on their impact on ΔTeff at the outside of the jacket in comparison to ΔTad provided by the core. KW - Composite KW - Heat transfer KW - Numerical simulation KW - Pulsed magnetic field PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-513791 DO - https://doi.org/10.1016/j.matdes.2020.108832 VL - 193 SP - 108832 PB - Elsevier Ltd. AN - OPUS4-51379 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Battig, Alexander A1 - Sanchez-Olivares, G. A1 - Rockel, Daniel A1 - Maldonado-Santoyo, M. A1 - Schartel, Bernhard T1 - Waste not, want not: The use of leather waste in flame retarded EVA N2 - Leather is among the most ancient, widely used materials worldwide. Industrial-scale leather production produces large quantities of organic waste attained during shaving and buffing steps during processing. In this study, leather wastes (LW) are used as fillers in flame retarded polymer composites. LW is investigated as a multifunctional bio-filler that enhances the fire performance of flame retarded poly(ethylene–vinyl acetate) (EVA) containing phosphorus flame retardants (P-FRs) ammonium polyphosphate (APP) or a melamine-encapsulated APP (eAPP). Using LW from tanneries as adjuvants to enhance P-FRs in EVA reduces industrial wastes that otherwise require costly waste management solutions. Materials are characterized multi-methodically via mechanical tests, electron microscopy, rheology, thermogravimetric analysis, evolved gas analysis, and condensed phase FTIR, also reaction-to-small-flames and cone calorimeter tests. EVA containing 10 wt-% LW and 20 wt-% P-FRs achieve 20% reductions in fire loads versus EVA, and up to 10% reduction in effective heats of combustion versus EVA with equal (30 wt-%) P-FR loadings. Enhanced char stabilization of EVA composites with LW and P-FRs lowered peaks of heat release rates up to 53% compared to EVA, and up to 40% compared to equal P-FRs loadings. Synergisms between LW and P-FRs in EVA are quantified. A chemical decomposition mechanism is proposed. KW - Leather waste KW - Tannery industry KW - EVA KW - Fire protection KW - Flame retardancy KW - Charring PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-532977 DO - https://doi.org/10.1016/j.matdes.2021.110100 SN - 0264-1275 VL - 210 SP - 1 EP - 16 PB - Elsevier CY - Amsterdam AN - OPUS4-53297 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ecke, Alexander A1 - Westphalen, Tanja A1 - Hornung, J. A1 - Voetz, M. A1 - Schneider, Rudolf T1 - A rapid magnetic bead-based immunoassay for sensitive determination of diclofenac N2 - Increasing contamination of environmental waters with pharmaceuticals represents an emerging threat for the drinking water quality and safety. In this regard, fast and reliable analytical methods are required to allow quick countermeasures in case of contamination. Here, we report the development of a magnetic bead-based immunoassay (MBBA) for the fast and cost-effective determination of the analgesic diclofenac (DCF) in water samples, based on diclofenac-coupled magnetic beads and a robust monoclonal anti-DCF antibody. A novel synthetic strategy for preparation of the beads resulted in an assay that enabled for the determination of diclofenac with a significantly lower limit of detection (400 ng/L) than the respective enzyme-linked immunosorbent assay (ELISA). With shorter incubation times and only one manual washing step required, the assay demands for remarkably shorter time to result (< 45 min) and less equipment than ELISA. Evaluation of assay precision and accuracy with a series of spiked water samples yielded results with low to moderate intra- and inter-assay variations and in good agreement with LC–MS/MS reference analysis. The assay principle can be transferred to other, e.g., microfluidic, formats, as well as applied to other analytes and may replace ELISA as the standard immunochemical method. KW - Immunoassay KW - Magnetic beads KW - Diclofenac KW - Water analysis KW - LC-MS/MS PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-542346 DO - https://doi.org/10.1007/s00216-021-03778-7 SN - 1618-2650 VL - 414 SP - 1563 EP - 1573 PB - Springer CY - Heidelberg AN - OPUS4-54234 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Jablonka, Kevin Maik A1 - Ai, Qianxiang A1 - Al-Feghali, Alexander A1 - Badhwar, Shruti A1 - Bocarsly, Joshua D. A1 - Bran, Andres M. A1 - Bringuier, Stefan A1 - Brinson, L. Catherine A1 - Choudhary, Kamal A1 - Circi, Defne A1 - Cox, Sam A1 - de Jong, Wibe A. A1 - Evans, Matthew L. A1 - Gastellu, Nicolas A1 - Genzling, Jerome A1 - Gil, María Victoria A1 - Gupta, Ankur K. A1 - Hong, Zhi A1 - Imran, Alishba A1 - Kruschwitz, Sabine A1 - Labarre, Anne A1 - Lála, Jakub A1 - Liu, Tao A1 - Ma, Steven A1 - Majumdar, Sauradeep A1 - Merz, Garrett W. A1 - Moitessier, Nicolas A1 - Moubarak, Elias A1 - Mouriño, Beatriz A1 - Pelkie, Brenden A1 - Pieler, Michael A1 - Ramos, Mayk Caldas A1 - Ranković, Bojana A1 - Rodriques, Samuel G. A1 - Sanders, Jacob N. A1 - Schwaller, Philippe A1 - Schwarting, Marcus A1 - Shi, Jiale A1 - Smit, Berend A1 - Smith, Ben E. A1 - Van Herck, Joren A1 - Völker, Christoph A1 - Ward, Logan A1 - Warren, Sean A1 - Weiser, Benjamin A1 - Zhang, Sylvester A1 - Zhang, Xiaoqi A1 - Zia, Ghezal Ahmad Jan A1 - Scourtas, Aristana A1 - Schmidt, K. J. A1 - Foster, Ian A1 - White, Andrew D. A1 - Blaiszik, Ben T1 - 14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon N2 - Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To explore these possibilities, we organized a hackathon. This article chronicles the projects built as part of this hackathon. Participants employed LLMs for various applications, including predicting properties of molecules and materials, designing novel interfaces for tools, extracting knowledge from unstructured data, and developing new educational applications. The diverse topics and the fact that working prototypes could be generated in less than two days highlight that LLMs will profoundly impact the future of our fields. The rich collection of ideas and projects also indicates that the applications of LLMs are not limited to materials science and chemistry but offer potential benefits to a wide range of scientific disciplines. KW - Large Language model KW - Hackathon KW - Concrete KW - Prediction KW - Inverse Design KW - Orchestration PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589961 DO - https://doi.org/10.1039/d3dd00113j VL - 2 IS - 5 SP - 1233 EP - 1250 PB - Royal Society of Chemistry (RSC) AN - OPUS4-58996 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sanchez Olivares, G. A1 - Battig, Alexander A1 - Goller, Sebastian M. A1 - Rockel, Daniel A1 - Ramirez Gonzáles, V. A1 - Schartel, Bernhard T1 - Imparting Fire Retardancy and Smoke Suppression to Leather during Tanning Processes N2 - Leather is considered a luxury good when used in seating and upholstery. To improve safety, flame retardancy in leather is usually achieved through various finishing processes such as spray or roller coating. These treatments require processing steps that cost time and are laborintensive. One avenue to achieving flame retardancy in leather is to add flame retardants during the tanning process. However, the influence on flame retardancy exerted by specific intumescent additives specifically added during leather tanning has yet to be investigated. This work explores the roles played by intumescent additive compounds in flame retarding leather when they are added during tanning instead of applied as a coating. Via a systematic investigation of various compound mixtures, the flame retardant effects in the condensed and the gas phases are elucidated. The results show a strong impact of melamine in the gas phase and of polyphosphates in the condensed phase. Their impact was quantified in fire and smoke analysis, showing a 14% reduction in the peak of heat release rate, strongly reduced burning lengths, and a 20% reduction in total smoke release compared to nontreated leather. These results illuminate the key role played by specific compounds in the flame retardancy of leather, particularly when they are added specifically during the tanning process instead of being applied as a coating. This method has great potential to reduce processing steps, lower costs, and improve material safety. KW - Leather KW - Fire protection KW - Intumescent additives KW - Smoke suppression PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-564777 DO - https://doi.org/10.1021/acsomega.2c05633 SN - 2470-1343 VL - 7 IS - 48 SP - 44156 EP - 44169 PB - ACS AN - OPUS4-56477 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Molnarne, M. A1 - Seifert, Alexander A1 - Schröder, Volkmar T1 - Explosion protection according to the EU directives using the data from CHEMSAFE database N2 - For international trade and production of machinery used in potentially explosive atmospheres it is important to know about the regulations within the European Union. This paper presents an application of CHEMSAFE flammability data for fulfilling the requirements of the EU explosion protection directives. Most of the published data for flammability of substances are measured under atmospheric conditions although chemical processes operate often under non-atmospheric conditions. A couple of R&D projects were initiated in Germany to get more knowledge on explosion characteristics for non-atmospheric conditions. The explosion protection for machinery operated under non-atmospheric conditions is defined in the 2006/42/EU Directive. CHEMSAFE fulfills this requirement while it contains data of flammable compounds measured under non-atmospheric conditions and with other oxidizers than air. Furthermore it includes flammability data for gas mixtures consisting of flammable, inert, and different oxidizing components and most of the data are measured according to international standards. Safety data on flammable dusts - such as minimum ignition energy, maximum explosion pressure, ignition temperatures - represents also an important part of the database. The potentially explosive atmospheres are defined in revised Directive 2014/34/EU. For preparing risk assessment documents the following data for flammable gases and vapors, relating to the use of equipment, among others are necessary: Flammability limit, flash point, temperature class - auto-ignition temperature, maximum experimental safe gap. CHEMSAFE'2013 includes not only these data but also more than 200 triangular explosion diagrams, e.g. the newly measured methane/nitrogen/oxygen system under pressures up to 50 bars. The international standard Draft of IEC 80079-1-1 publishes data tables for flammable substances originated from CHEMSAFE which represents the international acceptance of these data. KW - Flammability limits KW - Gas and dust explosion KW - Explosion protection KW - Safety characteristics KW - Technical regulations KW - Safety data KW - CHEMSAFE database PY - 2014 DO - https://doi.org/10.1016/j.proeng.2014.10.432 SN - 1877-7058 VL - 84 SP - 247 EP - 258 PB - Elsevier CY - Amsterdam [u.a.] AN - OPUS4-32086 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Krietsch, Arne A1 - Kwangvitayanon, Yolada A1 - Schmidt, Martin A1 - Klippel, Alexander A1 - Schröder, Volkmar A1 - Scheid, M. T1 - Validation of the new ignition source 'exploding wire' for dust explosion testing in the 20-L-sphere N2 - The safety characteristics Maximum Explosion Pressure pniB, Maximum Explosion Pressure Rise (dp/dt)™* and Lower Explosion Limit LEL are determined in closed vessels such as the 20-L-sphere according to international Standards. Dust ignition is carried out using pyrotechnical igniters which are defined in the Standards. Due to various disadvantages of pyrotechnical igniters the need for alternative ignition sources arises again and again. Studies at the Federal Institute for Material Research and Testing (BAM) with ignition units which were able to generate ignition energies up to 2000 J showed that the so-called “exploding wire” or “fuse wire“ is suitable as an alternative ignition source. The paper presents further test results for the Validation of the exploding wire for the determination of Pm» and (dp/dt)mx in the 20-L-sphere. The tests were performed with a new ignition unit and improved electrodes which allowed ignition energies up to 10000 J. The paper also analyses propagation of flame and electrical arc on basis of high speed camera recordings. Turbulence measurements with a LDA System in the 20-L-sphere allowed investigation whether the activation of the ignition sources has an influence on the turbulence field generated during dust dispersion and whether the influence differs depending on the ignition source. T2 - Hazards 24 Symposium CY - Edinburgh, UK DA - 07.05.2014 KW - Dust explosion testing KW - Exploding wire KW - Explosion characteristics KW - Ignition source PY - 2014 SN - 978-0-85295-582-6 N1 - Serientitel: IChemE Symposium Series – Series title: IChemE Symposium Series VL - 159 SP - 1 EP - 7 AN - OPUS4-31145 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Taffe, Alexander A1 - Wiggenhauser, Herbert A1 - Raupach, M. T1 - Validierung zerstörungsfreier Prüfverfahren im Bauwesen N2 - Die Validierung dient bereits in vielen Bereichen der Technik zum Nachweis, ob mit einem Verfahren Kundenanforderungen erfüllt werden können. Da gerade die im Bauwesen verwendeten zerstörungsfreien Prüfverfahren bis auf den Rückprallhammer nicht in einer deutschen Norm geregelt sind, kann die Validierung zur verbesserten Anwendungssicherheit nicht genormter Verfahren beitragen. Die Leistungsfähigkeit des Verfahrens wird für den Kunden transparent, so dass er die Güte der Messergebnisse einschätzen kann. Das ist besonders dann von Bedeutung, wenn aus dem Messergebnis eine belastbare Aussage abgeleitet werden soll und hohe Anforderungen bezüglich der Messgenauigkeit bestehen. So entsteht z. B. die Frage, welche Bauteildicke nach zerstörungsfreien Untersuchungen für eine statische Nachrechnung auf einem bestimmten Vertrauensniveau angesetzt werden kann oder mit welcher Sicherheit Pfahlgründungen, deren Länge ebenfalls zerstörungsfrei bestimmt wurde, in eine tragende Schicht einbinden. In dem Beitrag werden die Grundzüge der Durchführung einer Validierung beschrieben und am Beispiel der Dickenmessung an Fundamenten erläutert. Die beschriebene Vorgehensweise kann prinzipiell auf eine Vielzahl im Bauwesen auftretender Prüfaufgaben angewandt werden. Sind die Anforderungen an die Prüfaufgabe bezüglich der Genauigkeit nicht so hoch, können vereinfachte Abschätzungen der Messunsicherheit vorgenommen werden. KW - Zerstörungsfreie Prüfung im Bauwesen KW - Validierung KW - Messunsicherheit KW - Zuverlässigkeit KW - Ultraschallecho PY - 2008 DO - https://doi.org/10.1002/best.200800649 SN - 0005-9900 SN - 1437-1006 VL - 103 IS - 12 SP - 828 EP - 836 PB - Ernst CY - Berlin AN - OPUS4-18603 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dietrich, Paul A1 - Horlacher, T. A1 - Gross, Thomas A1 - Wirth, Thomas A1 - Castelli, R. A1 - Shard, A.G. A1 - Alexander, M. A1 - Seeberger, P. H. A1 - Unger, Wolfgang T1 - Surface analytical characterization of carbohydrate microarrays N2 - Microarrays are a versatile platform for diagnostics and high-throughput analysis. Carbohydrate microarrays are valuable tools to investigate interactions with other molecules since many glycans are involved in fundamental biological processes. A combined X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS) surface analysis was used to investigate the basic steps in the production of carbohydrate microarrays. The preparation included coupling of a thiol-terminated mannoside to maleimide-functionalized glass surfaces derived from γ-aminopropyl silane (GAPS) slides. XPS results clearly demonstrate successful chemical modification in each fabrication step, and ToF-SIMS imaging revealed immobilized carbohydrates in the spotted regions of the final microarray. KW - Carbohydrates KW - Microarrays KW - XPS KW - ToF-SIMS KW - Nona-mannoside KW - Maleimide surfaces KW - Surface analysis PY - 2010 DO - https://doi.org/10.1002/sia.3255 SN - 0142-2421 SN - 1096-9918 VL - 42 SP - 1188 EP - 1192 PB - Wiley CY - Chichester AN - OPUS4-21500 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Taffe, Alexander A1 - Pohl, M. A1 - Roeser, W. A1 - Schwamborn, B. A1 - Schoßmann, A. T1 - Varianten bei der Instandsetzung eines Abwasserbauwerks mit Schäden durch Schwefelsäure und neue Verfahren zur Qualitätssicherung N2 - Eine bedarfsgerechte Instandsetzung umfasst nach Zustandsermittlung und Schadensdiagnose die Aufstellung eines Instandsetzungskonzepts sowie eine wirkungsvolle Qualitätssicherung auf der Baustelle. Dadurch wird u. a. deutlich, ob die getroffenen Annahmen z. B. hinsichtlich des erforderlichen Betonabtrags zutreffen. Darüber hinaus wird sichergestellt, dass die Instandsetzung durch das ausführende Unternehmen unter Beachtung aller technischen Erfordernisse ausgeführt wird. Neben klassischen Methoden wie der visuellen Bestandsaufnahme und der Ermittlung der Oberflächenzugfestigkeit wird in diesem Beitrag mit der LIBS-Technologie (Laser-induzierte Breakdown Spektroskopie) ein ergänzendes Verfahren zur Qualitätssicherung vorgestellt, für das zwischenzeitlich ein Baustellengerät entwickelt wurde. Die Instandsetzung samt Qualitätssicherung wird am Beispiel eines Schneckenpumpwerks auf der Kläranlage Düren vorgestellt. Sie wurde bereits vor zwei Jahren in diesem Heft hinsichtlich der Schadensdiagnose mit LIBS beschrieben. Die Instandsetzung erfolgte mit vier verschiedenen Instandsetzungssystemen, deren Wirksamkeit zusätzlich durch neu entwickelte Korrosionssensoren dauerhaft überwacht wird. Dadurch sollen messtechnisch belegte Erfahrungen zur Eignung bzw. zu den Einsatzgrenzen verschiedener Instandsetzungssysteme bei näherungsweise identischer Beanspruchung gewonnen werden. Darüber hinaus wurde aus Betreibersicht ein Instandhaltungskonzept erarbeitet, das Planung, Inspektion, Untersuchung und Schadensdiagnose zurAufstellung bedarfsgerechter Instandsetzungskonzepte zusammen mit Qualitätssicherung bei der Ausführung berücksichtigt. KW - Zerstörungsfreie Prüfung im Bauwesen KW - Diogener Schwefelsäureangriff KW - Betonkorrosion KW - Betoninstandsetzung KW - Kläranlagen KW - Schadensdiagnose PY - 2009 DO - https://doi.org/10.1002/best.200900053 SN - 0005-9900 SN - 1437-1006 VL - 104 IS - 11 SP - 773 EP - 781 PB - Ernst CY - Berlin AN - OPUS4-20459 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - RPRT A1 - von Oertzen, Alexander A1 - Myatt, S. A1 - Chapman, D. A1 - Webb, R. A1 - v. Rooijen, M. P. A1 - Colpa, W. A1 - de Jong, E.G. A1 - de Ruiter, J. T1 - CHAF Workpackage 4 Report - Literature review of fireworks compositions, propagation mechanisms, storage legislation and environmental effects N2 - This report is a literature review of the current state of knowledge of fireworks and fireworks hazards. It presents work to meet Deliverables D4-1 (types and compositions of fireworks Articles), D4-2 (Functioning mechanism of and between fireworks articles), D4-3 (Storage and transport regulations in EU countries) and D4-4 (The effect of fireworks on health and the environment) of the CHAF work program. Firework compositions are discussed in the first section. This leads to an understanding of the variability in performance of various types of fireworks. Compositions used in report effects are highlighted as being the most energetic while other compositions are seen as providing a much lesser hazard in mass storage of fireworks. Individual types of firework are examined. Large devices such as report shells are identified as posing the largest hazard in bulk storage. Lesser, but still significant, hazards are predicted for similar compositions in Roman candles and rockets. Gradations in hazard are identified corresponding to UN hazard divisions 1.1, 1.3 and 1.4. The second section reports the literature relating to the functioning mechanism of and between fireworks articles. In this the major propagation mechanisms for fireworks compositions are examined. The main stimuli identified are: fragment impact, heat and shock wave, each of which can lead to the functioning of pyrotechnic composition in the article or in an adjacent article leading to large-scale initiation. Consideration of the pyrotechnic compositions leads to a different ranking for the three mechanisms with different fireworks types. Thus with a report composition containing a metal/perchlorate mixture shock initiation is seen to be the main propagation mechanism. Such a mechanism is likely to afford a mass explosion. At a lesser hazard, blackpowder-based compositions are reported to be more likely to propagate via a flame mechanism. This is less likely to produce a mass explosion. National legislation concerning the storage of fireworks for many European countries is considered in the third section. Many of the national regulations are based on a cube root of explosives content to determine "safety distances", often written as Q1/3. Different multiplying factors are then applied depending on the type of adjacent site (production buildings, residential housing, roads etc.). Commonly 22Q1/3 is used for residential dwellings. Special provisions are enacted in many countries either to allow lesser distances or in some cases to increase the safety distances depending on the perceived hazard or extenuating circumstances. The final section deals with the environmental hazards posed by the use of fireworks. Toxic effects of the materials used in the manufacture and the likely reaction products from functioning fireworks are highlighted. These range from heavy metal poisoning from metals present for their colour effect to respiratory problems due to pyrotechnic fume (both particulate and gaseous). Finally, noise pollution is considered. While there is a short term problem from pyrotechnic fume at times of high usage (national celebrations) there is no literature evidence, as yet, of long term detriment to the environment. PY - 2003 UR - http://www.pyrobin.com/files/european%20firework%20testing%20reports,%20bam%20etc.pdf IS - EVG1-CT-2002-00074 CHAF SP - 1 EP - 104 PB - HSE - Health and Safety Executive CY - Sheffield, UK AN - OPUS4-2594 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Link, T. A1 - Epishin, Alexander A1 - Klaus, M. A1 - Brückner, Udo A1 - Reznicek, A. T1 - (100) Dislocations in nickel-base superalloys: Formation and role in creep deformation N2 - α(1 0 0) Dislocations are observed in nickel-base superalloys after creep deformation at high temperatures and low stresses. They are formed in the γ/γ´ interfaces by a three step mechanism. First, primary dislocations with Burgers vector α/2(1 0 1) and 60° character are left behind in the interfaces when dislocation loops glide through the γ channels. The 60° dislocations move into edge orientation and react forming secondary dislocations α/2(1 1 0). In the third step, new primary dislocations are knit into the already existing meshes of primary and secondary dislocations, which results in hexagonal misfit dislocation networks consisting of secondary dislocations α/2(1 1 0) and tertiary dislocations α(1 0 0), both of edge type. This self-organisation process is explained by dislocation theory and crystallography. Creep deformation accelerates when the α(1 0 0) interfacial dislocations enter the γ´ phase. During their climb towards the opposite interface, they attain a characteristic rectangular shape. This shape and the importance of the α(1 0 0) super dislocations for creep deformation are discussed. KW - Superalloys KW - Creep KW - Dislocation reactions KW - Dislocation theory KW - Deformation mechanisms PY - 2005 SN - 0921-5093 SN - 1873-4936 VL - 405 IS - 1-2 SP - 254 EP - 265 PB - Elsevier CY - Amsterdam AN - OPUS4-11968 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - von Oertzen, Alexander A1 - Schreck, Andreas A1 - Myatt, S. A1 - Davies, M. T1 - Deliverable D6-3, Results from two sets of UN tests done to national methods / Deliverable D6-4, Guidance and recommendations for other WPs PY - 2004 SP - 1(?) EP - 129(?) AN - OPUS4-14409 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Alymov, M. I. A1 - Epishin, Alexander A1 - Nolze, Gert A1 - Link, T. A1 - Bedov, S. A1 - Ankudinov, A. B. T1 - Electron microscopy investigation of the structure of a compact extruded from nanopowder of nickel KW - EBSD KW - SAED KW - TEM KW - SEM KW - Extrusion KW - Nano-technology PY - 2007 SN - 1816-5230 VL - 2 IS - 3-4 SP - 124 EP - 129 PB - Akademperiodyka CY - Kyïv AN - OPUS4-14845 LA - rus AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Taffe, Alexander A1 - Pohl, M. A1 - Roeser, W. A1 - Schwamborn, B. T1 - Betonkorrosion durch Schwefelsäure an Abwasserbauwerken - Innovative Schadensdiagnose KW - Schadensdiagnose KW - Betonkorrosion KW - Kläranlagen KW - Biogene Schwefelsäure KW - Laser-induzierte breakdown Spektroskopie KW - LIBS KW - ZfPBau PY - 2007 DO - https://doi.org/10.1002/best.200700574 SN - 0005-9900 SN - 1437-1006 VL - 102 IS - 10 SP - 691 EP - 698 PB - Ernst CY - Berlin AN - OPUS4-15888 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kadenkin, Alexander A1 - Amberger, M. A1 - Fittschen, U.E.A. A1 - Broekaert, J.A.C. T1 - Micro-homogeneity studies of boron carbide powders N2 - We have studied the micro-homogeneity of boron carbide powders by inductively coupled Plasma optical emission spectrometry (ICP-OES) and total reflection X-ray fluorescence spectrometry (TXRF) using slurry sampling. To get information on the particle size distributions of the powders, the stabilized slurries of boron Carbide powders were nebulized, the aerosols were transported into a Batelle impactor and the droplets were collected on the impactor stages bearing TXRF sample holders. In a first series of measurements, parameters of the impaction like the duration of the impaction and the use of glutinous substance on the sample holders were optimized. The different mass size fractions for industrial boron Carbide powders were determined by weight measurements of the fractions collected on the different stages. The established particle size distributions were in the range of 0.5 to >16 µm and found similar to those determined by laser diffraction reported elsewhere. Analyses of the mass fractions by slurry sampling TXRF showed that Ca, Ti, Cr, Mn, Fe, Ni and Cu within the measurements errors were homogeneously distributed over the mass fractions between 0.5 and 4 µm and that their concentrations agreed with the bulk composition, as determined with ICP-OES subsequent to digestion. However, light underestimates were found at the 5 (Mn) up to 150 µg g-1 (Fe) level. Finally, boron carbide powders were washed out with nitric acid with different concentrations and leaching solutions and the residues were analyzed by ICP-OES and TXRF respectively. It is shown that up to 60% of the residual trace impurities in the powder studied can be removed by leaching with 34% (v/v) of nitric acid. KW - Boron carbide KW - Micro-homogeneity KW - ICP-OES KW - TXRF KW - Impaction PY - 2011 DO - https://doi.org/10.1007/s00604-011-0546-y SN - 0026-3672 SN - 1436-5073 VL - 173 IS - 1-2 SP - 183 EP - 188 PB - Springer CY - Wien AN - OPUS4-24161 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Alexander, I. A1 - Braun, H.-J. A1 - Dettmann, T. A1 - Fimmen, H. A1 - Haberkamp, H. A1 - Katz, H. A1 - Krischok, Frank A1 - Otremba, Frank A1 - Pötzsch, Klaus-Michael A1 - Zentgraf, R. A1 - Putzschke, M. T1 - Bericht über den Ablauf und die Ursachen der Havarie des Tankmotorschiffes 'Waldhof' am 13. Januar 2011 auf dem Mittelrhein (Rhein-km 553,75) KW - Schiffshavarie KW - Gefahrgut-Tankschiff KW - Schwimmstabilität PY - 2013 IS - S-312.4/016 SP - 1 EP - 224 AN - OPUS4-27729 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Eschlböck-Fuchs, S. A1 - Huber, N. A1 - Ahamer, C. M. A1 - Hechenberger, J. G. A1 - Kolmhofer, P. J. A1 - Heitz, J. A1 - Rössler, R. A1 - Demidov, Alexander A1 - Schmid, Thomas A1 - Gornushkin, Igor B. A1 - Panne, Ulrich A1 - Pedarnig, J. D. T1 - Application of laser-induced breakdown spectroscopy for the analysis of slags in industrial steel production N2 - Laser-induced breakdown spectroscopy (LIBS) is a fast and versatile technique for (semi) quantitative element analysis of solids, liquids, gases, and particulate matter. The LIBS method is used for optical sensing in various branches of industrial production. In the contribution we review some of our recent results on LIBS analysis of slags from secondary metallurgy in industrial steel making. Major oxides in steel slags are measured at-line and after homogenization using a calibration-free (CF) method. Two approaches for CF analysis based on the Boltzmann plot method and on the calculation of synthetic spectra are compared for the analysis of quaternary oxides. We also present the research in cooperation with our industrial partners in the process-analytical chemistry network PAC. T2 - 11. Kolloquium Arbeitskreis Prozessanalytik CY - Vienna, Austria DA - 30.11.2015 KW - Laser-induced breakdown spectroscopy (LIBS) KW - Process analytical technology KW - Steel slag PY - 2015 PB - Plandruck+ Gesellschaft m.b.H. CY - Wien AN - OPUS4-39005 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Krappe, Alexander R. A1 - Mayer, Jacob C. A1 - Zhang, Wuai A1 - Filla, Lina M. A1 - Ligorio, Giovanni A1 - Hermerschmidt, Felix A1 - Eitelhuber, Larissa S. A1 - Güttler, Arne A1 - Weber, Manuela A1 - Paulus, Beate A1 - Resch-Genger, Ute A1 - List-Kratochvil, Emil J.W. A1 - Eigler, Siegfried T1 - Highly Emissive Hexa-peri-benzocoronene-fluoranthene Hybrid as Easily Processable and Stable OLED Material N2 - We report the synthesis of a fluorescent polycyclic aromatic hydrocarbon dye with a “symmetry-broken” core, derived from the related hexa-peri-benzocoronene (HBC) core with fluoranthene subunit. The fluorophore is composed of a pure Carbon skeleton without heteroatoms and exhibits remarkable photo luminescence properties with a photoluminescence Quantum yield (PLQY) of up to 67% in toluene, exceeding that of theparent HBC by a factor of 30. The single crystal X-ray structure reveals the distorted polycyclic aromatic hydrocarbon structure, which is responsible for the optoelectronic properties, as supported by density functional theory calculations. We show that the new fluorescent dye can be readily used for the fabrication of organic light-emitting diodes (OLED) without extensive optimization, whereby solubility in a variety of solvents and successful film formation are decisive. KW - Quantum Yield KW - OLED KW - Fluorescence KW - Synthesis PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-631298 DO - https://doi.org/10.1002/chem.202500742 SN - 1521-3765 SP - 1 EP - 7 PB - John Wiley & Sons, Inc AN - OPUS4-63129 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Braga, Daniel S. A1 - Pedersen, Angus A1 - Riyaz, Mohd A1 - Barrio, Jesús A1 - Bagger, Alexander A1 - Neckel, Itamar T. A1 - Mariano, Thiago M. A1 - Winkler, Manuel E. G. A1 - Stephens, Ifan E. L. A1 - Titirici, Maria‐Magdalena A1 - Nagao, Raphael T1 - Inside back cover image for the article "In situ structural evolution and activity descriptor of atomically dispersed catalysts during nitrate electroreduction" N2 - This cover illustrates the electrosynthesis of ammonia through the reduction of nitrate ions on metallic clusters formed from single atom catalysts. The artwork highlights the catalytic interface where molecular transformations occur, linking nanoscale reactions to sustainable fertilizer production. By converting pollutants into value-added products, this work envisions a green pathway toward circular nitrogen management and enhanced agricultural sustainability. More details can be found in the Research Article (DOI: 10.1002/advs.202510282) by Maria-Magdalena Titirici, Raphael Nagao, and co-workers. KW - Single atom KW - Nitrate reduction KW - In situ KW - Structure-activity-selectivity PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652626 DO - https://doi.org/10.1002/advs.71951 SN - 2198-3844 VL - 12 IS - 39 SP - 1 PB - Wiley-VCH CY - Weinheim AN - OPUS4-65262 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zerbst, Uwe A1 - Bruno, Giovanni A1 - Buffière, J.-Y. A1 - Wegener, T. A1 - Niendorf, T. A1 - Wu, T. A1 - Zhang, X. A1 - Kashaev, N. A1 - Meneghetti, G. A1 - Hrabe, Nik A1 - Madia, Mauro A1 - Werner, Tiago A1 - Hilgenberg, Kai A1 - Koukolikova, M. A1 - Prochazka, R. A1 - Dzugan, J. A1 - Möller, B. A1 - Beretta, S. A1 - Evans, Alexander A1 - Wagener, R. A1 - Schnabel, K. T1 - Damage tolerant design of additively manufactured metallic components subjected to cyclic loading: State of the art and challenges N2 - This article is an outcome of a workshop on Fatigue of Additive Manufactured Metallic Components jointly organized by the Federal Institute for Materials Research and Testing (BAM) Berlin, Germany and the National Institute of Standards and Technology (NIST) Boulder, CO, U.S.A. The aim of the workshop was a comprehensive discussion of the specific aspects of additively manufactured (AM) components in regard to failure under cyclic loading. Undoubtedly, a better understanding and the further development of approaches for damage tolerant component design of AM parts are among the most significant challenges currently facing the use of these new technologies. This article presents a thorough overview of the workshop discussions. It aims to provide a review of the parameters affecting the damage tolerance of AM parts with special emphasis on the process parameters intrinsic to the AM technologies, the resulting defects and residual stresses. Based on these aspects, concepts for damage tolerant component design for AM are reviewed and critically discussed. KW - Additive manufacturing KW - Fatigue loading KW - Component assessment KW - Damage tolerance KW - Defects KW - Residual stresses PY - 2021 DO - https://doi.org/10.1016/j.pmatsci.2021.100786 SN - 0079-6425 VL - 121 PB - Elsevier CY - Amsterdam AN - OPUS4-51937 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mishurova, Tatiana A1 - Sydow, B. A1 - Thiede, Tobias A1 - Sizova, I. A1 - Ulbricht, Alexander A1 - Bambach, M. A1 - Bruno, Giovanni T1 - Residual Stress and Microstructure of a Ti-6Al-4V Wire Arc Additive Manufacturing Hybrid Demonstrator N2 - Wire Arc Additive Manufacturing (WAAM) features high deposition rates and, thus, allows production of large components that are relevant for aerospace applications. However, a lot of aerospace parts are currently produced by forging or machining alone to ensure fast production and to obtain good mechanical properties; the use of these conventional process routes causes high tooling and material costs. A hybrid approach (a combination of forging and WAAM) allows making production more efficient. In this fashion, further structural or functional features can be built in any direction without using additional tools for every part. By using a combination of forging basic geometries with one tool set and adding the functional features by means of WAAM, the tool costs and material waste can be reduced compared to either completely forged or machined parts. One of the factors influencing the structural integrity of additively manufactured parts are (high) residual stresses, generated during the build process. In this study, the triaxial residual stress profiles in a hybrid WAAM part are reported, as determined by neutron diffraction. The analysis is complemented by microstructural investigations, showing a gradient of microstructure (shape and size of grains) along the part height. The highest residual stresses were found in the transition Zone (between WAAM and forged part). The total stress range showed to be lower than expected for WAAM components. This could be explained by the thermal history of the component. KW - Additive manufacturing KW - Neutron diffraction KW - Residual stress KW - Hybrid manufacturing KW - WAAM KW - Ti-6Al-4V PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-508245 DO - https://doi.org/10.3390/met10060701 VL - 10 IS - 6 SP - 701 PB - MDPI AN - OPUS4-50824 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mishurova, Tatiana A1 - Artzt, K. A1 - Haubrich, J. A1 - Evsevleev, Sergei A1 - Evans, Alexander A1 - Meixner, M. A1 - Serrano-Munoz, Itziar A1 - Sevostianov, I. A1 - Requena, G. A1 - Bruno, Giovanni T1 - Connecting Diffraction-Based Strain with Macroscopic Stresses in Laser Powder Bed Fused Ti-6Al-4V N2 - The laser powder bed fusion (LPBF) production process often results in large residual stress (RS) in the parts. Nondestructive techniques to determine RS are badly needed. However, a reliable quantification of macro-RS (i.e., stress at the component level) by means of diffraction-based techniques is still a great challenge, because the link between diffraction-based strain and macro-RS is not trivial. In this study, we experimentally determine (by means of in-situ synchrotron radiation diffraction) this link for LPBF Ti-6Al-4V. We compare our results with commonly used models to determine the so-called diffraction elastic constants (DECs). We show that LPBF materials possess different DECs than wrought alloys, simply because their microstructural and mechanical properties are different. We also show that the existing models can be used to calculate DECs only if high accuracy of the RS values is not required. If the peculiarities of the microstructure have to be taken into account (as is the case of additively manufactured materials), a radically new approach is desirable. KW - Tiatanium KW - Synchrotron X-ray diffraction KW - Macroscopic stress KW - Laser powder bed fusion KW - Texture KW - Diffraction elastic constants PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-506483 DO - https://doi.org/10.1007/s11661-020-05711-6 VL - 51 IS - 6 SP - 3194 EP - 3204 PB - Springer AN - OPUS4-50648 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fritsch, Tobias A1 - Sprengel, Maximilian A1 - Evans, Alexander A1 - Farahbod-Sternahl, L. A1 - Saliwan Neumann, Romeo A1 - Hofmann, M. A1 - Bruno, Giovanni T1 - On the determination of residual stresses in additively manufactured lattice structures N2 - The determination of residual stresses becomes more complicated with increasing complexity of the structures investigated. Additive manufacturing techniques generally allow the production of ‘lattice structures’ without any additional manufacturing step. These lattice structures consist of thin struts and are thus susceptible to internal stress-induced distortion and even cracks. In most cases, internal stresses remain locked in the structures as residual stress. The determination of the residual stress in lattice structures through nondestructive neutron diffraction is described in this work. It is shown how two difficulties can be overcome: (a) the correct alignment of the lattice structures within the neutron beam and (b) the correct determination of the residual stress field in a representative part of the structure. The magnitude and the direction of residual stress are discussed. The residual stress in the strut was found to be uniaxial and to follow the orientation of the strut, while the residual stress in the knots was more hydrostatic. Additionally, it is shown that strain measurements in at least seven independent directions are necessary for the estimation of the principal stress directions. The measurement directions should be chosen according to the sample geometry and an informed choice on the possible strain field. If the most prominent direction is not measured, the error in the calculated stress magnitude increases considerably. KW - Additive manufacturing KW - Laser powder bed fusion KW - Residual stress KW - Principal stress components KW - Neutron diffraction KW - Lattice structures PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-520663 DO - https://doi.org/10.1107/S1600576720015344 SN - 1600-5767 VL - 54 SP - 228 EP - 236 AN - OPUS4-52066 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schröder, Jakob A1 - Mishurova, Tatiana A1 - Fritsch, Tobias A1 - Serrano-Munoz, Itziar A1 - Evans, Alexander A1 - Sprengel, Maximilian A1 - Klaus, M. A1 - Genzel, C. A1 - Schneider, J. A1 - Bruno, Giovanni T1 - On the influence of heat treatment on microstructure and mechanical behavior of laser powder bed fused Inconel 718 N2 - A range of heat treatments have been developed for wrought Inconel 718 to obtain desired properties. For additively manufactured Inconel 718, the recently developed standard ASTM F3301 provides guidance for heat treatment of powder bed fusion specimens. Although this standard is based on standards developed for wrought Inconel 718, it does not include direct aging. Since direct aging reduces the number of processing steps, it can result in a post processing cost reduction if the desired properties are obtained. In this study, we characterized the microstructure and tensile behavior of Inconel 718 specimens produced by a laser powder bed fusion process. The specimens were heat treated according to two different routines after stress relieving: a full heat Treatment versus a one-step direct aging process. Differences in the resulting texture and grain morphology were observed. The ex-situ stress-strain behavior was broadly similar. However, a slight increase in yield strength was observed for the direct aged specimen. In order to understand this behavior, investigations with in-situ synchrotron Energy dispersive X-ray diffraction tensile testing revealed differences in the load partitioning among different Crystal directions. Importantly, the elastic anisotropy expressed by the magnitude of the diffraction elastic constants showed a dependency on the microstructures. KW - Electron microscopy KW - X-ray analysis KW - Inconel 718 KW - Additive Manufacturing KW - Mechanical behavior KW - Diffraction elastic constants PY - 2021 DO - https://doi.org/10.1016/j.msea.2020.140555 VL - 805 SP - 40555 PB - Elsevier B.V. CY - Amsterdam AN - OPUS4-52142 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Roveda, Ilaria A1 - Serrano-Munoz, Itziar A1 - Mishurova, Tatiana A1 - Madia, Mauro A1 - Pirling, T. A1 - Evans, Alexander A1 - Klaus, M. A1 - Haubrich, J. A1 - Requena, G. A1 - Bruno, Giovanni T1 - Influence of a 265 °C heat treatment on the residual stress state of a PBF-LB/M AlSi10Mg alloy N2 - Laser Powder Bed Fusion (PBF-LB/M) additive manufacturing (AM) induces high magnitude residual stress (RS) in structures due to the extremely heterogeneous cooling and heating rates. As the RS can be deleterious to the fatigue resistance of engineering components, great efforts are focused on understanding their generation and evolution after post-process heat treatments. In this study, one of the few of its kind, the RS relaxation induced in an as-built PBF-LB/M AlSi10Mg material by a low-temperature heat treatment (265 °C for 1 h) is studied by means of X-ray and neutron diffraction. Since the specimens are manufactured using a baseplate heated up to 200 °C, low RS are found in the as-built condition. After heat treatment a redistribution of the RS is observed, while their magnitude remains constant. It is proposed that the redistribution is induced by a repartition of stresses between the a-aluminium matrix and the silicon phase, as the morphology of the silicon phase is affected by the heat treatment. A considerable scatter is observed in the neutron diffraction RS profiles, which is principally correlated to the presence (or absence) of pockets of porosity developed at the borders of the chessboard pattern. KW - Neutron diffraction KW - Additive manufacturing PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-565115 DO - https://doi.org/10.1007/s10853-022-07997-w SN - 1573-4803 VL - 57 SP - 22082 EP - 22098 PB - Springer Science + Business Media CY - Dordrecht AN - OPUS4-56511 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schröder, Jakob A1 - Heldmann, A. A1 - Hofmann, M. A1 - Evans, Alexander A1 - Petry, W. A1 - Bruno, Giovanni T1 - Determination of diffraction and single-crystal elastic constants of laser powder bed fused Inconel 718 N2 - High energy X-ray synchrotron diffraction is used to investigate the elastic anisotropy of the nickel-based superalloy IN718 produced by laser powder bed fusion (PBF-LB). This material is characterized by a columnar grain morphology with some crystallographic texture. The material is subjected to elastic loading to determine the diffraction elastic constants (DECs). Furthermore, the single-crystal elastic constants (SCEC) are refined from these experiments using different micromechanical models. The results show that each micromechanical model predicts a specific set of SCEC that well describes the elastic anisotropy of PBF-LB/IN718. KW - Mechanical Engineering KW - Mechanics of Materials KW - Condensed Matter Physics KW - General Materials Science PY - 2023 DO - https://doi.org/10.1016/j.matlet.2023.135305 SN - 0167-577X VL - 353 SP - 1 EP - 5 PB - Elsevier B.V. AN - OPUS4-58477 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Spitzer, Stefan A1 - Askar, Enis A1 - Benke, Alexander A1 - Cloney, C. A1 - D’Hyon, S. A1 - Dufaud, O. A1 - Dyduch, Z. A1 - Gabel, D. A1 - Geoerg, P. A1 - Heilmann, V. A1 - Jankuj, V. A1 - Jian, W. A1 - Krause, U. A1 - Krietsch, Arne A1 - Mynarz, M. A1 - Norman, F. A1 - Skrinsky, J. A1 - Taveau, J. A1 - Vignes, A. A1 - Zakel, S. A1 - Zhong, S. T1 - 1st international round robin test on safety characteristics of hybrid mixtures N2 - There is no applicable existing standard for the determination of safety characteristics for hybrid mixtures. While developing a new standard in a joint research project in Germany first results from parameter studies led to a standard procedure that can be adopted by laboratories that are already testing dusts in the so called 20L-sphere with as little additional effort as necessary. In fact, one of the main objectives of this research project was to keep modifications and adjustments from the generally accepted dust testing procedures as easy and minimal as possible so as to limit potential deviations from one laboratory to another. In this first round robin test on hybrid mixtures ever, with methane as gas component and a specific corn starch as dust sample, the practicality of the whole procedure, the scattering of the results and the deviation between the testing apparatuses is investigated. This paper summarizes the experimental procedure adopted and objectives of the first round-robin phase involving three of the four original German companies, plus volunteering laboratories from Australia, Belgium, Czech Republic, France, Poland and P.R. China. The results will have an impact on the new standard and may lead to robust data for later simulation purposes. KW - Hybrid mixtures KW - 20L-sphere KW - Round robin test KW - Turbulent combustion PY - 2022 DO - https://doi.org/10.1016/j.jlp.2022.104947 SN - 0950-4230 VL - 81 SP - 1 EP - 8 PB - Elsevier CY - Amsterdam AN - OPUS4-56516 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Braga, Daniel S. A1 - Pedersen, Angus A1 - Riyaz, Mohd A1 - Barrio, Jesús A1 - Bagger, Alexander A1 - Neckel, Itamar T. A1 - Mariano, Thiago M. A1 - Winkler, Manuel E. G. A1 - Stephens, Ifan E. L. A1 - Titirici, Maria‐Magdalena A1 - Nagao, Raphael T1 - In situ structural evolution and activity descriptor of atomically dispersed catalysts during nitrate electroreduction N2 - Single‐Atom Catalysts (SAC) have emerged as a promising class of materials for various catalytic applications, including the electrochemical nitrate reduction reaction (eNO3RR) and consequently ammonia production. While the efficiency and selectivity of these materials have been extensively highlighted for the eNO3RR, the in situ evolution to their structure and composition during electrocatalysis is largely unexplored and lacks catalyst design principles. To solve this, we investigated a series of high utilization metal‐nitrogen‐carbon (MNC) SACs (M = Cr, Fe, Co, Ni, and Cu) for eNO3RR. Except for CuNC, which selectively produced nitrite, all catalysts exhibited Faradaic efficiencies (FE) for ammonia exceeding 50%. NiNC demonstrated the highest performance (FE of 78.0 ± 2.9% at −0.4 V versus reversible hydrogen electrode (RHE) at pH 13 and maximum ammonia production rate of 615.7 ± 176.5 µmol·h−1·, corresponding to an energy efficiency of 15.1 ± 1.4% at −0.6 VRHE), followed by CoNC. In situ Synchrotron X‐ray fluorescence (SXRF) mapping at various cathodic potentials (from open circuit potential to 0.0 VRHE and then −0.6 VRHE at 100 mV steps) revealed significant mobility of Ni within the carbon matrix, leading to the formation of metallic clusters from 0.0 VRHE. Similar in situ metal clustering is observed for CoNC. Structure‐activity plots are generated from both MNC literature and results obtained here, finding a clear trend between OH binding energy and turnover frequency, with the high activity of NiNC and CoNC in this work explained by their stronger OH binding in the metallic structure compared to their SAC coordination. This work therefore, reveals the structure‐activity‐stability of MNCs for eNO3RR and provides a simple descriptor for identifying highly active eNO3RR catalysts and their in situ structural evolution. KW - Single atom KW - Nitrate reduction KW - Structure-activity-selectivity KW - In situ PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640353 DO - https://doi.org/10.1002/advs.202510282 SN - 2198-3844 VL - 12 IS - 39 SP - 1 EP - 14 PB - Wiley-VCH CY - Weinheim AN - OPUS4-64035 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Taffe, Alexander A1 - Spies, M. A1 - Recknagel, J. T1 - Schulung zur zuverlässigen Ortung von Bewehrung in Stahlbetonbauteilen von Kraftwerken N2 - In kerntechnischen Anlagen werden Revisionszeiträume genutzt, um unter anderem Anlagenteile nach dem Stand der Technik zu ertüchtigen und um Nachrüstungsmaßnahmen zur Erhöhung der Betriebssicherheit durchzuführen. Solche Anlagenteile werden häufig mittels Dübelplatten befestigt. Die Dübel sind in Stahlbetonbauteile einzubringen, die kraftwerkstypisch mit dichter Bewehrung versehen sind. Zerstörungsfreie Untersuchungen zur genauen Ortung bewehrungsfreier Orte sind hierzu erforderlich. Bei dieser vermeintlich einfachen Prüfaufgabe wurde deutlich, dass in der Praxis Bedarf an verbesserter Anwendungssicherheit der zur Verfügung stehenden ZFP-Verfahren besteht, die eng mit der Ausbildung von Prüfern verbunden ist. Dieser Beitrag berichtet über die bislang im Bereich ZfPBau erstmalig umgesetzte Strategie aus Verfahrensanweisung und Schulung zur zuverlässigen Ortung von Bewehrung an Stahlbetonbauteilen. Sie kann als Muster für weitere ZfPBau-Schulungen zur zuverlässigen Anwendung der Verfahren dienen. T2 - Fachtagung Bauwerksdiagnose 2012 - Praktische Anwendungen zerstörungsfreier Prüfungen und Zukunftsaufgaben CY - Berlin, Germany DA - 23.02.2012 KW - Zerstörungsfreie Prüfung im Bauwesen KW - ZfPBau KW - Ausbildung KW - Bewehrungsortung KW - Bauwerksdiagnose KW - Kernkraftwerk KW - Bauwerksprüfung PY - 2012 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-285909 UR - https://bauwerksdiagnose2012.dgzfp.de/Portals/bwd2012/Dokumente/bb/v04.pdf SN - 978-3-940283-40-5 IS - DGZfP BB 134 SP - 1 EP - 7 PB - Deutsche Gesellschaft für Zerstörungsfreie Prüfung (DGZfP) CY - Berlin AN - OPUS4-28590 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Taffe, Alexander A1 - Spies, M. A1 - Recknagel, J. A1 - Rieß, H. T1 - Schulung zur zuverlässigen Ortung von Bewehrung in Stahlbetonbauteilen von Kraftwerken N2 - In kerntechnischen Anlagen werden Revisionszeiträume genutzt, um unter anderem Anlagenteile nach dem Stand der Technik zu ertüchtigen und um Nachrüstungsmaßnahmen zur Erhöhung der Betriebssicherheit durchzuführen. Solche Anlagenteile werden häufig mittels Dübelplatten befestigt. Die Dübel sind in Stahl-betonbauteile einzubringen, die kraftwerkstypisch mit dichter Bewehrung versehen sind. Zerstörungsfreie Untersuchungen zur genauen Ortung bewehrungsfreier Orte sind hierzu erforderlich. Bei dieser vermeintlich einfachen Prüfaufgabe wurde deutlich, dass in der Praxis Bedarf an verbesserter Anwendungssicherheit der zur Verfügung stehenden ZFP-Verfahren besteht, die eng mit der Ausbildung von Prüfern verbunden ist. Dieser Beitrag berichtet über die bislang im Bereich ZfPBau erstmalig umgesetzte Strategie aus Verfahrensanweisung und Schulung zur zuverlässigen Ortung von Bewehrung an Stahlbetonbauteilen. Sie kann als Muster für weitere ZfPBau-Schulungen zur zuverlässigen Anwendung der Verfahren dienen. T2 - DGZfP-Jahrestagung 2011 CY - Bremen, Germany DA - 30.05.2011 KW - Zerstörungsfreie Prüfung im Bauwesen KW - Ausbildung KW - Bewehrungsortung KW - Performance demonstration KW - Blindtest KW - Wirbelstrom KW - Radar PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-253752 UR - https://jt2011.dgzfp.de/Portals/jt2011/BB/di2b1.pdf SN - 978-3-940283-33-7 IS - DGZfP BB 127 SP - 1 EP - 8 PB - Deutsche Gesellschaft für Zerstörungsfreie Prüfung (DGZfP) CY - Berlin AN - OPUS4-25375 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Peters, Stefan A1 - Bartling, Stephan A1 - Parlinska-Wojtan, Magdalena A1 - Wotzka, Alexander A1 - de Oliveira Guilherme Buzanich, Ana A1 - Wohlrab, Sebastian A1 - Abdel-Mageed, Ali M. T1 - Stabilization of intermediate Mo oxidation states by Nb doping enhancing methane aromatization on Mo/HZSM-5 catalysts N2 - The dehydroaromatization of methane is a promising process to produce aromatics and ultra-pure hydrogen. Increased yields and stability of Mo/HZSM-5 against irreversible deactivation were achieved via a redox interaction by doping with otherwise inert Nb. KW - General Materials Science KW - Sustainability and the Environment KW - General Chemistry KW - Renewable Energy PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-597670 DO - https://doi.org/10.1039/D3TA07532J SN - 2050-7488 SP - 1 EP - 16 PB - Royal Society of Chemistry (RSC) AN - OPUS4-59767 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Karafiludis, Stephanos A1 - Standl, Jacob A1 - Ryll, Tom W. A1 - Schwab, Alexander A1 - Prinz, Carsten A1 - Wolf, Jakob B. A1 - Kruschwitz, Sabine A1 - Emmerling, Franziska A1 - Völker, Christoph A1 - Stawski, Tomasz M. T1 - High-Entropy Phosphate Synthesis: Advancements through Automation and Sequential Learning Optimization N2 - Transition metal phosphates (TMPs) are extensively explored for electrochemical and catalytical applications due to their structural versatility and chemical stability. Within this material class, novel high-entropy metal phosphates (HEMPs)─containing multiple transition metals combined into a single-phase structure─are particularly promising, as their compositional complexity can significantly enhance functional properties. However, the discovery of suitable HEMP compositions is hindered by the vast compositional design space and complex or very specific synthesis conditions. Here, we present a data-driven strategy combining automated wet-chemical synthesis with a Sequential Learning App for Materials Discovery (SLAMD) framework (Random Forest regression model) to efficiently explore and optimize HEMP compositions. Using a limited set of initial experiments, we identified multimetal compositions in a single-phase crystalline solid. The model successfully predicted a novel Co0.3Ni0.3Fe0.2Cd0.1Mn0.1 phosphate octahydrate phase, validated experimentally, demonstrating the effectiveness of the machine learning approach. This work highlights the potential of integrating automated synthesis platforms with data-driven algorithms to accelerate the discovery of high-entropy materials, offering an efficient design pathway to advanced functional materials. KW - Metal phosphates KW - High entropy KW - Sequential learning KW - Automated synthesis KW - MAP KW - Random forest KW - Machine learning PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-641554 DO - https://doi.org/10.1021/acs.cgd.5c00549 SN - 1528-7483 VL - 25 IS - 19 SP - 7989 EP - 8001 PB - American Chemical Society (ACS) CY - Washington, DC AN - OPUS4-64155 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - INPR A1 - Smales, Glen J. A1 - Appel, Paul Alexander A1 - Breßler, Ingo A1 - Chambers, Aaron A1 - Dumele, Oliver A1 - Ebisch, Maximilian A1 - Frontzek, Julius A1 - del Refugio Monroy, José A1 - Rosalie, Julian M. A1 - Pauw, Brian R. T1 - DACHS and RoWaN: The Automated and Traceable Synthesis of ZIF-8 N2 - Automated synthesis and open-data practices are increasingly seen as key enablers of transparent, traceable, and reproducible science. By combining automation with structured, metadata-rich documentation, it becomes possible to systematically com- pare synthesis strategies and link outcomes to detailed parameters. In this work, we implement such an approach to study the synthesis of ZIF-8, comparing hand and automation-assisted methods under controlled conditions. Using over 100 synthesis experiments, we assess the repeatability of particle size and yield, and explore how variations in mixing and injection influence outcomes. This study demonstrates how traceable synthesis workflows can support repeatability and comparison across synthe- sis strategies. The DACHS (Database for Automation, Characterization and Holistic Synthesis) framework underpins this work, providing a lightweight infrastructure for transparent synthesis data capture. KW - Automation KW - MOFs KW - SAXS PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-645861 DO - https://doi.org/10.26434/chemrxiv-2025-7fgg0 SP - 1 EP - 32 PB - Cambridge AN - OPUS4-64586 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Azouigui, S. A1 - Silvestri, Z. A1 - Zerrouki, C. A1 - Bouhtiyya, S. A1 - Plimmer, M.D. A1 - Spaltmann, Dirk A1 - Kovalev, Alexander A1 - Woydt, Mathias A1 - Pinot, P. T1 - Angle resolved scattering as a tribological investigation tool for surface characterization N2 - This paper shows how Angle-Resolved Scattering can reveal wear on engineered surfaces. The samples studied, three discs made of steel 100Cr6H used in gear wheels in the automotive industry, were assessed after they had undergone ball-on-disc tests. Scattering maps recorded for spatial frequencies from 0.1 µm-1 to 2.7 µm-1 show a contrast inversion around 0.36 µm-1 revealing the wear trace. Besides measurements of rms roughness, where mean values are 20 nm and 24 nm depending on the locations considered, stationarity and isotropy, we demonstrate the ability of the technique to reveal localized wear on this type of surface in a rapid, robust and convenient way. We show that the tool trace is influenced by the load magnitude rather than by the number of oscillation cycles and highlight the key role played by surface roughness in how the sample responds to wear tests. KW - Surface roughness KW - Angle-resolved scattering KW - Wear KW - Isotropy PY - 2015 DO - https://doi.org/10.1016/j.wear.2014.12.040 SN - 0043-1648 VL - 326-327 SP - 58 EP - 67 PB - Elsevier B.V. CY - Amsterdam AN - OPUS4-33021 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hodoroaba, Vasile-Dan A1 - Hoffmann, V. A1 - Steers, E.B.M. A1 - Griepentrog, Michael A1 - Dück, Alexander A1 - Beck, Uwe T1 - Round Robin exercise: Coated materials for glow discharge spectroscopy N2 - A Round Robin (RR) exercise on selected coated materials has been carried out with the aim of finding the optimal conditions for the analysis of nitride layers with GD-OES. Such pre-normative work is necessary for the evaluation of parallel development of the production of nitride layers as certified reference materials (CRMs). Two types of samples, Ti–N layer and V–N layer, respectively, with chemical compositions close to stoichiometry and a thickness of ~3 µm, deposited on a steel substrate, have been provided to the RR participants. Additionally, another type of sample, a (100 nm CrNi/100 nm Cu) multilayer (ML) stack deposited on silicon wafer has also been included in the RR. This sample can be used as a CRM for checking GD spectrometer conditions and it has been proved helpful in further development of GDS instrumentation and methodology. The RR exercise has been performed in the frame of the EC Thematic Network on Glow Discharge Spectroscopy for Spectrochemical Analysis (‘GDS-Net’). KW - Coated/Layered Reference Materials KW - Nitrides KW - Multilayer KW - GDS KW - Round Robin PY - 2006 DO - https://doi.org/10.1039/B513426A SN - 0267-9477 SN - 1364-5544 VL - 21 IS - 1 SP - 74 EP - 81 PB - Royal Society of Chemistry CY - London AN - OPUS4-11762 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -