TY - JOUR A1 - Weber, K. A1 - Weber, M. A1 - Menneken, M. A1 - Kral, A. G. A1 - Mertz-Kraus, R. A1 - Geisler, T. A1 - Vogl, Jochen A1 - Tütken, T. T1 - Diagenetic stability of non-traditional stable isotope systems (Ca, Sr, Mg, Zn) in teeth – An in-vitro alteration experiment of biogenic apatite in isotopically enriched tracer solution N2 - Stable isotope ratios and trace element concentrations of fossil bones and teeth are important geochemical proxies for the reconstruction of diet and past environment in archaeology and palaeontology. However, since diagenesis can significantly alter primary diet-related isotope signatures and elemental compositions, it is important to understand and quantify alteration processes. Here, we present the results of in-vitro Alteration experiments of dental tissues from a modern African elephant molar reacted in aqueous solutions at 30 °C and 90 °C for 4 to 63 days. Dental cubes with ≈ 3 mm edge length, comprising both enamel and dentin, were placed into 2 mL of acidic aqueous solution enriched in different isotopes (25Mg, 44Ca, 67Zn, 86Sr, initial pH 1). Element and isotope distribution profiles across the reacted cubes were measured with LA-(MC-)ICP-MS and EMPA, while potential effects on the bioapatite crystal structure were characterised by Raman spectroscopy. In all experiments isotope ratios measured by LA-(MC-)ICP-MS revealed an alteration of the enamel in the outer ≈ 200–300 μm. In contrast, dentin was fully altered (≈ 1.4 mm) after one week at 90 °C while the alteration did not exceed a depth of 150–200 μm during the 30 °C experiments. Then, the tracer solution started also to penetrate through the enamel-dentin junction into the innermost enamel, however, leaving the central part of the enamel unaltered, even after three months. The Raman spectra suggest an initial demineralisation in the acidic environment while organic matter (i.e. collagen) is still preserved. In the 90 °C experiment, Raman spectra of the v1 PO4) band of the dentin shift over time towards synthetic hydroxylapatite patterns and the Ca (and Sr) concentrations in the respective solutions decrease. This indicates precipitation of newly formed apatite. Isotope and element concentration profiles across the dental tissues reveal different exchange mechanisms for different isotope systems. Magnesium is leached from enamel and dentin, while Zn is incorporated into the apatite crystal structure. However, the distribution of both elements is not affected in the innermost enamel where their concentrations do not change over the whole duration of the experiments. We found no correlation of reaction depth in the cubes and experimental duration, which might be caused by natural variability of the dental material already at the beginning of the experiment. Our alteration experiments in a closed system at high temperatures ≤90 °C and low initial pH demonstrate that at least the central part of mm-thick mammalian enamel apatite seems to be resistant against alteration preserving its pristine bioapatite mineral structure as well as its in-vivo elemental and isotopic composition. The experiments assess diagenetic alteration in a novel multi-proxy approach using in-situ analyses in high spatial resolution. It is demonstrated that the isotopes of Ca, Sr, Zn and Mg in the dentin are prone for diagenetic alteration, while enamel is more resistant against alteration and could be used for dietary and physiological reconstructions in fossil teeth. KW - Bioapatite KW - Isotopes KW - Raman spectroscopy KW - Diagenesis KW - LA-(MC-)ICP-MS KW - EPMA PY - 2021 DO - https://doi.org/10.1016/j.chemgeo.2021.120196 VL - 572 SP - 120196 PB - Elsevier B.V. CY - Amsterdam AN - OPUS4-52447 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Debatin, F. A1 - Behrens, K. A1 - Weber, J. A1 - Baburin, I. A. A1 - Thomas, A. A1 - Schmidt, J. A1 - Senkovska, I. A1 - Kaskel, S. A1 - Kelling, A. A1 - Hedin, N. A1 - Bacsik, Z. A1 - Leoni, S. A1 - Seifert, G. A1 - Jäger, Christian A1 - Günter, C. A1 - Schilde, U. A1 - Friedrich, A. A1 - Holdt, H.-J. T1 - An isoreticular family of microporous metal-organic frameworks based on zinc and 2-substituted imidazolate-4-amide-5-imidate: syntheses, structures and properties N2 - We report on a new series of isoreticular frameworks based on zinc and 2-substituted imidazolate-4-amide-5-imidate (IFP-1–4, IFP=imidazolate framework Potsdam) that form one-dimensional, microporous hexagonal channels. Varying R in the 2-substitued linker (R=Me (IFP-1), Cl (IFP-2), Br (IFP-3), Et (IFP-4)) allowed the channel diameter (4.0–1.7 Å), the polarisability and functionality of the channel walls to be tuned. Frameworks IFP-2, IFP-3 and IFP-4 are isostructural to previously reported IFP-1. The structures of IFP-2 and IFP-3 were solved by X-ray crystallographic analyses. The structure of IFP-4 was determined by a combination of PXRD and structure modelling and was confirmed by IR spectroscopy and 1H MAS and 13C CP-MAS NMR spectroscopy. All IFPs showed high thermal stability (345–400°C); IFP-1 and IFP-4 were stable in boiling water for 7 d. A detailed porosity analysis was performed on the basis of adsorption measurements by using various gases. The potential of the materials to undergo specific interactions with CO2 was investigated by measuring the isosteric heats of adsorption. The capacity to adsorb CH4 (at 298 K), CO2 (at 298 K) and H2 (at 77 K) at high pressure were also investigated. In situ IR spectroscopy showed that CO2 is physisorbed on IFP-1–4 under dry conditions and that both CO2 and H2O are physisorbed on IFP-1 under moist conditions. KW - Adsorption KW - Metal-organic frameworks KW - Microporous materials KW - N,O ligands KW - Zinc PY - 2012 DO - https://doi.org/10.1002/chem.201200889 SN - 0947-6539 SN - 1521-3765 VL - 18 IS - 37 SP - 11630 EP - 11640 PB - Wiley-VCH Verl. CY - Weinheim AN - OPUS4-27725 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - BOOK A1 - Maiwald, Michael A1 - Bassler, M. A1 - Deilmann, M. A1 - Ens, W. A1 - Frenzel, F. A1 - Gerlach, M. A1 - Großmann, J. A1 - Grümbel, F. A1 - Heisterkamp, M. A1 - Kaiser, U. A1 - Lambrecht, A. A1 - Ohlenkamp, R. A1 - Pötter, T. A1 - Pyka, P. A1 - Roos, E. A1 - Schmidt, A. A1 - Schünemann, U. A1 - Theuer, M. A1 - Tukle, A. A1 - Weber, N. T1 - Technologie-Roadmap „Prozess-Sensoren 2027+“ N2 - Die Technologie-Roadmap „Prozess-Sensoren 2027+“ ist eine Weiterentwicklung vorgängiger Technologie-Roadmaps. Im Zentrum dieser Roadmaps stehen Sensoren zur Erfassung von physikalischen und chemischen Messgrößen mittels spezifischer und unspezifischer Messverfahren, die zur Steuerung und dem besseren Verständnis von Prozessen dienen. Die Roadmap fasst die gemeinsame Technologie- und Marktsicht von Anwendern, Herstellern und Forschungseinrichtungen im Bereich Prozess-Sensorik in der verfahrenstechnischen Industrie zusammen. Sie beschreibt die wesentlichen Trends im Bereich Prozess-Sensorik und künftige Handlungsbedarfe für Hersteller, Anwender sowie für Einrichtungen der Forschung und Lehre. Für die aktuellen und zukünftigen Anforderungen an Prozess-Sensoren werden 19 Thesen formuliert. Die Thesen basieren auf den Thesen der vorangegangenen Roadmaps, wobei die aus heutiger Sicht erforderlichen Anpassungen, Ergänzungen und teilweise auch Streichungen vorgenommen wurden. Die Thesen sind in 5 Themencluster eingeordnet. Digitalisierung und Nachhaltigkeit sind übergreifende Kernthemen der künftigen Entwicklung. KW - Technologie-Roadmap Prozess-Sensoren KW - Prozessindustrie KW - Prozessanalytik KW - Sensorik KW - Digitalisierung KW - NAMUR PY - 2021 SP - 1 EP - 63 AN - OPUS4-53741 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Tyagi, R. A1 - Malhotra, S. A1 - Thünemann, Andreas A1 - Sedighi, A. A1 - Weber, M. A1 - Schäfer, A. A1 - Haag, R. T1 - Investigations of host-guest interactions with shape-persistent nonionic dendritic micelles N2 - The interaction of self-assembled dendritic amphiphiles with drugs and dyes in aqueous solutions is of great significance for designing and optimizing shape-persistent delivery systems. Here we present deeper insight for two examples of low molecular weight (LMW) nonionic dendritic amphiphiles as host molecules and a series of selected aromatic guest model molecules (benzene, naphthalene, biphenyl, terphenyl, anthracene, and pyrene). Aromatic guest molecules were incorporated into the self-assemblies of dendritic nanocarriers, and the resultant complexes were studied by a combination of UV, NMR, computational simulation, and small-angle X-ray-scattering (SAXS) techniques in order to determine the loading capacity, localization, and specific interactions in dendritic amphiphiles with guest molecules. Our findings revealed that the localization of guest molecules in the hydrophobic region and the loading capacity of guest molecules are dependent on their size and the arrangement of aromatic rings instead of the loading amount. Furthermore, the shape of self-assembled host molecules was found to be ellipsoidal and highly persistent even after loading the guest molecules. To the best of our knowledge, this is the first systematic host–guest study, particularly with low molecular weight nonionic dendritic amphiphilies and aromatic guest molecules. Thus, this study opens new possibilities and ways to explore the transport behavior of aromatic drugs with such nanocarriers. KW - Nanotechnology PY - 2013 DO - https://doi.org/10.1021/jp401503y SN - 1932-7447 SN - 1089-5639 VL - 117 IS - 23 SP - 12307 EP - 12317 PB - Soc. CY - Washington, DC AN - OPUS4-28710 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Reinmuth-Selzle, K. A1 - Kampf, C. J. A1 - Lucas, K. A1 - Lang-Yona, N. A1 - Fröhlich-Nowoisky, J. A1 - Shiraiwa, M. A1 - Lakey, P. S. J. A1 - Lai, S. A1 - Liu, F. A1 - Kunert, A. T. A1 - Ziegler, K. A1 - Shen, F. A1 - Sgarbanti, R. A1 - Weber, B. A1 - Bellinghausen, I. A1 - Saloga, J. A1 - Weller, Michael G. A1 - Duschl, A. A1 - Schuppan, D. A1 - Pöschl, U. T1 - Air pollution and climate change effects on allergies in the anthropocene: Abundance, interaction, and modification of allergens and adjuvants N2 - Air pollution and climate change are potential drivers for the increasing burden of allergic diseases. The molecular mechanisms by which air pollutants and climate parameters may influence allergic diseases, however, are complex and elusive. This article provides an overview of physical, chemical and biological interactions between air pollution, climate change, allergens, adjuvants and the immune system, addressing how these interactions may promote the development of allergies. We reviewed and synthesized key findings from atmospheric, climate, and biomedical research. The current state of knowledge, open questions, and future research perspectives are outlined and discussed. The Anthropocene, as the present era of globally pervasive anthropogenic influence on planet Earth and, thus, on the human environment, is characterized by a strong increase of carbon dioxide, ozone, nitrogen oxides, and combustion- or traffic-related particulate matter in the atmosphere. These environmental factors can enhance the abundance and induce chemical modifications of allergens, increase oxidative stress in the human body, and skew the immune system toward allergic reactions. In particular, air pollutants can act as adjuvants and alter the immunogenicity of allergenic proteins, while climate change affects the atmospheric abundance and human exposure to bioaerosols and aeroallergens. To fully understand and effectively mitigate the adverse effects of air pollution and climate change on allergic diseases, several challenges remain to be resolved. Among these are the identification and quantification of immunochemical reaction pathways involving allergens and adjuvants under relevant environmental and physiological conditions. KW - Allergie KW - Klimaveränderung KW - Luftverschmutzung KW - Partikel KW - Ozon KW - Stickoxide KW - Allergene KW - Adjuvantien KW - PALM KW - DAMP PY - 2017 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-404531 DO - https://doi.org/10.1021/acs.est.6b04908 SN - 1520-5851 SN - 0013-936X VL - 51 IS - 8 SP - 4119 EP - 4141 PB - American Chemical Society (ACS) CY - Washington AN - OPUS4-40453 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Weber, A. A1 - von Randow, M. A1 - Voigt, A.-L. A1 - von der Au, Marcus A1 - Fischer, E. A1 - Meermann, Björn A1 - Wagner, M. T1 - Ingestion and toxicity of microplastics in the freshwater gastropodLymnaea stagnalis: No microplastic-induced effects alone or incombination with copper N2 - The interaction of microplastics with freshwater biota and their interaction with other stressors is still not very well understood. Therefore, we investigated the ingestion, excretion and toxicity of microplastics in the freshwater gastropod Lymnaea stagnalis. MP ingestion was analyzed as tissues levels in L. stagnalis after 6–96 h of exposure to 5–90 μm spherical polystyrene (PS) microplastics. To understand the excretion, tissue levels were determined after 24 h of exposure followed by a 12 h–7 d depuration period. To assess the toxicity, snails were exposed for 28 d to irregular PS microplastics (<63 μm, 6.4–100,000 particles mL−1), both alone and in combination with copper as additional stressor. To compare the toxicity of natural and synthetic particles, we also included diatomite particles. Microplastics ingestion and excretion significantly depended on the particle size and the exposure/depuration duration. An exposure to irregular PS had no effect on survival, reproduction, energy reserves and oxidative stress. However, we observed slight effects on immune cell phagocytosis. Exposure to microplastics did not exacerbate the reproductive toxicity of copper. In addition, there was no pronounced difference between the effects of microplastics and diatomite. The tolerance towards microplastics may originate from an adaptation of L. stagnalis to particle-rich environments or a general stress resilience. In conclusion, despite high uptake rates, PS fragments do not appear to be a relevant stressor for stress tolerant freshwater gastropods considering current environmental levels of microplastics. KW - Lymnaea stagnalis KW - Microplastic-induced effects KW - Mixture toxicity PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-513551 DO - https://doi.org/10.1016/j.chemosphere.2020.128040 VL - 263 SP - 128040 PB - Elsevier Ltd. AN - OPUS4-51355 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wolff, M. A1 - Wonneberger, R. A1 - Freiberg, K.E. A1 - Hertwig, Andreas A1 - Bonse, Jörn A1 - Giebeler, L. A1 - Koitzsch, A. A1 - Kunz, C. A1 - Weber, H. A1 - Hufenbach, J.K. A1 - Müller, F.A. A1 - Gräf, S. T1 - Formation of laser-induced periodic surface structures on Zr-based bulk metallic glasses with different chemical composition N2 - Bulk metallic glasses (BMG) are amorphous metal alloys known for their unique physical and mechanical properties. In the present study, the formation of femtosecond (fs) laser-induced periodic surface structures (LIPSS) on the Zr-based BMGs Zr46Cu46Al8, Zr61Cu25Al12Ti2, Zr52.5Cu17.9Al10Ni14.6Ti5 (Vit105) and Zr57Cu15.4Al10Ni12.6Nb5 (Vit106) was investigated as a function of their different chemical composition. For this purpose, LIPSS were generated on the sample surfaces in an air environment by fs-laser irradiation (λ = 1025 nm, τ = 300 fs, frep = 100 kHz). The surface topography was characterized by scanning electron microscopy and atomic force microscopy. Moreover, the impact of LIPSS formation on the structure and chemical surface composition was analyzed before and after fs-laser irradiation by X-ray diffraction and X-ray photoelectron spectroscopy as well as by transmission electron microscopy in combination with energy dispersive X-ray spectroscopy. Despite the different chemical composition of the investigated BMGs, the fs-laser irradiation resulted in almost similar properties of the generated LIPSS patterns. In the case of Zr61Cu25Al12Ti2, Vit105 and Vit106, the surface analysis revealed the preservation of the amorphous state of the materials during fs-laser irradiation. The study demonstrated the presence of a native oxide layer on all pristine BMGs. In addition, fs-laser irradiation results in the formation of laser-induced oxide layers of larger thickness consisting of an amorphous ZrAlCu-oxide. The precise laser-structuring of BMG surfaces on the nanoscale provides a versatile alternative to thermoplastic forming of BMG surfaces and is of particular interest for the engineering of functional material surfaces. KW - Bulk metallic glasses KW - Femtosecond laser KW - Laser-induced periodic surface structures (LIPSS) KW - Chemical analysis KW - Oxidation PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-581799 DO - https://doi.org/10.1016/j.surfin.2023.103305 SN - 2468-0230 VL - 42 SP - 1 EP - 11 PB - Elsevier B.V. AN - OPUS4-58179 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Neser, A. A1 - Schreiber, D. A1 - Magallanes, J. A1 - Martinez, R. A1 - Zencker, Uwe A1 - Weber, Mike T1 - A material testing program to characterize the concrete behavior under static and dynamic loads N2 - In this paper a comprehensive material testing program is described to characterize a German final repository concrete material (BERB1) subjected to static and dynamic loads. The BERB1 material was developed und specified by the German Bundesanstalt für Materialforschung und -prüfung (BAM) for targets used for drop tests according to the KONRAD requirements. The testing consists of three concurrent laboratory experimental programs performed in the USA. An extensive preliminary testing program in Germany was performed to assure the required concrete specifications during fabrication and curing. The first set of data is the static basic material test program consisting of structural tests to quantify macroscopic concrete properties under quasi-static loads. Cubic and cylindrical specimens are investigated under this effort. The second set of test data is from the static complete material test program, where cylindrical concrete specimens are subjected to a variety of quasi-static axial and radial stress and strain paths using a high-pressure hydraulic tri-axial chamber. The material is characterized for confining pressures up to 400 MPa. The third set of data is from the dynamic complete material test program, which uses a modified Split-Hopkinson Pressure Bar to induce dynamic compression and tension waves into cylindrical concrete specimens that generate strain-rates up to 400 s-1. The ensemble of data generated in these experiments provides a complete set of data that effectively describes the behavior of this concrete and can be used to develop a constitutive calculation model. In addition, the results of the tests show a significant effect of moisture on the strength and rheology of this concrete for quasi-static pressures greater than 50 MPa. Numerical drop test simulations with the developed constitutive model in the Lagrangian finite element code, LS-DYNA, show good agreement with the experimental results from a BAM research project. T2 - PATRAM 2010 - 16th International symposium on the packaging and transport of radioactive materials CY - London, UK DA - 2010-10-03 KW - Testing program KW - Concrete behavior KW - Static loads KW - Dynamic loads KW - KONRAD acceptance criteria KW - Ductile cast iron cask PY - 2010 SP - 1 EP - 8 (Session T40 / Paper 123) AN - OPUS4-23845 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Weber, Mike A1 - Völzke, Holger A1 - Zencker, Uwe A1 - Hauer, Katharina A1 - Herz, A. A1 - Kreienmeyer, M. T1 - Aufbau eines Aufprallfundamentes mit reproduzierbaren Eigenschaften für Baumusterprüfungen von Abfallbehältern für das Endlager Konrad N2 - Abgeleitet aus den in Teil 3 der „Systemanalyse Konrad“ definierten Lastannahmen für den „untertägigen Anlagenbereich“ müssen Verpackungen, die der Abfallbehälterklasse I (ABK I) mit dem zusätzlichen Merkmal der störfallfesten (sf) Verpackung oder der ABK II zugeordnet werden, gemäß den „Endlagerungsbedingungen, Endlager Konrad“, nach einem „…Fall aus 5 m Höhe auf eine unnachgiebige Unterlage…“ bestimmten Anforderungen genügen. Eine nähere Beschreibung der Prüfeinrichtung sowie die Definition detaillierter Anforderungen an das Aufprallfundament erfolgen in der „Produktkontrolle, Endlager Konrad“: „Die Prüfeinrichtung, bestehend aus einer Hebeeinrichtung und einem Fundament ist so zu gestalten, dass der Fall des Prüfmusters in jeder beliebigen Aufprallorientierung aus 5 m Höhe, gemessen von der Unterkante des Prüfmusters zum Fundament, möglich ist. Das Fundament ist aus Beton der Mindestgüte B 35 herzustellen und muss so beschaffen und verankert sein, dass keine Zerstörung in zahlreiche kleinere Bruchstücke erfolgt und keine horizontale Verschiebung des Fundamentes oder seiner Teile auftritt. Maße und Masse des Fundaments müssen so beschaffen sein, dass der Einfluss des Baugrundes unter dem Fundament auf den Aufprallwiderstand vernachlässigbar ist.“ Im Rahmen der Bauartprüfung für Behälter zur Endlagerung radioaktiver Abfälle mit zu vernachlässigender Wärmeentwicklung im Endlager Konrad wird die Bundesanstalt für Materialforschung und -prüfung (BAM) von der Bundesgesellschaft für Endlagerung (BGE) als Sachverständige hinzugezogen und ist in der Regel auch mit der Durchführung der notwendigen Fallprüfungen auf dem Testgelände Technische Sicherheit der BAM (BAM TTS) einschließlich der Bereitstellung der benötigten Prüfeinrichtungen sowie des regelkonformen Aufprallfundamentes beauftragt. Der Prozess, beginnend von der Gewährleistung einer von allen Beteiligten als gültig bewerteten Fallprüfung bis hin zur abschließenden Bewertung und Interpretation der Versuchsergebnisse erfordert dabei u.a. eine sorgfältige Planung und Fertigung der für das Endlager Konrad repräsentativen Fundamentplatte und deren Ankopplung an einen Untergrund im Sinne der „Regulations for the Safe Transport of Radioactive Material“ wie er zum Beispiel auf den beiden Fallversuchsanlagen des BAM Testgelände Technische Sicherheit (BAM TTS) zur Verfügung steht. Um diese Anforderungen zu erfüllen muss zum einen der Erhalt der Integrität der Fundamentplatte beim Fallversuch durch eine geeignete Auswahl und kraftflussgerechte Anordnung der Stabstahl-Bewehrung sowie deren Verankerung garantiert und damit eine unzulässige Energieaufnahme durch Risse sowie eine unzulässige „… Zerstörung (der Fundamentplatte) in zahlreiche kleinere Bruchstücke …“, wie in [3] gefordert, verhindert werden. Außerdem ist zu gewährleisten, dass der Beton die Anforderungen an die vorgeschriebene Mindestgüte bzw. -festigkeit zum Zeitpunkt der Fallprüfung erfüllt, die Betonfestigkeit jedoch zur Vermeidung unnötig verschärfter Prüfrandbedingungen eine zu definierende Obergrenze nicht überschreitet. Ausgehend von dem 2009 im Rahmen der KONTEC veröffentlichten Wissensstand präsentiert die BAM im vorliegenden Beitrag die wesentlichen Ergebnisse der zwischenzeitlich bei der Planung und Durchführung von zahlreichen Fallprüfungen gewonnenen Erfahrungen bzgl. Spezifikation und Fertigung der für die Fallversuche notwendigen Fundamentplatten sowie deren Anbindung an den Untergrund. Neben den immer wieder notwendigen Anstrengungen zur Gewährleistung einer im Rahmen der Definition korrekten Betondruckfestigkeit am Tag der Fallprüfung wird die Anpassung der Bewehrungsführung an verschiedene Fallpositionen diskutiert. Zur Ergänzung des gültigen Regelwerks entsteht parallel zu diesem Dokument eine Fachnotiz, in der BGE und BAM die Vorgaben und Spezifikationen zur regelwerkskonformen Herstellung und Montage von Fundamentplatten für Fallprüfungen im Rahmen der Behälterbauartprüfungsverfahren für das Endlager Konrad zusammenfassen und veröffentlichen werden. Diese Fachnotiz soll detaillierte Vorgaben und Spezifikationen zur Planung, Beauftragung, Herstellung und abschließenden Prüfung eines solchen Fundamentes und dessen Anbindung an den Untergrund enthalten. Damit soll allen beteiligten Organisationen wie Antragstellern, Sachverständigen und BGE ein langfristig verlässlicher Leitfaden im Hinblick auf die Durchführung anforderungsgerechter Fallprüfungen unter definierten und reproduzierbaren Randbedingungen im Rahmen der Bauartprüfungsverfahren für das Endlager Konrad an die Hand gegeben werden. T2 - KONTEC 2021 CY - Dresden, Germany DA - 25.08.2021 KW - Aufprallfundament KW - Endlager Konrad KW - Fallprüfung PY - 2021 SP - 1 EP - 10 CY - Dresden AN - OPUS4-53372 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fackeldey, K. A1 - Röhm, J. A1 - Niknejad, A. A1 - Chewle, Surahit A1 - Weber, M. T1 - Analyzing Raman spectral data without separabiliy assumption N2 - Raman spectroscopy is a well established tool for the analysis of vibration spectra, which then allow for the determination of individual substances in a chemical sample, or for their phase transitions. In the time-resolved-Raman-sprectroscopy the vibration spectra of a chemical sample are recorded sequentially over a time interval, such that conclusions for intermediate products (transients) can be drawn within a chemical process. The observed data-matrix M from a Raman spectroscopy can be regarded as a matrix product of two unknown matrices W and H, where the first is representing the contribution of the spectra and the latter represents the chemical spectra. One approach for obtaining W and H is the non-negative matrix factorization. We propose a novel approach, which does not need the commonly used separability assumption. The performance of this approach is shown on a real world chemical example. KW - Non-negative matrix factorization KW - NMF KW - Raman spectra KW - Separability condition KW - PCCA+ PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-559051 DO - https://doi.org/10.1007/s10910-020-01201-7 SN - 1572-8897 VL - 59 SP - 575 EP - 596 PB - Springer Science + Business Media CY - Dordrecht AN - OPUS4-55905 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wittig, Günther A1 - Beller, M. A1 - Leider, A. A1 - Stumm, W. A1 - Weber, H. P. T1 - Application of Reference Standards for Control of Eddy-Current Test Equipment T2 - Symposium on Eddy-Current Characterization of Materials and Structures CY - Gaithersburg, MD, USA DA - 1979-09-05 PY - 1981 N1 - Serientitel: ASTM special technical publication – Series title: ASTM special technical publication IS - 722 SP - 79 EP - 85 PB - ASTM CY - Philadelphia, PA, USA AN - OPUS4-33329 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ren, J. A1 - Weigert, Florian A1 - Weber, F. A1 - Wang, Y. A1 - Choudhury, S. A1 - Xiao, J. A1 - Lauermann, I. A1 - Resch-Genger, Ute A1 - Bande, A. A1 - Petit, T. ED - Petit, Tristan T1 - Influence of surface chemistry on optical, chemical and electronic properties of blue luminescent carbon dots N2 - Carbon dots have attracted much attention due to their unique optical, chemical and electronic properties enabling a wide range of applications. The properties of carbon dots can be effectively adjusted through modifying their chemical composition. However, a major challenge remains in understanding the core and surface contributions to optical and electronic transitions. Here, three blue luminescent carbon dots with carboxyl, amino and hydroxyl groups were comprehensively characterized by UV-vis absorption and emission spectroscopy, synchrotron-based X-ray spectroscopy, and infrared spectroscopy. The influence of the surface functionality on their fluorescence was probed by pH-dependent photoluminescence measurements. Moreover, the hydrogen bonding interactions between water and the surface groups of carbon dots were characterized by infrared spectroscopy. Our results show that both core and surface electronic states of blue luminescent carbon dots contribute to electronic acceptor levels while the chemical nature of the surface groups determines the hydrogen bonding behavior of the carbon dots. This comprehensive spectroscopic study demonstrates that the surface chemistry has a profound influence on the electronic configuration and surface–water interaction of carbon dots, thus affecting their photoluminescence properties. KW - Quantum dots KW - Spectroscopy KW - UV Vis KW - Fluorescence KW - Surface chemistry PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-472325 DO - https://doi.org/10.1039/c8nr08595a SN - 2040-3372 VL - 11 IS - 4 SP - 2056 EP - 2064 PB - RSC AN - OPUS4-47232 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kowarik, Stefan A1 - Weber, C. A1 - Pithan, L. A1 - Zykov, A. A1 - Bommel, S. A1 - Carla, F. A1 - Felici, R. A1 - Knie, C. A1 - Bléger, D. T1 - Multiple timescales in the photoswitching kinetics of crystalline thin films of azobenzene-trimers N2 - Functional materials that exhibit photoinduced structural phase transitions are highly interesting for applications in optomechanics and mechanochemistry. It is, however, still not fully understood how photochemical reactions, which are often accompanied by molecular motion, proceed in confined and crystalline environments. Here we show that thin films of azobenzene trimers exhibit high structural order and determine the crystallographic unit cell. We demonstrate that thin film can be switched partially reversibly between a crystalline and an amorphous phase. The time constant of the photoinduced amorphisation as measured with real-time x-ray diffraction ($\approx $ 220 s) lies between the two time constants (120 s and 2870 s) of the ensemble photoisomerisation processes that are measured via optical spectroscopy. Our observation of a photoinduced shrinking of the crystalline domains indicates a cascading process, in which photoisomerisation starts at the surface of the thin film and propagates deeper into the crystalline layer by introducing disorder and generating free volume. This finding is important for the rapidly evolving research field of photoresponsive thin films and smart crystalline materials in general. KW - Azobenzene PY - 2017 DO - https://doi.org/10.1088/1361-648X/aa8654 SN - 0953-8984 SN - 1361-648X VL - 29 IS - 43 SP - Article 434001, 1 EP - 8 AN - OPUS4-42501 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lüchtenborg, Jörg A1 - Kober, D. A1 - Weber, A. P. A1 - Melcher, J. A1 - Günster, Jens T1 - Textured dense zinc oxide layers for active noise canceling windows N2 - Dense ZnO films with a strong c‐axis texture have been deposited on transparent conductive oxide glass, glass, and Si wafers, respectively, with a two‐step pressureless wet chemical method using zinc acetate dihydrate as Zn‐precursor. The crystallographic structure of the films has been studied with XRD and scanning electron microscopy. Optical measurements reveal a high transparency of the ZnO films with a thickness of up to 10 μm. This new cost‐effective route for ZnO film deposition does not require expensive sophisticated equipment and is easily upscaled. KW - ZnO PY - 2019 DO - https://doi.org/10.1111/jace.15928 SN - 0002-7820 VL - 102 IS - 3 SP - 988 EP - 996 PB - Wiley AN - OPUS4-47519 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kern, Simon A1 - Wander, Lukas A1 - Meyer, Klas A1 - Guhl, Svetlana A1 - Gottu Mukkula, A. R. A1 - Holtkamp, M. A1 - Salge, M. A1 - Fleischer, C. A1 - Weber, N. A1 - Engell, S. A1 - Paul, Andrea A1 - Pereira Remelhe, M. A1 - Maiwald, Michael T1 - Flexible automation with compact NMR spectroscopy for continuous production of pharmaceuticals N2 - Modular plants using intensified continuous processes represent an appealing concept for the production of pharmaceuticals. It can improve quality, safety, sustainability, and profitability compared to batch processes; besides, it enables plug-and-produce reconfiguration for fast product changes. To facilitate this flexibility by real-time quality control, we developed a solution that can be adapted quickly to new processes and is based on a compact nuclear magnetic resonance (NMR) spectrometer. The NMR sensor is a benchtop device enhanced to the requirements of automated chemical production including robust evaluation of sensor data. Beyond monitoring the product quality, online NMR data was used in a new iterative optimization approach to maximize the plant profit and served as a reliable reference for the calibration of a near-infrared (NIR) spectrometer. The overall approach was demonstrated on a commercial-scale pilot plant using a metal-organic reaction with pharmaceutical relevance. KW - NMR Spectroscopy KW - NIR Spectroscopy KW - Real-time process monitoring KW - Real-time quality control KW - Continuous processes KW - CONSENS KW - Data Fusion PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-480623 DO - https://doi.org/10.1007/s00216-019-01752-y SN - 1618-2642 SN - 1618-2650 VL - 411 IS - 14 SP - 3037 EP - 3046 PB - Springer Nature CY - Heidelberg AN - OPUS4-48062 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Weber, Mike A1 - Völzke, Holger A1 - Zencker, Uwe A1 - Herz, A. A1 - Kreienmeyer, M. T1 - Design of a Drop Test Target with Reproducible Properties for Konrad Prototype Testing N2 - Beginning in 1976 the former iron ore mine Konrad was geologically investigated concerning its suitability as a location for a German final repository for low and intermediate level waste. After a comprehensive licensing procedure it was approved and is now being prepared and equipped for the planned start of storage in 2027. At the end of the 1980s, the requirements for waste containers for storage in this repository were defined for the first time on the basis of an incident analysis of the on-site handling procedures, beginning with the unloading of the packages after the arrival at the site up to the final positioning in the underground storage galleries. A 5-meter drop onto the rock ground of the mine was identified as the covering case for high mechanical requirements (ABK II container class). In contrast to the 9-meter drop according to the IAEA Regulations for the Safe Transport of Radioactive Material, the 5-meter drop is performed onto a hard but not essentially unyielding target. The container is typically not protected by an impact limiter. The requirements for a potential test facility are described in the regulations for the Konrad repository. The mechanical strength of the target is defined as a concrete strength equivalent to the identified properties of the rock ground of the mine. Since 1991 BAM has consistently used precast reinforced concrete slabs as target for drop tests in the framework of licensing procedures as well as in research projects. While the original design fulfilled the requirement for the integrity of the concrete slab in most cases, it failed when drop tests onto an edge of a container were performed. A redesigned concrete slab developed in a research project and suggested as a reference target in 2009 has been successfully used in Konrad licensing procedures since then. The paper gives a brief overview of the historical development and it describes BAM’s efforts and approaches to continuously guarantee a concrete slab of defined quality and to provide a test setup for valid drop tests from the applicants and the authorities view. T2 - PATRAM 2022, 20th International Symposium on the Packaging and Transportation of Radioactive Materials CY - Juan-les-Pins, France DA - 11.06.2023 KW - Target KW - Drop test KW - Final repository Konrad PY - 2023 SP - 1 EP - 11 AN - OPUS4-58563 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Weber, Mike A1 - Völzke, Holger A1 - Zencker, Uwe A1 - Hauer, Katharina A1 - Herz, A. A1 - Kreienmeyer, M. T1 - Aufbau eines Aufprallfundamentes mit reproduzierbaren Eigenschaften für Baumusterprüfungen von Abfallbehältern für das Endlager Konrad N2 - Abgeleitet aus den in Teil 3 der „Systemanalyse Konrad“ [1] definierten Lastannahmen für den „untertägigen Anlagenbereich“ müssen Verpackungen, die der Abfallbehälterklasse I (ABK I) mit dem zusätzlichen Merkmal der störfallfesten (sf) Verpackung oder der ABK II zugeordnet werden, gemäß den „Endlagerungsbedingungen, Endlager Konrad“ [2], nach einem „…Fall aus 5 m Höhe auf eine unnachgiebige Unterlage…“ bestimmten Anforderungen genügen. Eine nähere Beschreibung der Prüfeinrichtung sowie die Definition detaillierter Anforderungen an das Aufprallfundament erfolgen in der „Produktkontrolle, Endlager Konrad“ [3]: „Die Prüfeinrichtung, bestehend aus einer Hebeeinrichtung und einem Fundament ist so zu gestalten, dass der Fall des Prüfmusters in jeder beliebigen Aufprallorientierung aus 5 m Höhe, gemessen von der Unterkante des Prüfmusters zum Fundament, möglich ist. Das Fundament ist aus Beton der Mindestgüte B 35 herzustellen und muss so beschaffen und verankert sein, dass keine Zerstörung in zahlreiche kleinere Bruchstücke erfolgt und keine horizontale Verschiebung des Fundamentes oder seiner Teile auftritt. Maße und Masse des Fundaments müssen so beschaffen sein, dass der Einfluss des Baugrundes unter dem Fundament auf den Aufprallwiderstand vernachlässigbar ist.“ Im Rahmen der Bauartprüfung für Behälter zur Endlagerung radioaktiver Abfälle mit zu vernachlässigender Wärmeentwicklung im Endlager Konrad wird die Bundesanstalt für Materialforschung und -prüfung (BAM) von der Bundesgesellschaft für Endlagerung (BGE) als Sachverständige hinzugezogen und ist in der Regel auch mit der Durchführung der notwendigen Fallprüfungen auf dem Testgelände Technische Sicherheit der BAM (BAM TTS) einschließlich der Bereitstellung der benötigten Prüfeinrichtungen sowie des regelkonformen Aufprallfundamentes beauftragt. Der Prozess, beginnend von der Gewährleistung einer von allen Beteiligten als gültig bewerteten Fallprüfung bis hin zur abschließenden Bewertung und Interpretation der Versuchsergebnisse erfordert dabei u.a. eine sorgfältige Planung und Fertigung der für das Endlager Konrad repräsentativen Fundamentplatte und deren Ankopplung an einen Untergrund im Sinne der „Regulations for the Safe Transport of Radioactive Material“ [4], [5] wie er zum Beispiel auf den beiden Fallversuchsanlagen des BAM Testgelände Technische Sicherheit (BAM TTS) zur Verfügung steht. Um diese Anforderungen zu erfüllen muss zum einen der Erhalt der Integrität der Fundamentplatte beim Fallversuch durch eine geeignete Auswahl und kraftflussgerechte Anordnung der Stabstahl-Bewehrung sowie deren Verankerung garantiert und damit eine unzulässige Energieaufnahme durch Risse sowie eine unzulässige „… Zerstörung (der Fundamentplatte) in zahlreiche kleinere Bruchstücke …“, wie in [3] gefordert, verhindert werden. Außerdem ist zu gewährleisten, dass der Beton die Anforderungen an die vorgeschriebene Mindestgüte bzw. -festigkeit zum Zeitpunkt der Fallprüfung erfüllt, die Betonfestigkeit jedoch zur Vermeidung unnötig verschärfter Prüfrandbedingungen eine zu definierende Obergrenze nicht überschreitet. Ausgehend von dem 2009 im Rahmen der KONTEC veröffentlichten Wissensstand [6] präsentiert die BAM im vorliegenden Beitrag die wesentlichen Ergebnisse der zwischenzeitlich bei der Planung und Durchführung von zahlreichen Fallprüfungen gewonnenen Erfahrungen bzgl. Spezifikation und Fertigung der für die Fallversuche notwendigen Fundamentplatten sowie deren Anbindung an den Untergrund. Neben den immer wieder notwendigen Anstrengungen zur Gewährleistung einer im Rahmen der Definition korrekten Betondruckfestigkeit am Tag der Fallprüfung wird die Anpassung der Bewehrungsführung an verschiedene Fallpositionen diskutiert. Zur Ergänzung des gültigen Regelwerks entsteht parallel zu diesem Dokument eine Fachnotiz, in der BGE und BAM die Vorgaben und Spezifikationen zur regelwerkskonformen Herstellung und Montage von Fundamentplatten für Fallprüfungen im Rahmen der Behälterbauartprüfungsverfahren für das Endlager Konrad zusammenfassen und veröffentlichen werden. Diese Fachnotiz soll detaillierte Vorgaben und Spezifikationen zur Planung, Beauftragung, Herstellung und abschließenden Prüfung eines solchen Fundamentes und dessen Anbindung an den Untergrund enthalten. Damit soll allen beteiligten Organisationen wie Antragstellern, Sachverständigen und BGE ein langfristig verlässlicher Leitfaden im Hinblick auf die Durchführung anforderungsgerechter Fallprüfungen unter definierten und reproduzierbaren Randbedingungen im Rahmen der Bauartprüfungsverfahren für das Endlager Konrad an die Hand gegeben werden. T2 - KONTEC 2021 CY - Dresden, Germany DA - 25.08.2021 KW - Endlager Konrad KW - Fallprüfung KW - Aufprallfundament PY - 2021 AN - OPUS4-53374 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mujica Roncery, L. A1 - Agudo Jácome, Leonardo A1 - Aghajani, A. A1 - Theisen, W. A1 - Weber, S. T1 - Subsurface characterization of high-strength high-interstitial austenitic steels after impact wear N2 - The microstructure of the subsurface after impact wear of three high-strength high interstitial austenitic steels has been analysed using transmission electron microscopy (TEM) in alloys with C and N as interstitial elements. In all cases, a nanocrystalline region followed by a transition zone and a cold-worked area are present. Additionally, microhardness and nano-scratching tests were conducted to study the wear-related properties of the impact subsurface and the base material. The results of the microstructural analysis reveal that the following mechanisms are involved during impact wear: abrasion (ploughing), microcrack formation associated with contact fatigue, entrapment and adhesion of SiO2 particles. The analysis of the wear-related properties indicates that the subsurface acts as a self-protective layer that prevents the deterioration of the substrate. KW - Impact wear KW - TEM KW - Nano-scratch test KW - High interstitial austenitic steel PY - 2018 DO - https://doi.org/10.1016/j.wear.2018.02.016 SN - 0043-1648 VL - 402-403 SP - 137 EP - 147 PB - Elsevier B.V. CY - Amsterdam AN - OPUS4-44290 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kern, Simon A1 - Wander, Lukas A1 - Meyer, Klas A1 - Guhl, Svetlana A1 - Gottu Mukkula, A. R. A1 - Holtkamp, M. A1 - Salge, M. A1 - Fleischer, C. A1 - Weber, N. A1 - King, R. A1 - Engell, S. A1 - Paul, Andrea A1 - Pereira Remelhe, M. A1 - Maiwald, Michael T1 - Flexible Automation with compact NMR instruments N2 - Modular plants using intensified continuous processes represent an appealing concept to produce pharmaceuticals. It can improve quality, safety, sustainability, and profitability compared to batch processes, and it enables plug-and-produce reconfiguration for fast product changes. To facilitate this flexibility by real-time quality control, we developed a solution that can be adapted quickly to new processes and includes a compact Nuclear Magnetic Resonance (NMR) spectrometer for online quality monitoring as well as a new model-based control approach. The NMR sensor is a benchtop device enhanced to the requirements of automated chemical production including ro-bust evaluation of sensor data. Here, we present alternatives for the quantitative determination of the analytes using modular, physically motivated models. These models can be adapted to new substances solely by the use of their corresponding pure component spectra, which can either be derived from experimental spectra as well as from quantum mechanical models or NMR predictors. Modular means that spec-tral models can simply be exchanged together with alternate reagents and products. Beyond that, we comprehensively calibrated an NIR spectrometer based on online NMR process data for the first time within an industrial plant. The integrated solution was developed for a metal organic reac-tion running on a commercial-scale modular pilot plant and it was tested under industrial conditions. T2 - 7th Annual PANIC Conference CY - Hilton Head Island, South Carolina, USA DA - 03.03.2019 KW - Online NMR Spectroscopy PY - 2019 AN - OPUS4-47715 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Kern, Simon A1 - Wander, Lukas A1 - Meyer, Klas A1 - Guhl, Svetlana A1 - Gottu Mukkula, A. R. A1 - Holtkamp, M. A1 - Salge, M. A1 - Fleischer, C. A1 - Weber, N. A1 - Engell, S. A1 - Paul, Andrea A1 - King, R. A1 - Maiwald, Michael T1 - Raw data of pilot plant runs for CONSENS project (Case study 1) N2 - In case study one of the CONSENS project, two aromatic substances were coupled by a lithiation reaction, which is a prominent example in pharmaceutical industry. The two aromatic reactants (Aniline and o-FNB) were mixed with Lithium-base (LiHMDS) in a continuous modular plant to produce the desired product (Li-NDPA) and a salt (LiF). The salt precipitates which leads to the formation of particles. The feed streams were subject to variation to drive the plant to its optimum. The uploaded data comprises the results from four days during continuous plant operation time. Each day is denoted from day 1-4 and represents the dates 2017-09-26, 2017-09-28, 2017-10-10, 2017-10-17. In the following the contents of the files are explained. KW - Process Analytical Technology KW - Multivariate Data Analysis KW - Nuclear Magnetic Resonance KW - Near Infrared Spectroscopy KW - Continuous Manufacturing KW - CONSENS PY - 2018 DO - https://doi.org/10.5281/zenodo.1438233 PB - Zenodo CY - Geneva AN - OPUS4-48063 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -