TY - CHAP A1 - Ballio, F. A1 - Chatzi, E. A1 - Cigada, A. A1 - Darò, P. A1 - Elfgren, L. A1 - Gentile, C. A1 - Górski, M. A1 - Küttenbaum, Stefan A1 - Limongelli, M. P. A1 - Mancini, G. A1 - Oliveira, S. A1 - Rasol, M. A1 - Schmidt, F. A1 - Shan, J. A1 - Sousa, H. A1 - Torrent, R. A1 - Ueda, T. A1 - Verstrynge, E. T1 - Chapter 6: Case studies N2 - This chapter contains a selection of case studies that show the implementation of the methods and tools that have been described in the previous chaprters of fib Bulletin 109 on actual large-scale structures. KW - Structural engineering KW - Structural Health Monitoring KW - Non-destructive testing KW - Static and dynamic reassessment KW - Existing structures PY - 2023 SN - 978-2-88394-172-4 DO - https://doi.org/10.35789/fib.BULL.0109.Ch06 SN - 1562-3610 VL - fib Bulletin 109 SP - 104 EP - 126 PB - Fédération internationale du béton (fib) CY - Lausanne AN - OPUS4-59341 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 - CONF A1 - Schneider, M. A1 - Schlingmann, T. A1 - Schmidt, J. A1 - Bettge, Dirk A1 - Hilgenberg, Kai A1 - Binder, M. A1 - Klöden, B. T1 - A Round Robin Test To Investigate The Printing Quality Of PBF LB/M Processed AlSi10Mg N2 - When it comes to higher accuracies, new technologies and real applications in additive manufacturing, there is one topic which cannot be avoided: The material response on the chosen processing parameters and its agreement and correspondence with literature data of the wrought material grade counterpart. In industrial Additive Manufacturing (AM) standards in terms of printing parameters, protection gas atmospheres or powder handling instructions are not obligatory. Therefore, the question must be answered whether the AM process is reproducible and reliable over different printing companies. This was the motivation to realize a round robin test between 8 European printing companies and academic partners. The consortium had printed and tested fatigue and tensile testing bars under plant-specific conditions. A commonly used cast aluminum alloy, AlSi10Mg, was chosen as test material for the PBF-LB/M process. Differences of the results between the partners and the scatter itself were discussed in detail. T2 - World PM2022 CY - Lyon, France DA - 09.10.2022 KW - Additive manufacturing KW - AlSi10Mg KW - Laser powder bed fusion KW - Round robin KW - Reproducibility PY - 2022 AN - OPUS4-56303 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schneider, M. A1 - Schlingmann, T. A1 - Schmidt, J. A1 - Bettge, Dirk A1 - Hilgenberg, Kai A1 - Binder, M. A1 - Klöden, B. T1 - A Round Robin Test To Investigate The Printing Quality Of PBF-LB/M Processed AlSi10Mg N2 - When it comes to higher accuracies, new technologies and real applications in additive manufacturing, there is one topic which cannot be avoided: The material response on the chosen processing parameters and its agreement and correspondence with literature data of the wrought material grade counterpart. In industrial Additive Manufacturing (AM) standards in terms of printing parameters, protection gas atmospheres or powder handling instructions are not obligatory. Therefore, the question must be answered whether the AM process is reproducible and reliable over different printing companies. This was the motivation to realize a round robin test between 8 European printing companies and academic partners. The consortium had printed and tested fatigue and tensile testing bars under plant-specific conditions. A commonly used cast aluminum alloy, AlSi10Mg, was chosen as test material for the PBF-LB/M process. Differences of the results between the partners and the scatter itself were discussed in detail. T2 - World PM2022 CY - Lyon, France DA - 09.10.2022 KW - Additive manufacturing KW - Round robin KW - Reproducibility KW - Laser powder bed fusion KW - AlSi10Mg PY - 2022 SN - 978-1-899072-54-5 SP - 1 EP - 10 PB - European Powder Metallurgy Association (EPMA) AN - OPUS4-56304 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wu, Dejian A1 - Schmidt, Martin A1 - Krietsch, Arne A1 - Krause, U. T1 - Effect of oxygen concentration, inert gas and CH4/H2 addition on the minimum ignition energy of coal dusts N2 - MIKE III apparatus tests were conducted to investigate the minimum ignition energy (MIE) of coal dusts in air and O2/CO2 atmospheres with and without small amount of CH4/H2. The O2 mole fraction (XO2) in the gas mixtures varied from 21% to 50% with the CH4/H2 mole fraction from 0 to 2%. Experimental result showed that MIE of coal dusts significantly decreases even by three orders of magnitude in mJ with increasing XO2 and the addition of CH4/H2. Compared with CH4, H2 had a relatively strong promotion effect on the spark ignition of coal dusts. The inhibiting effect of CO2 was found to be much stronger than N2, but this inhibiting effect of CO2 could be eliminated by 9% increment of XO2. The effect on MIE of coal dusts thus followed by the order: 9% increment of XO2 > CO2 replacing N2 > 2% CH4 or H2 addition. Moreover, two empirical models were used to estimate the MIE of hybrid dust-gas mixture (HMIE), and the results showed that calculated data can well reflect the promoting effect of elevated XO2 and flammable gas addition, and the inhibiting effect of inert gas KW - Ignition energy KW - Hybrid mixture KW - Oxygen rich KW - Inerting effect KW - Empirical model PY - 2022 DO - https://doi.org/10.1016/j.jlp.2022.104772 SN - 0950-4230 VL - 77 SP - 1 EP - 10 PB - Elsevier Ltd. AN - OPUS4-55888 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schneider, M. A1 - Bettge, Dirk A1 - Hilgenberg, Kai A1 - Binder, M. A1 - Dollmeier, K. A1 - Dreyer, M. A1 - Klöden, B. A1 - Schlingmann, T. A1 - Schmidt, J. T1 - Reproducibility and Scattering in Additive Manufacturing: Results from a Round Robin on PBF-LB/M AlSi10Mg Alloy T1 - Reproduzierbarkeit und Streuung bei der additiven Fertigung: Ergebnisse eines Ringversuchs mit einer PBF-LB/M AlSi10Mg-Legierung N2 - The round robin test investigated the reliability users can expect for AlSi10Mg additive manufactured specimens by laser powder bed fusion through examining powder quality, process parameter, microstructure defects, strength and fatigue. Besides for one outlier, expected static material properties could be found. Optical microstructure inspection was beneficial to determine true porosity and porosity types to explain the occurring scatter in properties. Fractographic analyses reveal that the fatigue crack propagation starts at the rough as-built surface for all specimens. Statistical analysis of the scatter in fatigue using statistical derived safety factors concludes that at a stress of 36.87 MPa the fatigue limit of 107 cycles could be reached for all specimen with a survival probability of 99.999 %. N2 - Im Rahmen eines Ringversuchs wurde durch die Untersuchung der Pulverqualität, der Prozessparameter, der Gefügefehler, der Festigkeit und der Ermüdung die Zuverlässigkeit bestimmt, die Nutzer von AlSi10Mg-Proben erwarten können, die mit pulverbettbasiertes Schmelzen mittels Laser (engl. Laser Powder Bed Fusion) gefertigt worden sind. Abgesehen von einem Ausreißer wurden die erwarteten statischen Materialeigenschaften erreicht. Eine optische Gefügeprüfung diente dazu, die tatsächliche Porosität und Arten von Porosität zu ermitteln, um die bei den Eigenschaften auftretende Streuung zu erklären. Fraktographische Unterschungen zeigen eine bei allen Proben von der rauen Oberfläche im As-built-Zustand ausgehende Ermüdungsrissausbreitung. Aus der statistischen Analyse der Streuung bezüglich der Ermüdung unter Anwendung von statistischen abgeleiteten Sicherheitsfaktoren geht hervor, dass alle Proben die Dauerfestigkeit von 107 Zyklen bei einer Spannung von 36,87 MPa mit einer Überlebenswahrscheinlichkeit von 99,999 % erreichten. KW - Additive manufacturing KW - Reproducibility KW - Reliability PY - 2022 DO - https://doi.org/10.1515/pm-2022-1018 SN - 2195-8599 VL - 59 IS - 10 SP - 580 EP - 614 PB - De Gruyter AN - OPUS4-55935 LA - mul AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zweigle, J. A1 - Schmidt, A. A1 - Bugsel, B. A1 - Vogel, Christian A1 - Simon, Fabian A1 - Zwiener, C. T1 - Perfluoroalkyl acid precursor or weakly fluorinated organic compound? A proof of concept for oxidative fractionation of PFAS and organofluorines N2 - Organofluorine mass balance approaches are increasingly applied to investigate the occurrence of per- and polyfluoroalkyl substances (PFAS) and other organofluorines in environmental samples more comprehensively. Usually, complex samples prevent the identification and quantification of every fluorine-containing molecule. Consequently, large unidentified fractions between fluorine sum parameters such as extractable organic fluorine (EOF) and the sum of quantified analytes are frequently reported. We propose using oxidative conversion to separate (unidentified) weakly fluorinated compounds (e.g., pesticides, pharmaceuticals) from PFAA-precursors (perfluoroalkyl chain lengths ≥ C6). We show with three organofluorine model substances (flufenamic acid, diflufenican, pantoprazole) that CF3-groups or aromatic fluorine can be quantitatively converted to inorganic fluoride and trifluoroacetic acid (TFA) by applying PhotoTOP oxidation (UV/TiO2). The principle of fluorine separation in mixtures is demonstrated by the oxidation of the three weakly fluorinated compounds together with the PFAA-precursor 6:2/6:2 fluorotelomer mercaptoalkyl phosphate diester (FTMAP). After oxidation, the products F− and TFA were separated from PFCAs ( C4) by SPE, and the fractions were analyzed individually. Closed mass balances both with and without the addition of organic matrix were achieved. Eventually, the fluorine balance was verified by total fluorine measurements with combustion ion chromatography (CIC). The proposed methods should be considered a proof of concept to potentially explain unidentified fractions of the EOF, especially if compounds with low fluorine content such as pesticides, pharmaceuticals, and their transformation products contribute largely to the EOF. Future studies are needed to show the applicability to the complexity of environmental samples. Graphical Abstract KW - Combustion Ion Chromatography KW - Per- and Polyfluoroalkyl substances (PFAS) PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-613429 DO - https://doi.org/10.1007/s00216-024-05590-5 SP - 1 EP - 10 PB - Springer Science and Business Media LLC AN - OPUS4-61342 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schmidt, Jonathan T1 - Hochaufgelöste visuelle In-situ Prozessüberwachung im PBF-LB/M N2 - Im Rahmen dieses Vortrags werden die bisherigen Arbeiten des Fachbereichs 9.6 zur hochauflösenden visuellen In-Situ Prozessüberwachung im pulverbettbasierten Schmelzen von Metall mittels Laserstrahl (PBF-LB/M) vorgestellt. Als Kamerasystem dient eine 65-Megapixel-Monochromkamera, die in eine kommerzielle PBF-LB/M-Maschine integriert wurde und eine räumliche Auflösung von 17,2 µm/Pixel erreicht. Zur Problemstrukturierung werden Defekte im PBF-LB/M als indirekte und direkte Defekte klassifiziert und ihre Erkennung anhand von Schichtbildern diskutiert. Zudem wird der Einfluss der Beleuchtungssituation auf die Erkennbarkeit von Defekten untersucht. Darüber hinaus wird der Kontrast der Grauwertmatrix als Indikator für das Vorliegen von Bindefehlern vorgestellt. T2 - 11. Mitteldeutsches Forum 3D-Druck in der Anwendung CY - Merseburg, Germany DA - 16.10.2024 KW - Additive manufacturing KW - Image processing KW - In-situ monitoring PY - 2024 AN - OPUS4-61376 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schmidt, Stephan A1 - Hoffmann, Holger A1 - Garbe, Leif-Alexander A1 - Harrer, Andrea A1 - Steiner, Markus A1 - Himly, Martin A1 - Schneider, Rudolf T1 - Re-assessment of monoclonal antibodies against diclofenac for their application in the analysis of environmental waters N2 - The non-steroidal anti-inflammatory drug (NSAID) diclofenac (DCF) is an important environmental contaminant occurring in surface waters all over the world, because, after excretion, it is not adequately removed from wastewater in sewage treatment plants. To be able to monitor this pollutant, highly efficient analytical methods are needed, including immunoassays. In a medical research project, monoclonal antibodies against diclofenac and its metabolites had been produced. Based on this monoclonal anti-DCF antibody, a new indirect competitive enzyme-linked immunosorbent assay (ELISA) was developed and applied for environmental samples. The introduction of a spacer between diclofenac and the carrier protein in the coating conjugate led to higher sensitivity. With a test midpoint of 3 mg L−1 and a measurement range of 1–30 mg L−1, the system is not sensitive enough for direct analysis of surface water. However, this assay is quite robust against matrix influences and can be used for wastewater. Without adjustment of the calibration, organic solvents up to 5%, natural organic matter (NOM) up to 10 mg L−1, humic acids up to 2.5 mg L−1, and salt concentrations up to 6 g L−1 NaCl and 75 mg L−1 CaCl2 are tolerated. The antibody is also stable in a pH range from 3 to 12. Cross-reactivity (CR) of 1% or less was determined for the metabolites 40-hydroxydiclofenac (40-OH-DCF), 5-hydroxydiclofenac (5-OH-DCF), DCF lactam, and other NSAIDs. Relevant cross-reactivity occurred only with an amide derivative of DCF, 6-aminohexanoic acid (DCF-Ahx), aceclofenac (ACF) and DCF methyl ester (DCF-Me) with 150%, 61% and 44%, respectively. These substances, however, have not been found in samples. Only DCF-acyl glucuronide with a cross-reactivity of 57% is of some relevance. For the first time, photodegradation products were tested for cross-reactivity. With the ELISA based on this antibody, water samples were analysed. In sewage treatment plant effluents, concentrations in the range of 1.9–5.2 mg L−1 were determined directly, with recoveries compared to HPLC-MS/MS averaging 136%. Concentrations in lakes ranged from 3 to 4.4 ng L−1 and were, after pre-concentration, determined with an average recovery of 100% KW - Antikörper KW - Immunoassay KW - Wasser PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-602280 DO - https://doi.org/10.1039/d3ay01333b VL - 16 IS - 21 SP - 3349 EP - 3363 PB - Royal Society of Chemistry (RSC) CY - London AN - OPUS4-60228 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Lüth, Peter A1 - Brandes, E. A1 - Frost, K. A1 - Kurth, Lutz A1 - Schmidt, Martin A1 - Michael-Schulz, Heike A1 - Uhlig, S. T1 - CEQAT-DGHS Ringversuchsprogramm der BAM in Kooperation mit QuoData und PTB N2 - Bei der Bewertung der Verlässlichkeit der im Labor gewonnenen Prüfergebnisse spielen Ringversuche eine entscheidende Rolle. Die Bundesanstalt für Materialforschung und -prüfung (BAM) unterstützt deshalb den weiteren Ausbau des Ringversuchsprogramms des im Jahr 2007 gegründeten Kompetenzzentrums zur Qualitätssicherung für Prüfungen von Gefahrgütern und Gefahrstoffen auf physikalische Gefahren (Centre for quality assurance for testing of dangerous goods and hazardous substances, CEQAT-DGHS). Bei allen bisher untersuchten Prüfmethoden besteht ein Verbesserungsbedarf. Die RV müssen daher zunächst auf die Methodenentwicklung, -verbesserung und -validierung abzielen und nicht auf Leistungstests. T2 - 14. Kolloquium zur chemischen und physikalischen Sicherheitstechnik (BAM-PTB-Kolloquium) CY - Berlin, Germany DA - 14.06.2016 KW - Gefahrgut KW - Gefahrstoff KW - Ringversuch KW - Prüfmethode KW - Validierung KW - Qualitätssicherung PY - 2016 SN - 978-3-9817853-5-7 SN - 0938-5533 SP - 143 EP - 143 PB - Bundesanstalt für Materialforschung und -prüfung (BAM) CY - Berlin AN - OPUS4-38464 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schmidt, Stephan ED - Schmidt, Stephan T1 - Entwicklung monoklonaler Antikörper gegen Diclofenac N2 - Diclofenac (DCF) wird als nicht-steroidales-antientzündliches Arzneimittel gegen Fieber, Entzündungen, rheumatische Erkrankungen und Schmerzen eingesetzt. 70 % werden nach Einnahme wieder ausgeschieden. Aufgrund unvollständiger Elimination in den Kläranlagen lassen sich Rückstände im Trinkwasser und im Oberflächengewässer nachweisen. Diclofenac wird in der Umweltanalytik v.a. mittels GC-MS oder LC-MS nachgewiesen. Bioanalytische Methoden machen sich die spezifische Antigen-Antikörper-Wechselwirkung zunutze, so z.B. Immunoassays. Die hierfür erforderlichen Antikörper werden durch Immunisierung mit einem Konjugat aus dem Analyten und einem Trägerprotein gewonnen. Die Kopplung kann direkt über die Carboxylfunktion von Diclofenac erfolgen. Um Abschirmungseffekte zu vermeiden, kann zwischen Protein und Analyt ein Spacer sinnvoll sein. T2 - 2. Forum Junger Umweltwissenschaftler CY - Blomberg, Germany DA - 22.06.2015 KW - Haptene KW - Diclofanc KW - Antikörper KW - Proteinkonjugate KW - ELISA PY - 2015 SN - 1618-3258 VL - 21 IS - 4/2015 SP - 107 EP - 109 PB - Fachgruppe Umweltchemie und Ökotoxikologie der Gesellchaft Deutscher Chemiker CY - Trier AN - OPUS4-36810 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -