TY - JOUR A1 - Schmidinger, J. A1 - Barkov, V. A1 - Tavakoli, H. A1 - Correa, J. A1 - Ostermann, Markus A1 - Atzmueller, M. A1 - Gebbers, R. A1 - Vogel, S. T1 - Which and how many soil sensors are ideal to predict key soil properties: A case study with seven sensors N2 - Soil sensing enables rapid and cost-effective soil analysis. However, a single sensor often does not generate enough information to reliably predict a wide range of soil properties. Within a case-study, our objective was to identify how many and which combinations of soil sensors prove to be suitable for high-resolution soil mapping. On a subplot of an agricultural field showing a high spatial soil variability, six in-situ proximal soil sensors (PSSs) next to remote sensing (RS) data from Sentinel-2 were evaluated based on their capabilities to predict a set of soil properties including: soil organic carbon, pH, moisture as well as plant-available phosphorus, magnesium and potassium. The set of PSSs consisted of ion-selective pH electrodes, a capacitive soil moisture sensor, an apparent soil electrical conductivity measuring system as well as passive gamma-ray-, X-ray fluorescence- and nearinfrared spectroscopy. All possible combinations of sensors were exhaustively evaluated and ranked based on their predict KW - XRF KW - Soil KW - Remote Sensing KW - Precision agriculture PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-613920 DO - https://doi.org/10.1016/j.geoderma.2024.117017 VL - 450 SP - 1 EP - 17 PB - Elsevier B.V. AN - OPUS4-61392 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Paulisch-Rinke, M. C. A1 - Manzoni, Anna Maria A1 - Agudo Jácome, Leonardo A1 - Vogel, F. A1 - Reimers, W. T1 - Influence of chemical composition on microstructure and mechanical properties in the extruded aluminum alloys 7021B and 7175 N2 - The aim of this study is to improve the mechanical properties of Al 7xxx series alloys by achieving the strengthening benefits typically provided by Cu while avoiding the formation of low-melting eutectic phases associated with excessive Cu content. This is accomplished through a tailored combination of alloying elements and optimized thermomechanical treatments. Alloys 7021B (high Zn content) and 7175 (high Cu and Mg content) are analyzed and optimized threefold in this study: the heat treatment, the microstructural evolution and the mechanical properties are investigated by several methods and compared with the aim of improving the process parameters for subsequent application. The peak-aging process is optimized via compression tests to overcome the strength-ductility trade-off. Microstructure and phase chemistry analyses by transmission electron microscopy and atom probe tomography enable a better understanding of the underlying morphological features such as the spatial distribution, and the chemical composition of the hardening phases. The mechanical properties of the peak-aged alloys are determined by compression and tensile tests. Both alloys exhibit very high strength – even by 7xxx series standards. It can be traced back to the dislocation movement: it is impeded both by homogeneously distributed cuttable Guinier–Preston zones in both alloys and by non-cuttable η’ precipitates. As a result, we demonstrate that alloy 7021B offers novel possibilities for processing and industrial application: high strength, typically associated with Cu containing alloys, can also be obtained in Cu free alloys, if the Zn content is sufficiently high. We can thus suggest new opportunities for processing and industrial applications by reducing the risk of forming low-melting eutectic phases. KW - Aluminium alloys KW - Transmission electron microscopy KW - Atom probe tomography KW - Extrusion KW - Mechanical properties PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640338 DO - https://doi.org/10.1016/j.matdes.2025.114649 SN - 0264-1275 VL - 258 SP - 1 EP - 11 PB - Elsevier Ltd. AN - OPUS4-64033 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogel, F. A1 - Cheng, J. A1 - Liang, S. B. A1 - Ke, C. B. A1 - Cao, S. S. A1 - Zhang, X. P. A1 - Zizak, I. A1 - Manzoni, Anna Maria A1 - Yu, J. M. A1 - Wanderka, N. A1 - Li, W. T1 - Formation and evolution of hierarchical microstructures in a Ni-based superalloy investigated by in situ high-temperature synchrotron X-ray diffraction N2 - Hierarchical microstructures are created when additional γ particles form in γ’ precipitates and they are linked to improved strength and creep properties in high-temperature alloys. Here, we follow the formation and evolution of a hierarchical microstructure in Ni86.1Al8.5Ti5.4 by in situ synchrotron X-ray diffraction at 1023 K up to 48 h to derive the lattice parameters of the γ matrix, γ’ precipitates and γ particles and misfits between phases. Finite element method-based computer simulations of hierarchical microstructures allow obtaining each phase's lattice parameter, thereby aiding peak identification in the in situ X-ray diffraction data. The simulations further give insight into the heterogeneous strain distribution between γ’ precipitates and γ particles, which gives rise to an anisotropic diffusion potential that drives the directional growth of γ particles. We rationalize a schematic model for the growth of γ particles, based on the Gibbs-Thomson effect of capillary and strain-induced anisotropic diffusion potentials. Our results highlight the importance of elastic properties, elastic anisotropy, lattice parameters, and diffusion potentials in controlling the behavior and stability of hierarchical microstructures. KW - XRD KW - Superalloy KW - Finite element method KW - Transmission electron microscopy PY - 2022 DO - https://doi.org/10.1016/j.jallcom.2022.165845 SN - 0925-8388 VL - 919 SP - 1 EP - 17 PB - Elsevier CY - Lausanne AN - OPUS4-55394 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - INPR A1 - Vogel, Christian A1 - Helfenstein, J. A1 - Massey, M. A1 - Kretzschmar, R. A1 - Schade, U. A1 - Verel, R. A1 - Chadwick, O. A1 - Frossard, E. T1 - Spectroscopic analysis shows crandallite can be a major component of soil phosphorus N2 - Phosphorus (P) bioavailability is crucial for the productivity of natural and agricultural ecosystems, and soil P speciation plays a major role therein. Better understanding of P forms present in soil is thus essential to predict bioavailability. Most studies on soil P forms differentiate between Ca-bound P (e.g. apatite), organic P, Fe-bound P, and Al-bound P. In our analysis of a Ca, Al, and P rich soil from the Kohala region of Hawaii, we identified the mineral crandallite, CaAl3(PO4)2(OH)5∙H2O, a mineral previously not considered to play a significant role in soils. Crandallite was first identified with powder X-ray diffraction, and then confirmed with microfocused P K-edge X-ray absorption near edge structure (XANES) spectroscopy, micro-infrared spectroscopy, and solid-state 31P nuclear magnetic resonance (NMR) spectroscopy. Crandallite XANES spectra were distinct from other common XANES spectra due to the presence of features in the post-edge region of the spectrum. Linear combination fitting of bulk P K-edge XANES spectra allowed the determination of the proportion of crandallite to the total P content, indicating that crandallite comprises up to half, possibly even more of the soil P in the samples. Crandallite is therefore an important and potentially overlooked component of soil P, which pedogenically forms in soils with high P, Al, and Ca contents, where it likely plays an important role in P bioavailability. KW - Phosphor KW - XANES spectrosocpy KW - infrared spectroscopy PY - 2025 DO - https://doi.org/10.2139/ssrn.5556609 SP - 1 EP - 31 PB - SRN AN - OPUS4-64739 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Holm, O. A1 - Leube, Peter A1 - Vogel, Christian A1 - Kennedy, E. A1 - Stockenhuber, M. A1 - Lucas, J. A1 - Truong, T. A1 - Rappé, A. A1 - Lu, W. A1 - Blotevogel, J. T1 - Thermische Zerstörung von PFAS in der Sondermüllverbrennung: Einfluss von Temperatur und PFAS-Konzentration N2 - Aufgrund ihrer einzigartigen molekularen Beschaffenheit werden per- und polyfluorierte Alkylsubstanzen (PFAS) in vielen unterschiedlichen Produkten und Anwendungsgebieten eingesetzt. Da sie generell eine hohe Persistenz aufweisen und je nach individueller Struktur unterschiedlich mobil sind, sind sie mittlerweile in allen Umweltkompartimenten und ubiquitär nachzuweisen. Ihre potenzielle (ökologische) Toxizität birgt dabei erhebliche Umweltrisiken, weshalb PFAS in den letzten Jahren mehr und mehr in den Fokus von Umweltverbänden und -behörden gelangten. Gleichzeitig beschäftigen sich Forschungseinrichtungen mit der möglichst weitreichenden Entfernung aus der Umwelt sowie mit deren (anschließender) Zerstörung. Im Projekt ER24-4073 „Untersuchung des thermischen Abbaus von PFAS in einer kommerziellen Großanlage zur Verbrennung gefährlicher Abfälle“, welches vom U.S. Department of Defense (DoD ) über das Strategic Environmental Research and Development Program (SERDP) gefördert wird, untersuchen deutsche, australische und amerikanische Partner die Behandlung von PFAS-haltigen Abfallströmen in einer großtechnischen Verbrennungsanlage, um die Einsatzbereitschaft, Machbarkeit und Sicherheit dieser Zerstörungsmethode zu demonstrieren. T2 - Berliner Konferenz Abfallwirtschaft und Energie CY - Berlin, Germany DA - 28.01.2026 KW - Per- and polyfluoroalkyl substances (PFAS) KW - Verbrennung KW - Kontaminierter Boden PY - 2026 SN - 978-3-911006-65-1 SP - 66 EP - 77 PB - TK Verlag AN - OPUS4-65513 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Herzel, Hannes A1 - Dombinov, V. A1 - Vogel, Christian A1 - Willbold, S. A1 - Levandowski, G. V. A1 - Meiller, M. A1 - Müller, F. A1 - Zang, J. W. A1 - da Fonseca-Zang, W. A. A1 - Jablonowski, N. D. A1 - Schrey, S. D. A1 - Adam, Christian T1 - Soybean Fertilized by P-Phases from Bagasse-Based Materials: P-Extraction Procedures, Diffusive Gradients in Thin Films (DGT), and X-ray Diffraction Analysis (XRD) N2 - The Brazilian sugarcane industry produced around 173 million tons (Mt) of bagasse in 2018. Bagasse is a by-product of juice extraction for ethanol and sugar production and is combusted in order to generate power, producing up to 10 Mt of ash per year. This ash contains various concentrations of plant nutrients, which allow the ash to be used as a crop fertilizer. However, the concentration and extractability of phosphorus (P), an essential plant nutrient, are low in bagasse ash. To increase the P content, we co-gasified and co-combusted bagasse with P-rich chicken manure. The resulting ash was thermochemically post-treated with alkali additives (Na2SO4 and K2SO4) to increase the availability of P to plants. We aimed to: (i) investigate the effect of thermochemical post-treatment of co-gasification residue and co-combustion ash on P availability to soybeans, (ii) explore the potential of chemical extraction methods (citric acid, neutral ammonium citrate, formic acid, and Mehlich-I) and diffusive gradients in thin films (DGT) to predict the availability of P to soybeans, and (iii) identify the responsible P-phases using X-ray diffraction . We evaluated P availability to soybeans growing in Brazilian Oxisol soil in two independent greenhouse pot experiments. The positive effect of thermochemical treatment on P availability from gasification residue was confirmed through the observation of increased P uptake and biomass in soybean plants. These findings were confirmed by chemical extraction methods and DGT. The gasification residue contained whitlockite as its main P-bearing phase. Thermochemical post-treatment converted whitlockite into highly soluble CaNaPO4. In contrast, co-combustion ash already contained highly soluble Ca(Na,K)PO4 as its main P-bearing phase, making thermochemical post-treatment unnecessary for increasing P availability. In conclusion, increased extractability and availability of P for soybeans were closely connected to the formation of calcium alkali phosphate. Our findings indicate that this combined methodology allows for the prediction of P-fertilization effects of ash. KW - Sugar cane bagasse KW - Chicken manure ash KW - Thermochemical treatment KW - Nutrient KW - Plant availability PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-509735 DO - https://doi.org/10.3390/agronomy10060895 VL - 10 SP - 895 EP - 6 PB - MDPI AN - OPUS4-50973 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogel, Christian A1 - Ramsteiner, M. A1 - Sekine, R. A1 - Doolette, A. A1 - Adam, Christian T1 - Characterization of phosphorus compounds in soils by deep ultraviolet (DUV) Raman microspectroscopy N2 - Deep ultraviolet Raman microspectroscopy was successfully investigated as a new approach to analyze the chemical state of phosphorus compounds directly in soil. We demonstrate that ultraviolet excitation has the advantage to avoid the interference with the strong fluorescence, which occurs in the visible spectral range caused by organic matter in soils. Furthermore, the spatial resolution of <1 μm2 enables the detection of very small phosphorus particles. For some organic phosphorus compounds (β-glycerophosphate, aminomethylphosphonic acid), sample cooling to -100 °C is found to strongly reduce the rate of degradation induced by the illumination with the ultraviolet excitation light. However, phytic acid and adenosine monophosphate degraded even with cooling. Our results reveal the capability of deep ultraviolet Raman microspectroscopy as a high-resolution benchtop imaging technique for the analysis of local interactions between soil compounds with the potential to become an analytical key to improve the understanding of transformation mechanisms of phosphates as well as other mineral phases in soils. KW - Phosphorus speciation KW - Deep ultraviolet (DUV) Raman microspectroscopy KW - Soil PY - 2017 DO - https://doi.org/10.1002/jrs.5115 SN - 0377-0486 VL - 48 IS - 6 SP - 867 EP - 871 PB - Wiley AN - OPUS4-40508 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogel, Christian A1 - Adam, Christian A1 - Unger, M. T1 - Heavy metal removal from sewage sludge ash analyzed by thermogravimetry N2 - A high temperature (1000 °C) thermochemical process for heavy metal removal from sewage sludge ash via the chloride pathway was investigated by thermogravimetry/differential thermal analysis (TG/DTA). TG and DTA measurements gave information about secession and evaporation of water, HCl, and heavy metal chlorides at different temperatures. Additionally, gaseous water and hydrochloric acid which occurred in the process were detected by an FT-IR detector that was coupled to the TG/DTA-system. Heavy metal chlorides which were also formed in the process cannot be detected by this technique. For that reason the outlet gas of the TG/DTA-system was discharged into washing flasks filled with water for absorption. The washing flasks were replaced in temperature steps of 50 °C and the heavy metal concentrations of the solutions were determined by ICP-OES. The temperature-dependent formation/evaporation of different heavy metal chlorides was analyzed and compared for two different thermochemical processes using magnesium chloride hydrate or calcium chloride hydrate as Cl-donors. In both cases evaporation of Cd, Cu, Pb, and Zn was observed from 600 °C, whereas As, Cr, and Ni remained in the solid state. The results were discussed against the background of thermodynamic calculations. KW - Sewage sludge ash KW - Heavy metal chloride KW - Thermodynamic simulation KW - Thermogravimetry/FT-IR PY - 2011 DO - https://doi.org/10.1007/s10973-010-0966-7 SN - 1388-6150 SN - 1418-2874 SN - 0368-4466 SN - 1572-8943 VL - 103 SP - 243 EP - 248 PB - Kluwer Academic Publ. CY - Dordrecht AN - OPUS4-23157 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogel, Christian A1 - Helfenstein, J. A1 - Massey, M. A1 - Kretzschmar, R. A1 - Schade, U. A1 - Verel, R. A1 - Chadwick, O. A1 - Frossard, E. T1 - Spectroscopic analysis shows crandallite can be a major component of soil phosphorus N2 - Phosphorus (P) bioavailability is crucial for the productivity of natural and agricultural ecosystems, and soil P speciation plays a major role therein. Better understanding of P forms present in soil is thus essential to predict bioavailability. However, P speciation studies are only as powerful as the reference spectra used to interpret them, and most studies rely on a limited set of reference spectra. Most studies on soil P forms differentiate between Ca-bound P (e.g. apatite), organic P, Fe-bound P, and Al-bound P. In our analysis of a Ca, Al, and P rich soil from the Kohala region of Hawaii, we identified the mineral crandallite, CaAl3(PO4)2(OH)5·H2O, a mineral previously not considered to play a significant role in soils. Crandallite was first identified with powder X-ray diffraction. Subsequently reference spectra were collected, and the presence of crandallite was confirmed using micro-focused P K-edge X-ray absorption near edge structure (XANES) spectroscopy, micro-infrared spectroscopy, and solid-state 31P nuclear magnetic resonance (NMR) spectroscopy. Crandallite XANES spectra were distinct from other common XANES spectra due to the presence of features in the post-edge region of the spectrum. Linear combination fitting of bulk P K-edge XANES spectra allowed the determination of the proportion of crandallite to the total P content, indicating that crandallite comprises up to half, possibly even more of the soil P in the samples. Crandallite is therefore an important and potentially overlooked component of soil P, which pedogenically forms in soils with high P, Al, and Ca contents, where it could play an important role in P bioavailability. KW - Phosphorus KW - XANES spectrosocpy KW - Infrared spectroscopy KW - NMR spectrocopy PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654968 DO - https://doi.org/10.1016/j.geoderma.2026.117712 SN - 0016-7061 VL - 467 SP - 1 EP - 10 PB - Elsevier B.V. AN - OPUS4-65496 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogel, Christian A1 - Helfenstein, J. A1 - Massey, M. A1 - Sekine, R. A1 - Kretzschmar, R. A1 - Beiping, L. A1 - Peter, T. A1 - Chadwick, O. A1 - Tamburini, F. A1 - Rivard, C. A1 - Herzel, Hannes A1 - Adam, Christian A1 - Pradas del Real, A. A1 - Castillo-Michel, H. A1 - Zuin, L. A1 - Wang, D. A1 - Félix, R. A1 - Lassalle-Kaiser, B. A1 - Frossard, E. T1 - Microspectroscopy reveals dust-derived apatite grains in acidic, highly-weathered Hawaiian soils N2 - Dust deposition is an important source of phosphorus (P) to many ecosystems. However, there is little evidence of dust-derived P-containing minerals in soils. Here we studied P forms along a well-described climatic Gradient on Hawaii, which is also a dust deposition gradient. Soil mineralogy and soil P forms from six sites along the climatic gradient were analyzed with bulk (X-ray diffraction and P K-edge X-ray absorption near edge structure) and microscale (X-ray fluorescence, P K-edge X-ray absorption near edge structure, and Raman) analysis methods. In the wettest soils, apatite grains ranging from 5 to 30 μm in size were co-located at the micro-scale with quartz, a known continental dust indicator suggesting recent atmospheric deposition. In addition to co-location with quartz, further evidence of dust-derived P included backward trajectory modeling indicating that dust particles could be brought to Hawaii from the major global dust-loading areas in central Asia and northern Africa. Although it is not certain whether the individual observed apatite grains were derived from long-distance transport of dust, or from local dust sources such as volcanic ash or windblown fertilizer, these observations offer direct evidence that P-containing minerals have reached surface layers of highly-weathered grassland soils through atmospheric deposition. KW - Phosphorus KW - soil KW - microspectroscopy KW - Raman spectroscopy KW - XANES spectroscopy KW - x-ray diffraction PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-511522 DO - https://doi.org/10.1016/j.geoderma.2020.114681 SN - 0166-0918 SN - 1872-6259 VL - 381 SP - 114681-1 EP - 114681-11 PB - Elsevier CY - Amsterdam AN - OPUS4-51152 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogel, Stefanie A1 - Ebel, Kenny A1 - Schürmann, Robin M. A1 - Heck, Christian A1 - Meiling, T. A1 - Milosavljevic, A. A1 - Giuliani, A. A1 - Bald, Ilko T1 - Vacuum-UV and low-energy electron induced DNA strand breaks - Influence of the DNA sequence and substrate N2 - DNA is effectively damaged by radiation, which can on the one hand lead to cancer and is on the other hand directly exploited in the treatment of tumor tissue. DNA strand breaks are already induced by photons having an energy below the ionization energy of DNA. At high photon energies, most of the DNA strand breaks are induced by low-energy secondary electrons. In the present study we quantified photon and electron induced DNA strand breaks in four different 12mer oligonucleotides. They are irradiated directly with 8.44 eV vacuum ultraviolet (VUV) photons and 8.8 eV low energy electrons (LEE). By using Si instead of VUV transparent CaF2 as a substrate the VUV exposure leads to an additional release of LEEs, which have a maximum energy of 3.6 eV and can significantly enhance strand break cross sections. Atomic force microscopy is used to visualize strand breaks on DNA origami platforms and to determine absolute values for the strand break cross sections. Upon irradiation with 8.44 eV photons all the investigated sequences show very similar strand break cross sections in the range of 1.7 - 2.3 x 10-16 cm2. The strand break cross sections for LEE irradiation at 8.8 eV are one to two orders of magnitude larger than the ones for VUV photons, and a slight sequence dependence is observed. The sequence dependence is even more pronounced for LEEs with energies < 3.6 eV. The present results help to assess DNA damage by photons and electrons close to the ionization threshold. KW - Vacuum-UV KW - Low-Energy KW - DNA KW - DNA-Sequence PY - 2019 DO - https://doi.org/10.1002/cphc.201801152 SN - 1439-7641 VL - 20 IS - 6 SP - 823 EP - 830 PB - WILEY-VCH Verlag GmbH & Co. KGaA CY - Weinheim AN - OPUS4-47464 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogel, Stefanie A1 - Ebel, Kenny A1 - Schürmann, Robin M. A1 - Miloavljevic, A. R. A1 - Guliani, A. A1 - Bald, Ilko T1 - Vacuum-UV induced DNA strand breaks – influence of the radiosensitizers 5-bromouracil and 8-bromoadenine N2 - Radiation therapy is a basic part of cancer treatment. To increase the DNA damage in carcinogenic cells and preserve healthy tissue at the same time, radiosensitizing molecules such as halogenated nucleobase analogs can be incorporated into the DNA during the cell reproduction cycle. In the present study 8.44 eV photon irradiation induced single strand breaks (SSB) in DNA sequences modified with the radiosensitizer 5-bromouracil (5BrU) and 8-bromoadenine (8BrA) are investigated. 5BrU was incorporated in the 13mer oligonucleotide flanked by different nucleobases. It was demonstrated that the highest SSB cross sections were reached, when cytosine and thymine were adjacent to 5BrU, whereas guanine as a neighboring nucleobase decreases the activity of 5BrU indicating that competing reaction mechanisms are active. This was further investigated with respect to the distance of guanine to 5BrU separated by an increasing number of adenine nucleotides. It was observed that the SSB cross sections were decreasing with an increasing number of adenine spacers between guanine and 5BrU until the SSB cross sections almost reached the level of a non-modified DNA sequence, which demonstrates the high sequence dependence of the sensitizing effect of 5BrU. 8BrA was incorporated in a 13mer oligonucleotide as well and the strand breaks were quantified upon 8.44 eV photon irradiation in direct comparison to a non-modified DNA sequence of the same composition. No clear enhancement of the SSB yield of the modified in comparison to the non-modified DNA sequence could be observed. Additionally, secondary electrons with a maximum energy of 3.6 eV were generated when using Si as a substrate giving rise to further DNA damage. A clear enhancement in the SSB yield can be ascertained, but to the same degree for both the non-modified DNA sequence and the DNA sequence modified with 8BrA. KW - Vacuum-UV KW - 5-bromouracil KW - 8-bromoadenine PY - 2019 DO - https://doi.org/10.1039/c8cp06813e SN - 1463-9084 VL - 21 IS - 4 SP - 1972 EP - 1979 PB - RSC AN - OPUS4-47462 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zhou, X. A1 - Wei, Y. A1 - Kühbach, M. A1 - Zhao, H. A1 - Vogel, F. A1 - Darvishi Kamachali, Reza A1 - Thompson, G. B. A1 - Raabe, D. A1 - Gault, B. T1 - Revealing in-plane grain boundary composition features through machine learning from atom probe tomography data N2 - Grain boundaries (GBs) are planar lattice defects that govern the properties of many types of polycrystalline materials. Hence, their structures have been investigated in great detail. However, much less is known about their chemical features, owing to the experimental difficulties to probe these features at the atomic length scale inside bulk material specimens. Atom probe tomography (APT) is a tool capable of accomplishing this task, with an ability to quantify chemical characteristics at near-atomic scale. Using APT data sets, we present here a machine-learning-based approach for the automated quantification of chemical features of GBs. We trained a convolutional neural network (CNN) using twenty thousand synthesized images of grain interiors, GBs, or triple junctions. Such a trained CNN automatically detects the locations of GBs from APT data. Those GBs are then subjected to compositional mapping and analysis, including revealing their in-plane chemical decoration patterns. We applied this approach to experimentally obtained APT data sets pertaining to three case studies, namely, Ni-P, Pt-Au, and Al-Zn-Mg-Cu alloys. In the first case, we extracted GB specific segregation features as a function of misorientation and coincidence site lattice character. Secondly, we revealed interfacial excesses and in-plane chemical features that could not have been found by standard compositional analyses. Lastly, we tracked the temporal evolution of chemical decoration from early-stage solute GB segregation in the dilute limit to interfacial phase separation, characterized by the evolution of complex composition patterns. This machine-learning-based approach provides quantitative, unbiased, and automated access to GB chemical analyses, serving as an enabling tool for new discoveries related to interface thermodynamics, kinetics, and the associated chemistry-structure-property relations. KW - Machine learning KW - Digitalization KW - Alloy microstructure PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-543049 DO - https://doi.org/10.1016/j.actamat.2022.117633 SN - 1359-6454 VL - 226 SP - 1 EP - 15 PB - Elsevier CY - Amsterdam AN - OPUS4-54304 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vo, P. H.N. A1 - Vogel, Christian A1 - Nguyen, H. T.M. A1 - Hamilton, B. R. A1 - Thai, P. K. A1 - Roesch, Philipp A1 - Simon, Franz-Georg A1 - Mueller, J. F. T1 - µ-X-ray fluorescence (XRF) and fluorine K-edge µ-X-ray absorption near-edge structure (XANES) spectroscopy for detection of PFAS distribution in the impacted concrete N2 - An improved understanding of the distribution of per- and polyfluoroalkyl substances (PFAS) in PFAS-impacted concrete is important for risk management and decontamination of PFAS. This study incorporates µ-X-ray fluorescence (µ-XRF) and fluorine K-edge µ-X-ray absorption near-edge structure (µ-XANES) spectroscopy to gain non-destructive insights into PFAS distribution in the impacted concrete. The μ-XRF and μ-XANES spectroscopy provided additional details on the detection of PFAS, which were not detected by the desorption electrospray ionization (DESI) imaging method conducted previously. The shorter chain PFAS were found on the top part of the concrete core (0.5 cm), and longer chain PFAS were mostly at the bottom part of the concrete core (5 cm). The inorganic fluorine fraction was also detected, and it likely hampered the detection of organic fluorine such as PFAS in the concrete. Thus, this non-destructive technique is an complementary approach to detect PFAS in contaminated concrete. KW - Beton KW - Per- and Polyfluoroalkyl substances (PFAS) KW - XANES spectroscopy PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-616711 DO - https://doi.org/10.1016/j.hazl.2024.100134 SN - 2666-9110 VL - 5 SP - 1 EP - 5 PB - Elsevier B.V. AN - OPUS4-61671 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -