TY - JOUR
A1 - Lutz, C.
A1 - Hampel, S.
A1 - Beuermann, S.
A1 - Turek, T.
A1 - Kunz, U.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
A1 - Fittschen, U. E. A.
T1 - Investigation on Vanadium Species Distribution in Nafion™ 117 after Cyclization in a Vanadium Redox Flow Battery
N2 - The vanadium redox flow battery (VRFB) is currently a potential candidate for stationary energy storage. A major challenge is the unintended vanadium transport through the separator, which results in a fade of capacity. To overcome this issue, it is necessary to understand the transport processes in the membrane on a more fundamental level. In this work, the vanadium species distribution in Nafion™ 117 after cyclization was investigated. Two membranes, one from a charged VRFB and another from a discharged VRFB, were analyzed using ultraviolet–visible spectroscopy (UV/VIS) and X-ray absorption near edge structure spectroscopy (XANES). Little difference between the two membranes was recognizable according to the UV/VIS results. In comparison, the XANES results showed that the membrane from the charged VRFB contains more V3+ than VO2+, whereas for the discharged case, more VO2+ is present in the membrane.
KW - Synchrotron
KW - BAMline
KW - XANES
KW - Vanadium redox flow battery
PY - 2021
VL - 64
SP - 1
EP - 8
AN - OPUS4-54144
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Energy Resolved Imaging with Coded Apertures
N2 - Our aim is to develop a simple and inexpensive method for full field X-ray fluorescence imaging.We combine an energydispersive array detector with a coded aperture to obtain high resolut ion images. To obtain the information from the recorded image a reconstruction step is necessary. The reconstruction methods we have developed, were tested on simulated data and then applied to experimental data. The first tests were carried out at the BAMline @BESSY II. This method enables the simultaneous detection of multiple elements,which is important e.g. in the field of catalysis.
T2 - SRI 2021
CY - Online meeting
DA - 28.3.2022
KW - Synchrotron
KW - BAMline
KW - Machine Learning
KW - Coded Aperture
PY - 2022
AN - OPUS4-56298
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Lutz, C.
A1 - Hampel, S.
A1 - Ke, X.
A1 - Beuermann, S.
A1 - Turek, T.
A1 - Kunz, U.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
A1 - Fittschen, U.
T1 - Evidence for redox reactions during vanadium crossover inside the nanoscopic water-body of Nafion 117 using X-ray absorption near edge structure spectroscopy
N2 - A major source of capacity fade of the common vanadium redox flow battery (VRFB) is the vanadium ion transport through the separator. However, different transport models disagree significantly in the diffusion coefficient for the different V species and the influence of different transport mechanisms. The underlying hypothesis of this work is that reactions inside the membrane are partly responsible for these discrepancies. Accordingly, it was investigated if redox reactions inside the nanoscopic water body of Nafion 117 can occur. X-ray absorption near edge structure spectroscopy (XANES) was used to distinguish between the different V species inside hydrated Nafion 117 and novel PVDF-based membranes. It was validated that the speciation of vanadium can be performed using the pre-edge peak energy and intensity. The experiments were performed as follows: strips of the membrane were exposed from one site to a V3+ solution (green) and from the other site to a VO2+ solution (yellow). The ions could diffuse into the membrane from both sides. A change of color of the membrane strip was observed. The blue color in the middle of the strip indicated that VO2+ was formed where V3+ and VO2+ got in contact. Using XANES this reaction inside Nafion was proven.
KW - PVDF-Based membrane
KW - VRFB
KW - Vanadium speciation
KW - XANES
KW - Nafion 117
PY - 2020
DO - https://doi.org/10.1016/j.jpowsour.2020.229176
VL - 483
SP - 229176
PB - Elsevier B.V.
AN - OPUS4-51719
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Cakir, Cafer Tufan
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
T1 - A Digital Twin Workflow for Optimizing X-ray Emission Spectroscopy (XES) Parameters in Material Science
N2 - In this contribution, I present a digital twin-based workflow designed to optimize experimental parameters in X-ray emission spectroscopy (XES), with a focus on reproducibility, data integration, and alignment with FAIR (Findable, Accessible, Interoperable, Reusable) principles in materials science and engineering (MSE). The developed pipeline begins with automated retrieval of crystallographic information from the Materials Project database based on a given sample composition. This structural data is then used to simulate the corresponding XES spectra using FDMNES, allowing for accurate prediction of element-specific emission lines.
The simulated emission lines are fed into an X-ray tracing (XRT) module, which builds a virtual replica of the experimental setup. This digital twin environment enables predictive modeling of spectrometer performance based on geometric configurations. The optimization focuses on two key parameters: the choice of the analyzing crystal and the distance between the sample and crystal (which also defines the crystal–detector distance due to Bragg condition constraints). An active learning algorithm is employed to iteratively adjust these parameters in order to achieve a desired energy-per-pixel (E/pixel) resolution with minimal intensity loss, enabling efficient, data-driven experimental planning.
By integrating data-driven simulations with real-time optimization strategies, this workflow supports efficient experiment planning while minimizing resource consumption and human error. Furthermore, all stages of the process—from data collection and simulation to optimization and visualization—are structured to ensure traceability and interoperability, facilitating future reuse and collaborative research.
I hope this contribution aligns well with the topic “Workflows for FAIR MSE Data” and offers a concrete example of how digital twins can be harnessed to improve the design, execution, and documentation of spectroscopy experiments in the MSE domain.
T2 - Opportunities and Challenges of FAIR Data at Photon and Neutron Facilities
CY - Bad Honnef, Germany
DA - 12.10.2025
KW - Digital-Twin
KW - XES
KW - Optimization
KW - Machine Learning
PY - 2025
AN - OPUS4-64676
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Grengg, C.
A1 - Koraimann, G.
A1 - Ukrainczyk, N.
A1 - Rudic, O.
A1 - Luschnig, S.
A1 - Gluth, Gregor
A1 - Radtke, Martin
A1 - Dietzel, M.
A1 - Mittermayr, F.
T1 - Cu- and Zn-doped alkali activated mortar – Properties and durability in (bio)chemically aggressive wastewater environments
N2 - Metakaolin-based alkali activated mortars (AAM) - with and without CuSO4·5H2O and ZnO addition (mass ratio Mn+/solid binder 0.08% to 1.7%) - were casted and exposed within an extensive long-term field campaign over the period of 20 months to a sewer basin, strongly affected by biogenic acid corrosion. (Un-)exposed AAM were tested regarding their physicochemical and microstructural properties, bioreceptivity and overall durability. Metal addition led to a retarding effect during alkali-activation reaction, as well as to an increase in open porosity of up to 3.0% and corresponding lower compressive strength of up to 10.9%. Reduced microbial colonization and diversity were observed on AAM with Cu, while Zn addition led to increased biodiversity. We propose that the observed higher durability of Cu-doped AAM is due to antibacterial effects and associated reduction of biogenic acid production, superseding overall negative effects of metal-dosage on physical material properties. Observed lower durability of Zn-doped AAM was related to combined negative physicochemical and microbial effects.
KW - Microbially induced corrosion
KW - Alkali-activated materials
KW - Biogenic acid corrosion
KW - Biogene Schwefelsäurekorrosion
KW - MIC
PY - 2021
DO - https://doi.org/10.1016/j.cemconres.2021.106541
SN - 0008-8846
VL - 149
SP - 1
EP - 15
PB - Elsevier
CY - Oxford
AN - OPUS4-53070
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - X-Ray fluorescence with synchrotron radiation basics and applications
N2 - In this talk, the features of X-ray fluorescence analysis with synchrotron radiation will be presented. First, the basics of the origin of synchrotron radiation and X-ray fluorescence analysis and the experimental setup will be discussed. Then, examples of trace element detection, micrometer resolution, and application of the X-ray color camera will be shown.
T2 - HZB Photon school 2020
CY - Berlin, Germany
DA - 09.03.2020
KW - Synchrotron
KW - BAMline
KW - XRF
KW - Machine learning
PY - 2020
AN - OPUS4-51894
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - From Egypt to Hiddensee – Analysis of Gold with Synchrotron Radiation V
N2 - Gold is one of the seven metals already known in antiquity and was used from time immemorial as a medium of exchange and for the production of jewelry because of its luster and rarity. In addition, it is easy to work and largely resistant to chemical influences. Investigations of gold using synchrotron radiation excited X-ray fluorescence analysis are non-destructive and provide information about the chemical elements present in the sample under investigation. The investigations presented here at BAMline focus on questions such as the origin, manufacturing process, and association of gold findings. The different questions are explained by a number of examples ranging from the Viking treasure from Hiddensee to the Nebra Sky Disk and finds from Egypt. The find from Bernstorf is discussed in detail. A Bayesian treatment of the authenticity is shown.
T2 - Ringvorlesung Einführung in die Archäometrie
CY - Berlin, Germany
DA - 01.11.2024
KW - Gold
KW - Synchrotron
KW - XRF
KW - BAMline
KW - Bayes
PY - 2024
AN - OPUS4-61699
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Getting more efficient – The use of Bayesian optimization and Gaussian processes at the BAMline
N2 - For more than 20 years, BAM is operating the BAMline at the synchrotron BESSY II in Berlin Adlershof. During this time, the complexity of the setup and the amount of data generated have multiplied. To increase the effectiveness and in preparation for BESSY III, algorithms from the field of machine learning are increasingly used.
After a short introduction to BO and GP, the first example is the automatic alignment of our double multilayer monochromator (DMM).
The second example is the optimization of measurement time in XRF scanning.
T2 - SNI2022 conference
CY - Berlin, Germany
DA - 05.09.2022
KW - Artificial Inelligence
KW - Machine Learning
KW - Bayesian Statistics
KW - Gaussian process
KW - X-ray fluorescence
KW - BAMline
PY - 2022
AN - OPUS4-56255
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Yun, Tae Gyu
A1 - Chen, Boqiang
A1 - Wells, Sarah
A1 - Lim, Younghwan
A1 - Kim, Jun Seop
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
A1 - Waegele, Matthias M.
A1 - Risch, Marcel
A1 - Grimaud, Alexis
ED - de Oliveira Guilherme Buzanich, Ana
T1 - Extrinsic and Intrinsic Factors Governing the Electrochemical Oxidation of Propylene in Aqueous Solutions
N2 - The electrochemical synthesis of commoditychemicals such as epoxides and glycols offers a sustainablealternative to conventional methods that involve hazardouschemicals. Efforts to improve the yield and selectivity of propyleneoxidation using Pd-based catalysts have been shown to be highlysensitive to applied potential, pH, and electrochemical cell design.Record efficiencies and yields were obtained by substitution ofPdO by 4d or 5d transition metals, including Pt, with thus far littlerationale regarding the origin for the improvement. Throughelectrochemical analysis, scanning transmission electron micros-copy, X-ray absorption spectroscopy, and surface-enhanced infraredabsorption spectroscopy, we investigated the mechanism ofpropylene oxidation on Pd-based catalysts. We demonstrate thatadsorbates forming on PdO, where Pd adopts a square-planar coordination [PdO4], differ from that forming on the surface ofoxidized metallic Pd catalysts with an oxo intermediate mediating propylene oxidation on PdO. We further show that Pt substitutionin PdO does not modify this oxo intermediate. Varying pH, we found that the onset for propylene oxidation is pH independent,indicating a potential-determining step where the proton is not involved in and similar reaction pathway in acidic and near-neutralconditions. Finally, our work undoubtedly demonstrates that high Faradaic efficiency toward propylene glycol and propylene oxideformation, such as those previously reported in the literature, can be achieved by means of electrode engineering and mastery ofmass transport and local pH. Notably, we achieved ≈100% faradaic efficiency for propylene glycol at 1.7 V vs RHE in acidic mediausing a Pt-substituted PdO catalyst loaded onto a gas diffusion electrode.
KW - XAS
KW - Electrochemistry
KW - Popylene oxidation
KW - 4d metals
PY - 2025
DO - https://doi.org/10.1021/jacs.5c02585
SN - 0002-7863
VL - 147
IS - 14
SP - 12318
EP - 12330
PB - American Chemical Society (ACS)
AN - OPUS4-63112
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Guerra, M.F.
A1 - Neri, E.
A1 - Radtke, Martin
T1 - Gold leaf tesserae: tracing the origins of gold using synchrotron-based techniques
N2 - To gain insight into the possible origin of the gold used in the production of tesserae containing gold leaf less than 0.5 μm thick placed between two layers of glass, we propose a non-destructive synchrotron radiation (SR) XRF protocol based on sequential analysis under optimised analytical conditions. Using this protocol, trace element analysis is achieved with detection limits of 1–6 mg/kg. As Pt and Au have adjacent fluorescence energies, we tested the most challenging situation, when Pt is present in very low concentrations in gold. Data obtained by double-dispersive XRF (D2XRF) and μXRF for fourth–ninth-century mosaics decorating nine Eastern and Western religious buildings show that the Eastern and Western tesserae are made from different alloys.
However, these alloys are identical to those used to make gold leaf for gilding, because plastic deformation requires the use of gold alloys with high ductility and malleability. Although trace element composition of gold used in the concerned period is only available for coins, by comparing the amounts of Pt contained in the tesserae and in the coins we show that Roman tesserae are made from Roman gold, as described in the documentary sources. We observe for the Byzantine period the use of a Byzantine gold and of gold supposedly from different stages of recycling, and we suggest the use of Umayyad and Abbasid gold for the production of Islamic tesserae.
KW - Gold
KW - XRF
KW - Synchrotron
KW - BAMline
KW - D2XRF
KW - Tesserae
PY - 2023
DO - https://doi.org/10.1140/epjp/s13360-022-03638-y
SN - 2190-5444
VL - 138
IS - 2
SP - 1
EP - 15
AN - OPUS4-57208
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Getting more efficient – The use of Bayesian optimization and Gaussian processes at the BAMline
N2 - For more than 20 years, BAM is operating the BAMline at the synchrotron BESSY II in Berlin Adlershof. During this time, the complexity of the setup and the amount of data generated have multiplied. To increase the effectiveness and in preparation for BESSY III, algorithms from the field of machine learning are increasingly used.
In this paper, several examples in the areas of beamline alignment and measurement time optimization based on Bayesian optimization (BO) with Gaussian processes (GP) are presented. BO is a method for finding the global optimum of a function using a probabilistic model represented by a GP. The advantage of this method is that it can handle high-dimensional problems, does not depend on the initial estimate, and also provides uncertainty estimates.
After a short introduction to BO and GP, the first example is the automatic alignment of our double multilayer monochromator (DMM). To achieve optimal performance, up to three linear and two angular motor positions have to be optimized. To achieve this with a grid scan, at least 100^5 measurement points would be required. Assuming that all positions can be aligned independently, 100*5 points are still necessary. We show that with BO and GP less than 100 points are sufficient to achieve equal or better results.
The second example is the optimization of measurement time in XRF scanning. Here we will show the advantage of the BO GP approach over point-by-point scanning. As can be seen in Fig. 1, the number of points required and thus the measurement time can be reduced by a factor of 50, while the loss in image quality is acceptable. The advantages and limitations of this approach will be discussed.
T2 - European Conference on X-ray Spectrometry 2022
CY - Bruges, Belgium
DA - 26.06.2022
KW - Artificial Inelligence
KW - Machine Learning
KW - Bayesian Statistics
KW - Gaussian process
KW - Neural network
KW - BAMline
KW - Synchrotron
PY - 2022
AN - OPUS4-56251
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Von Ägypten bis Hiddensee Analyse von Gold mit Synchrotronstrahlung III
N2 - Gold ist eines der sieben schon im Altertum bekannten Metalle und wurde wg. seines Glanzes und seiner Seltenheit von alters her als Tauschmittel und zur Herstellung von Schmuck benutzt. Außerdem ist es einfach bearbeitbar und weitestgehend gegen chemische Einflüsse resistent. Die Untersuchungen von Gold mit synchrotronstrahlungsangeregter Röntgenfluoreszenzanalyse sind zerstörungsfrei und geben Auskunft über die in der untersuchten Probe vorhandenen chemischen Elemente. Bei den hier vorgestellten Untersuchungen an der BAMline stehen Fragestellungen wie Herkunft, Herstellungsverfahren und Zusammengehörigkeit von Goldfunden im Vordergrund. Die verschiedenen Fragestellungen werden an einer Reihe von Beispielen erläutert die vom Wikingerschatz aus Hiddensee über die Himmelsscheibe von Nebra bis hin zu Funden aus Ägypten langen. Der Fund von Bernstorf wird ausführlich diskutiert.
T2 - Vorlesung FU Berlin Einführung in die Archäometrie
CY - Berlin, Germany
DA - 06.11.2020
KW - Synchrotron
KW - BAMline
KW - XRF
KW - Gold
KW - Archäometrie
PY - 2020
AN - OPUS4-51893
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Decoding the Elemental Fingerprints of Ancient Gold: A Synchrotron-based Approach
N2 - This contribution focuses on the application of synchrotron radiation X-ray fluorescence (SR XRF) for the analysis of ancient gold objects at the BAMline, showcasing several noteworthy examples. One prominent artifact is the Sky Disc of Nebra, which presented a relatively straightforward question to be addressed: Do the gold inlays belong together, and can we glean insights about their origin? In contrast, the analysis of the Bernstorf gold, an alleged Bronze Age treasure composed of exceptionally pure gold, posed a more intricate challenge. The debate surrounding its authenticity prompted an in-depth investigation utilizing SR XRF with different experimental conditions. This approach, involving the analysis of trace elements, played a pivotal role in elucidating the nature and age of the gold, offering valuable insights into its production Platinum emerges as a crucial trace element for gold analysis, given its typically low concentration in gold artifacts, often in the range of a few parts per million (ppm). Accurately measuring Platinum in the presence of overlapping emission lines from gold is arduous. To overcome this challenge, BAMline developed a wavelength dispersive set-up known as D2XRF, employing a pixelated energy-dispersive X-ray detector (pnCCD). This innovative approach enables the resolution of overlapping emission lines, leading to a remarkable detection limit of 1 ppm for Platinum in gold samples. Furthermore, the application of the pnCCD for imaging element distributions on a Phoenician ivory artifact will be showcased. This technique allows for the visualization and mapping of various elements, which opens the possibility to reconstruct the original appearance. The comprehensive analysis of ancient gold artifacts at BAMline has provided valuable insights into the craftsmanship, trade, and technological advancements of ancient civilizations. By unraveling the complex stories these artifacts carry, our studies contributed significantly to the fields of archaeology, history, and materials science. It underscores the importance of interdisciplinary approaches in piecing together the puzzle of human history, revealing the interconnectedness of cultures through the lens of non-destructive analysis.
T2 - Denver X-ray Conference 2024
CY - Denver, CO, USA
DA - 04.08.2024
KW - Gold
KW - Synchrotron
KW - XRF
KW - BAMline
PY - 2024
AN - OPUS4-61701
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Leidigkeit, Carolin
A1 - Shokr, Mohammad
A1 - Tosson, Amir
A1 - Cakir, Cafer Tufan
A1 - Radtke, Martin
A1 - Pietsch, Ullrich
A1 - Christ, Hans-Jürgen
T1 - Using Energy-Dispersive Laue Diffraction to Study Dislocation Arrangements in Materials Showing Wavy and Planar Slip Behavior
N2 - The present work shows an approach to monitor the evolution of the dislocation arrangement of a metallic material caused by cyclic plastic strain using white X-ray radiation in combination with an energy-dispersive detector. The method is demonstrated by single-shot experiments performed on polycrystalline nickel and α-brass, representing the pure wavy and the pure planar dislocation slip behavior. To correlate the resulting diffraction patterns with various dislocation arrangements of both metals, fatigue tests were carried out up to certain numbers of cycles and at predetermined plastic strain amplitudes. The differences in dislocation microstructure and internal stress distributions give rise to an appreciable change in the peak shape of Laue reflections, leading to unique characteristics in the respective diffraction patterns. Nickel reflections are elongated due to the high amount of cell structures leading to bending and misorientation of the lattice, whereas the present stacking faults in α-brass result in powder-like diffraction.
KW - Slip behavior
KW - Energy-Dispersive
KW - Laue Diffraction
KW - Dislocation
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637964
DO - https://doi.org/10.1111/ffe.14535
SN - 1460-2695
VL - 48
IS - 3
SP - 1341
EP - 1351
PB - Wiley
AN - OPUS4-63796
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - ChatGPT and EPICS: LLM-Enhanced Control Systems for Synchrotron Beamlines
N2 - The BAMline at BESSY II represents a hard X-ray spectroscopy facility enabling non-destructive analysis across diverse research areas like materials science, chemistry, biology, and cultural heritage studies. As a multipurpose beamline serving users from various disciplines, it underscores the necessity of adaptable and efficient control systems to maximize beamline utilization and scientific output.
In this contribution, we detail the innovative integration of ChatGPT , OpenAI’s state-of-the-art Large Language Model (LLM), with the Experimental Physics and Industrial Control System (EPICS) which underpins the operational framework of the BAMline. This integration leverages the advanced natural language processing (NLP) capabilities of ChatGPT, presenting a revolutionary approach to beamline control that markedly simplifies user interaction. Through this, we facilitate a user-friendly pathway to executing complex experimental setups, eliminating the barrier imposed by conventional scripting languages and the often-challenging graphical user interfaces. This innovation promises to significantly streamline experimental workflows, thereby enhancing the efficiency of scientific research conducted at the beamline.
Further enhancing this user-centric approach, we introduce an advanced graphical user interface (GUI) application. This novel application seamlessly melds the LLM’s NLP capabilities with EPICS, thereby enabling researchers to articulate experimental requirements through simple textual or voice commands. This interface interprets these commands to manipulate various beamline components, including but not limited to the Double Crystal Monochromator (DCM), Double Multilayer Monochromator (DMM), as well as various filters and slits. By parsing user input, extracting pertinent parameters, and generating a structured JSON object that reflects the desired device positions and experimental settings, the GUI application bridges the gap between complex control commands and intuitive user interactions. This advancement not only lowers the entry threshold for new users but also streamlines the operational workflow for experienced researchers.
Looking ahead, we aim to extend the system to cover the entire experimental cycle, from setup to data analysis. Using LLMs, one could translate plain-language experiment descriptions into precise operational commands, revolutionizing the research process and making advanced scientific exploration more accessible to a wider community.
T2 - European X-ray Spectrometry Conference
CY - Athens, Greece
DA - 24.06.2024
KW - EPICS
KW - ChatGPT
KW - BAMline
KW - Synchrotron
PY - 2024
AN - OPUS4-61702
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Vergangenheit verifiziert: Datierung und Authentizität mittels Bayes’scher Methoden
N2 - In der Archäologie ist die präzise Datierung von Funden und die Verifikation ihrer Authentizität von entscheidender Bedeutung, um Erkenntnisse über vergangene Zivilisationen zu gewinnen. Während traditionelle Methoden wie die Radiokarbon-Datierung bereits seit Jahrzehnten etabliert sind, hat die Anwendung der Bayes’schen Statistik in den letzten Jahren an Bedeutung gewonnen. Dieser Ansatz erlaubt es, vorhandene Unsicherheiten in archäologischen Daten systematisch zu berücksichtigen und bietet somit eine leistungsfähige Ergänzung zu herkömmlichen Methoden.
Die Bayes’sche Theorie basiert auf der Aktualisierung von Wahrscheinlichkeiten anhand neuer Daten. Dies ist besonders nützlich in der Archäologie, wo neue Funde oft bestehende Theorien und Annahmen in Frage stellen. Durch die Kombination von Prior-Wissen mit neuen Daten ermöglicht die Bayes'sche Methode eine adaptive und flexible Datierung und Verifizierung.
Ein Beispiel für die Anwendung dieser Methode ist die Radiokarbon-Datierung. Während die traditionelle Radiokarbon-Datierung einen geschätzten Zeitraum bietet, kann die Bayes'sche Analyse dazu verwendet werden, die Unsicherheit dieses Zeitraums zu quantifizieren und zu verfeinern. Dies ist besonders wertvoll bei der Datierung von Artefakten aus Zeiträumen, in denen mehrere historische Ereignisse stattfanden.
Zudem ist die Bayes'sche Methode auch bei der Überprüfung der Authentizität von Funden nützlich. Durch die Kombination verschiedener Datenquellen, wie z.B. Inschriften, Materialanalysen und Kontextinformationen, können Archäologen die Wahrscheinlichkeit der Echtheit eines Artefakts bestimmen.
Trotz ihrer Stärken ist die Anwendung der Bayes’schen Statistik in der Archäologie nicht ohne Herausforderungen. Die Wahl der Prior-Wahrscheinlichkeit kann subjektiv sein und die Methode erfordert eine sorgfältige Überlegung und Expertise.
Die Bayes’sche Methode in der Archäologie ein leistungsfähiges Werkzeug, um Datierungen zu verfeinern und die Authentizität von Funden zu überprüfen. Während traditionelle Methoden weiterhin eine zentrale Rolle spielen, ermöglicht der Bayes’sche Ansatz eine nuanciertere und adaptivere Analyse, die das Potential hat, unser Verständnis der Vergangenheit zu vertiefen.
T2 - NAHM workshop
CY - Bonn, Germany
DA - 18.10.2023
KW - Bayes
KW - Bernstorf
KW - Gold
KW - Datierung
KW - Herkunft
KW - Suchtheorie
PY - 2024
AN - OPUS4-61705
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - ChatGPT and EPICS: LLM-Enhanced Control Systems for Synchrotron Beamlines
N2 - The BAMlineat BESSY II represents a hard X-ray spectroscopy facility enabling non-destructive analysis across diverse research areas like materials science, chemistry, biology, and cultural heritage studies. As a multipurpose beamline serving users from various disciplines, it underscores the necessity of adaptable and efficient control systems to maximize beamline utilization and scientific output.
In this contribution, we detail the innovative integration of ChatGPT, OpenAI’s state-of-the-art Large Language Model (LLM), with the Experimental Physics and Industrial Control System (EPICS) which underpins the operational framework of the BAMline. This integration leverages the advanced natural language processing (NLP) capabilities of ChatGPT, presenting a revolutionary approach to beamline control that markedly simplifies user interaction. Through this, we facilitate a user-friendly pathway to executing complex experimental setups, eliminating the barrier imposed by conventional scripting languages and the often-challenging graphical user interfaces. This innovation promises to significantly streamline experimental workflows, thereby enhancing the efficiency of scientific research conducted at the beamline.
Further enhancing this user-centric approach, we introduce an advanced graphical user interface (GUI) application. This novel application seamlessly melds the LLM’s NLP capabilities with EPICS, thereby enabling researchers to articulate experimental requirements through simple textual or voice commands. This interface interprets these commands to manipulate various beamline components, including but not limited to the Double Crystal Monochromator (DCM), Double Multilayer Monochromator (DMM), as well as various filters and slits. By parsing user input, extracting pertinent parameters, and generating a structured JSON object that reflects the desired device positions and experimental settings, the GUI application bridges the gap between complex control commands and intuitive user interactions. This advancement not only lowers the entry threshold for new users but also streamlines the operational workflow for experienced researchers.
Looking ahead, we aim to extend the system to cover the entire experimental cycle, from setup to data analysis. Using LLMs, one could translate plain-language experiment descriptions into precise operational commands, revolutionizing the research process and making advanced scientific exploration more accessible to a wider community.
T2 - International Conference on Synchrotron Radiation Instrumentation (SRI)
CY - Hamburg, Germany
DA - 26.08.2024
KW - Chatgpt
KW - EPICS
KW - BAMline
KW - Synchrotron
PY - 2024
AN - OPUS4-61700
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Reifschneider, O.
A1 - Vennemann, A.
A1 - Buzanich, Günter
A1 - Radtke, Martin
A1 - Reinholz, Uwe
A1 - Riesemeier, Heinrich
A1 - Hogeback, J
A1 - Köppen, C.
A1 - Großgarten, M.
A1 - Sperling, M.
A1 - Wiemann, M.
A1 - Karst, U.
T1 - Revealing Silver Nanoparticle Uptake by Macrophages Using SR-μXRF and LA-ICP-MS
N2 - To better study the impact of nanoparticles on both in vitro and in vivo models, tissue distribution and cellular doses need to be described more closely. Here silver nanoparticles were visualized in alveolar macrophages by means of synchrotron radiation micro X-ray fluorescence spectroscopy (SR-μXRF) with high spatial resolution of 3 × 3 μm2. For the spatial allocation of silver signals to cells and tissue structures, additional elemental labeling was carried out by staining with eosin, which binds to protein and can be detected as bromine signal with SR-μXRF. The method was compatible with immunostaining of macrophage antigens. We found that the silver distribution obtained with SR-μXRF was largely congruent with distribution maps from a subsequent laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) of the same tissue sites. The study shows a predominant, though not exclusive uptake of silver into alveolar macrophages in the rat lung, which can be modeled by a similar uptake in cultured alveolar macrophages. Advantages and limitations of the different strategies for measuring nanoparticle uptake at the single cell level are discussed.
KW - Synchrotron
KW - BAMline
KW - XRF
KW - Nanoparticle
KW - Macrophagen
PY - 2020
DO - https://doi.org/10.1021/acs.chemrestox.9b00507
VL - 33
IS - 5
SP - 1250
EP - 1255
PB - American Chemical Society
AN - OPUS4-50855
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Artificial intelligence for spectroscopy examples from BAMline
N2 - Various applications for artificial intelligence in the context of spectroscopy will be presented. in particular, examples from bamline will be featured. After a short introduction to synchrotron radiation, artificial intelligence algorithms for the quantification of X-ray fluorescence measurement are discussed. In the second example, information retrieval by natural language processing is reviewed. As a last example the reconstruction of measurements with the X-ray color camera and coded apertures is presented.
T2 - Seminar Strahlenphysikalische Anwendungen in Technik und Medizin
CY - ATi Wien, Austria
DA - 22.01.2020
KW - Machine learning
KW - Natural language processing
KW - Neural networks
KW - Synchrotron
KW - BAMline
PY - 2020
AN - OPUS4-51891
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Getting more efficient – The use of Bayesian optimization and Gaussian processes at the BAMline
N2 - The BAMline, a beamline for material science research at BESSY II, has been operated by the Bundesanstalt für Materialforschung und -prüfung for over two decades. In the last few years, Bayesian optimization (BO) with Gaussian processes (GP) has been introduced as a transformative method in this setting. This contribution highlights the integration and impact of BO and GP in refining BAMline operations.
We will explore the impact of integrating Bayesian methods, especially when combined with Gaussian processes, on the operational efficiency of the BAMline. Our discussion commences with an overview of the fundamental concepts of active learning and optimization. This is followed by an in-depth analysis of specific case studies, drawing on our direct experience with these innovative methods.
For this our focus is on three key applications:
Alignment of Optical Elements (DCM and DMM): The implementation of
Bayesian optimization using Gaussian processes has revolutionized the
alignment process for the Double Crystal Monochromator (DCM) and the
Double Multilayer Monochromator (DMM). This approach greatly reduced
manual effort and enhanced the efficiency and effectiveness of the
alignment procedure.
Optimal Spot Selection for Spatial Mapping in XRF Studies: In X-ray
fluorescence (XRF) experiments, determining the most informative
sampling spots is crucial. The introduction of BO, informed by GP,
has significantly improved the selection process, especially in large
or heterogeneous samples. This methodology ensures maximum
information gain, optimizing the balance between comprehensive
mapping and resource management.
Selection of Optimal Energies for XANES Measurements in GEXANES
Geometry: In the specific context of X-ray Absorption Near Edge
Structure (XANES) studies using Grazing Exit (GEXANES) geometry, the
Bayesian approach with Gaussian processes is now utilized to identify
the most effective energy settings. This results in detailed spectral
data acquired in a much shorter time.
We also address challenges and limitations encountered during implementation. Additionally, the versatility of this approach in addressing a range of different research questions will be demonstrated.
T2 - Machine Learning Conference for X-Ray and Neutron-Based Experiments
CY - Garching bei München, Germany
DA - 08.04.2024
KW - BAMline
KW - Synchrotron
KW - XRF
KW - Bayes
PY - 2024
AN - OPUS4-61703
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - BAMline@BESSY2 - Advanced Techniques and Applications
N2 - Synchrotron radiation sources offer a wide range of possibilities in materials research due to their unique properties in terms of intensity, polarization and adjustability. A basic introduction about the creation and special properties of synchrotron radiation will be given. Examples of current work at BAMline, the high-energy measuring facility of the Federal Institute for Materials Research and Testing at the synchrotron BESSY, are used to illustrate the possibilities and limitations of existing measuring methods.”
T2 - GDCH Kolloquium
CY - Clausthal-Zellerfeld, Germany
DA - 17.11.2022
KW - Synchrotron
KW - BAMline
KW - XRF
KW - XANES
PY - 2022
AN - OPUS4-61706
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Trace element analysis with synchrotron radiation
N2 - Trace elements are chemical elements whose concentration in a material is very low. The exact definition depends on the application and varies for example between 100 micrograms per gram in analytical chemistry and 1000 micrograms per gram in geology. The ability to detect trace elements fast and quantitatively is of great importance in many areas of science and technology. With its high brilliance and flexibility in the excitation conditions, synchrotron radiation is an ideal tool for detecting traces even in small sample quantities. In this contribution I will report about the use of X-ray fluorescence(XRF)for qualitative and quantitative element sensitiveanalysis. In addition to the fundamentals of XRF and its quantification methods, the advantages and problems of different geometries like e.g. microXRF, Total Reflection X-ray Fluorescence (TXRF)or Double Dispersive XRF (D²XRF) will be discussed. Practical examples from BAMline from the research fields of medicine, geology and archaeometry will complete the lecture.
T2 - Denver X-Ray Conference
CY - Online meeting
DA - 03.08.2020
KW - Synchrotron
KW - BAMline
KW - XRF
PY - 2020
AN - OPUS4-51890
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Machine learning - Examples from BAM Line
N2 - This talk explores applications of artificial intelligence in the field of spectroscopy, with a special focus on research conducted at BAMline. We begin with an overview of synchrotron radiation and its unique capabilities in material analysis. The first part of the talk will cover the integration of AI algorithms in quantifying X-ray fluorescence measurements, providing enhanced precision and efficiency in data analysis. Following this, we will examine the role of language models in spectroscopic research, showcasing how these tools can facilitate the control of complex experimental set-ups
T2 - Analytical Academy
CY - Berlin, Germany
DA - 12.11.2024
KW - ChatGPT
KW - Neural networks
KW - XRF
KW - Synchrotron
KW - BAMline
PY - 2024
AN - OPUS4-61698
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Enhancing efficiency at bamline: employing data science and machine learning for x-ray research
N2 - This talk discusses how data science and machine learning techniques are being applied at the BAM Federal Institute for Materials Research and Testing to enhance efficiency and automation at the BAMLine synchrotron facility. The methods presented include Gaussian processes and Bayesian optimization for beamline adjustment and optimization of X-ray measurements. These statistical techniques allow automated alignment of beamline components and active learning scanning to reduce measurement time.
Additional machine learning methods covered are neural networks for quantification of X-ray fluorescence (XRF) data and decoding coded apertures.
T2 - 17th International Work-Conference on Artificial Neural Networks (IWANN2023)
CY - Ponta Delgada, Portugal
DA - 19.06.2023
KW - Bayesian Optimization
KW - Gaussian Process
KW - BAMline
PY - 2023
AN - OPUS4-58605
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - From Egypt to Hiddensee – Analysis of Gold with Synchrotron Radiation IV
N2 - Gold is one of the seven metals already known in antiquity and was used from time immemorial as a medium of exchange and for the production of jewelry because of its luster and rarity. In addition, it is easy to work and largely resistant to chemical influences. Investigations of gold using synchrotron radiation excited X-ray fluorescence analysis are non-destructive and provide information about the chemical elements present in the sample under investigation. The investigations presented here at BAMline focus on questions such as the origin, manufacturing process, and association of gold findings. The different questions are explained by a number of examples ranging from the Viking treasure from Hiddensee to the Nebra Sky Disk and finds from Egypt. The find from Bernstorf is discussed in detail. A Bayesian treatment of the authenticity is shown.
T2 - Ringvorlesung Einführung in die Archäometrie
CY - Berlin, Germany
DA - 04.11.2022
KW - Synchrotron
KW - BAMline
KW - Bayesian Statistics
KW - Gold
KW - Röntgenfluoreszenz
PY - 2022
AN - OPUS4-56252
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Insights into materials with hard x-rays: capabilities of the bamline
N2 - This contribution provides an overview of the BAMline synchrotron radiation beamline, which specializes in hard X-ray spectroscopy techniques for materials research. The BAMline offers X-ray absorption spectroscopy (XAS), x-ray fluorescence spectroscopy (XRF), and tomography to study materials' electronic structure, chemical composition, and structure. Key capabilities include standard and dispersive XAS for electronic structure, micro-XRF for elemental mapping, coded aperture imaging, and depth-resolved grazing exit XAS. The BAMline enables in situ characterization during materials synthesis and functions for energy, catalysis, corrosion, biology, and cultural heritage applications.
Ongoing developments like the implementation of machine learning techniques for experiment optimization and data analysis will be discussed. For instance, Bayesian optimization is being used to improve beamline alignment and scanning. An outlook to the future, where the BAMline will continue pioneering dynamic and multi-scale characterization, aided by advanced data science methods, to provide unique insights into materials research, will be given.
T2 - μ-XRF at Elettra 2.0: challenges and opportunities
CY - Trieste, Italy
DA - 11.09.2023
KW - Synchrotron
KW - XRF
KW - XANES
KW - Bayes
PY - 2023
AN - OPUS4-58607
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Das goldene Zeitalter war damals Analyse von Gold mit Synchrotronstrahlung
N2 - Gold ist eines der sieben bereits in der Antike bekannten Metalle und wurde wegen seines Glanzes und seiner Seltenheit seit jeher als Tauschmittel und zur Herstellung von Schmuck verwendet. Außerdem ist es leicht zu bearbeiten und weitgehend resistent gegen chemische Einflüsse.
Die Analyse von Gold mit der durch Synchrotronstrahlung angeregten Röntgenfluoreszenzanalyse ist zerstörungsfrei und liefert Informationen über die in der untersuchten Probe vorhandenen chemischen Elemente.
Im Mittelpunkt der hier vorgestellten Untersuchungen an der BAMline stehen Fragen nach der Herkunft, dem Herstellungsprozess und der Zugehörigkeit von Goldfunden. Die verschiedenen Fragestellungen werden anhand einer Reihe von Beispielen erläutert, die vom Wikingerschatz von Hiddensee über die Himmelsscheibe von Nebra bis hin zu Funden aus Ägypten reichen. Darüber hinaus werden die heute am Synchrotron verfügbaren modernen Messmethoden vorgestellt.
T2 - WISSENSCHAFT MIT WIRKUNG: Workshop Kulturguterhaltung – vom Dampfkessel zu Nanomaterialien
CY - Berlin, Germany
DA - 17.11.2021
KW - Gold
KW - Synchrotron
KW - Bernstorf
KW - Nebra
KW - XRF
PY - 2021
AN - OPUS4-54139
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Machine learning for direct quantification of XRF measurements
N2 - In this talk I’ll describe the use of artificial neural networks (ANN) for quantifying X-ray fluorescence (XRF) measurements. The main idea of this talk is to give an overview of the process needed to generate a model that can then be applied to a specific problem.
In XRF, a sample is excited with X-rays and the resulting characteristic radiation is detected to determine elements quantitatively and qualitatively. This is traditionally done in several time-consuming steps. I’ll show the possibilities and problems of using a neural network to realise a "one-click" quantification. This includes generating training data using Monte Carlo simulation and augmenting the existing data set with an ANN to generate more data. The search for the optimal hyperparameters, manually and automatically, is also described. For the case presented, we were able to train a network with a mean absolute error of 0.1% by weight for the synthetic data and 0.7% by weight for a set of experimental data obtained with certified reference materials.
T2 - Seminar series: Artificial Intelligence applied to X-ray / synchrotron techniques
CY - Online meeting
DA - 24.06.2021
KW - Artificial intelligence
KW - Machine learning
KW - Synchrotron
KW - XRF
PY - 2021
AN - OPUS4-54140
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - News from the BAMline
N2 - A presentation of recent measurements at the BAMline with focus on AI and ML applications
T2 - Seminar: Strahlenphysikalische Anwendungen in Technik und Medizin
CY - Vienna, Austria
DA - 18.05.2022
KW - Synchrotron
KW - BAMline
KW - Bayesian Statistics
KW - Gold
KW - X-ray fluorescence
PY - 2022
AN - OPUS4-56253
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Big to Small - Getting Smarter@BAMline
N2 - In this talk an overview about artificial intelligence/machine learning applications @BAMline is given. In the first part, the use of neural networks for the quantification of XRF measurements and the decoding of coded-aperture measurements are shown. Then it is shown how Gaussian processes and Bayesian statistics can be used to achieve an optimal alignment of the set-up and in general for optimization of measurements.
T2 - Forschungsseminar Institut für Optik und Atomare Physik TU Berlin
CY - Berlin, Germany
DA - 25.10.2022
KW - Artificial Inelligence
KW - Machine Learning
KW - Bayesian Statistics
KW - Gaussian process
KW - Neural network
KW - BAMline
KW - Synchrotron
PY - 2022
AN - OPUS4-56249
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - ML@BAMLINE
N2 - An overview of the machine learning methods used at BAMline. Examples of automatic alignment and optimisation based on Gaussian processes are discussed. Quantification of XRF measurements and reconstruction for coded aperture imaging based on neural networks are also presented.
T2 - Machine Learning Workshop BAM
CY - Online meeting
DA - 18.03.2021
KW - Artificial Intelligence
KW - Machine learning
KW - Bayesian Optimization
KW - Gaussian process
KW - Neural Network
PY - 2021
AN - OPUS4-54142
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - SRXRF examples from the BAMline
N2 - Synchrotron radiation sources with their unique properties in terms of intensity, polarization and adjustability offer a wide range of possibilities in materials research. A basic introduction about the creation and special properties of synchrotron radiation will be given. Examples of current work at BAMline, the high-energy measuring facility of the Federal Institute for Materials Research and Testing at the synchrotron BESSY, are used to illustrate the possibilities and limitations of existing measuring methods.
T2 - Better with Scattering
CY - Online meeting
DA - 16.03.2020
KW - Synchrotron
KW - BAMline
KW - XRF
PY - 2020
AN - OPUS4-51895
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - de O. Primo, J.
A1 - Horsth, D.F.
A1 - de S. Correa, J.
A1 - Das, A.
A1 - Bittencourt, C.
A1 - Umek, P.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
A1 - Yusenko, Kirill
A1 - Zanetta, C.
A1 - Anaissi, F.J.
T1 - Synthesis and Characterization of Ag/ZnO Nanoparticles for Bacteria Disinfection in Water
N2 - n this study, two green synthesis routes were used for the synthesis of Ag/ZnO nanoparticles, using cassava starch as a simple and low-cost effective fuel and Aloe vera as a reducing and stabilizing agent. The Ag/ZnO nanoparticles were characterized and used for bacterial dis-
infection of lake water contaminated with Escherichia coli (E. coli). Characterization indicated the formation of a face-centered cubic structure of metallic silver nanoparticles with no insertion of Ag into the ZnO hexagonal wurtzite structure. Physicochemical and bacteriological analyses described in “Standard Methods for the Examination of Water and Wastewater” were used to evaluate the efficiency of the treatment. In comparison to pure ZnO, the synthesized Ag/ZnO nanoparticles showed high efficiencies against Escherichia coli (E. coli) and general coliforms present in the lake
water. These pathogens were absent after treatment using Ag/ZnO nanoparticles. The results indicate that Ag/ZnO nanoparticles synthesized via green chemistry are a promising candidate for the treatment of wastewaters contaminated by bacteria, due to their facile preparation, low-cost synthesis,and disinfection efficiency.
KW - Synchrotron
KW - BAMline
PY - 2022
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-562440
DO - https://doi.org/10.3390/nano12101764
SN - 2079-4991
VL - 12
IS - 10
SP - 1
EP - 18
PB - MDPI
CY - Basel
AN - OPUS4-56244
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Margreiter, R.
A1 - Baumann, J.
A1 - Mantouvalou, I.
A1 - Radtke, Martin
A1 - Reinholz, Uwe
A1 - Strub, E.
T1 - Investigations on fire-gilding
N2 - Fire-gilding is a historic technique for the application of golden layers on a number of different base materials utilizing a gold amalgam. This technique leaves a significant amount of Hg in the golden layer, giving archeometrists a reliable indicator to identify firegildings.
Recent findings on presumably fire-gilded objects have shown in several cases significantly lower Hg content than previously studied objects. This prompted a synchrotron-based X-ray fluorescence investigation into the Hg distribution along the material–gilding interface, as well as a series of measurements regarding the Hg content development in fire-gilded samples during artificial aging. This work presents findings on laboratory-prepared fire-gildings, indicating an Hg enrichment at the interface of firegilded silver samples. Notably, such an enrichment is missing in fire-gilded copper samples. Further, it is confirmed that fire-gilded layers typically do not undercut an Hg bulk content of 5%. In this light, it seems improbable that ancient samples that contain <5% Hg are fire-gilded. The results presented in this study might lead to a non-destructive method to identify the Hg enrichment at the interface. This might be obtained by a combination of different non-destructive measurements and might also work unambiguously in samples in which the gold top layer is altered.
KW - BAMline
KW - X-Ray Fluorescence
KW - Gilding
KW - Depth profile
KW - Archaeometry
PY - 2022
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-552885
DO - https://doi.org/10.1111/arcm.12797
SN - 0003-813X
SP - 1
EP - 14
PB - Wiley online library
AN - OPUS4-55288
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Iro, M.
A1 - Ingerle, D.
A1 - Radtke, Martin
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Kregsamer, P.
A1 - Streli, C.
T1 - Investigation of polycapillary half lenses for quantitative confocal micro-X-ray fluorescence analysis
N2 - The use of polycapillary optics in confocal micro-X-ray fluorescence analysis (CMXRF) enables the destruction-free 3D investigation of the elemental composition of samples. The energy-dependent transmission properties, concerning intensity and spatial beam propagation of three polycapillary half lenses, which are vital for the quantitative interpretation of such CMXRF measurements, are investigated in a monochromatic confocal laboratory setup at the Atominstitut of TU Wien, and a synchrotron setup on the BAMline beamline at the BESSY II Synchrotron, Helmholtz-Zentrum-Berlin. The empirically established results, concerning the intensity of the transmitted beam, are compared with theoretical values calculated with the polycap software package and a newly presented analytical model for the transmission function.
The resulting form of the newly modelled energy-dependent transmission function is shown to be in good agreement with Monte Carlo simulated results for the complete energy regime, as well as the empirically established results for the energy regime between 6 keV and 20 keV. An analysis of possible fabrication errors was conducted via pinhole scans showing only minor fabrication errors in two of the investigated polycapillary optics. The energy-dependent focal spot size of the primary polycapillary was investigated in the laboratory via the channel-wise evaluation of knife-edge scans. Experimental results are compared with data given by the manufacturer as well as geometric estimations for the minimal focal spot size. Again, the resulting measurement points show a trend in agreement with geometrically estimated results and manufacturer data.
KW - BAMline
KW - Synchrotron
KW - Capillary
KW - confocal
PY - 2022
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-562430
DO - https://doi.org/10.1107/S1600577522009699
SN - 1600-5775
VL - 29
SP - 1376
EP - 1384
PB - International Union of Crystallography
CY - Chester
AN - OPUS4-56243
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Dobosy, Péter
A1 - Nguyen, Hoang Thi Phuong
A1 - Záray, Gyula
A1 - Streli, Christina
A1 - Ingerle, Dieter
A1 - Ziegler, Philipp
A1 - Radtke, Martin
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Endrédi, Anett
A1 - Fodor, Ferenc
T1 - Effect of iodine species on biofortification of iodine in cabbage plants cultivated in hydroponic cultures
N2 - Iodine is an essential trace element in the human diet because it is involved in the synthesis of thyroid hormones. Iodine deficiency affects over 2.2 billion people worldwide, making it a significant challenge to find plant-based sources of iodine that meet the recommended daily intake of this trace element. In this study, cabbage plants were cultivated in a hydroponic system containing iodine at concentrations ranging from 0.01 to 1.0 mg/L in the form of potassium iodide or potassium iodate. During the experiments, plant physiological parameters, biomass production, and concentration changes of iodine and selected microelements in different plant parts were investigated. In addition, the oxidation state of the accumulated iodine in root samples was determined. Results showed that iodine addition had no effect on photosynthetic efficiency and chlorophyll content. Iodide treatment did not considerably stimulate biomass production but iodate treatment increased it at concentrations less than 0.5 mg/L. Increasing iodine concentrations in the nutrient solutions increased iodine content in all plant parts; however, the iodide treatment was 2–7 times more efficient than the iodate treatment. It was concluded, that iodide addition was more favourable on the target element accumulation, however, it should be highlighted that application of this chemical form in nutrient solution decreased the concetrations of selected micoelement concentration comparing with the control plants. It was established that iodate was reduced to iodide during its uptake in cabbage roots, which means that independently from the oxidation number of iodine (+ 5, − 1) applied in the nutrient solutions, the reduced form of target element was transported to the aerial and edible tissues.
KW - BAMline
KW - XANES
KW - Synchrotron
KW - Lodine
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608330
DO - https://doi.org/10.1038/s41598-024-66575-z
VL - 14
IS - 1
SP - 1
EP - 12
PB - Springer Science and Business Media LLC
AN - OPUS4-60833
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Huang, Junhao
A1 - Klahn, Marcus
A1 - Tian, Xinxin
A1 - Bartling, Stephan
A1 - Zimina, Anna
A1 - Radtke, Martin
A1 - Rockstroh, Nils
A1 - Naliwajko, Pawel
A1 - Steinfeldt, Norbert
A1 - Peppel, Tim
A1 - Grunwaldt, Jan‐Dierk
A1 - Logsdail, Andrew J.
A1 - Jiao, Haijun
A1 - Strunk, Jennifer
T1 - Fundamental Structural and Electronic Understanding of Palladium Catalysts on Nitride and Oxide Supports
N2 - The nature of the support can fundamentally affect the function of a heterogeneous catalyst. For the novel type of isolated metal atom catalysts, sometimes referred to as single‐atom catalysts, systematic correlations are still rare. Here, we report a general finding that Pd on nitride supports (non‐metal and metal nitride) features a higher oxidation state compared to that on oxide supports (non‐metal and metal oxide). Through thorough oxidation state investigations by X‐ray absorption spectroscopy (XAS), X‐ray photoelectron spectroscopy (XPS), CO‐DRIFTS, and density functional theory (DFT) coupled with Bader charge analysis, it is found that Pd atoms prefer to interact with surface hydroxyl group to form a Pd(OH)x species on oxide supports, while on nitride supports, Pd atoms incorporate into the surface structure in the form of Pd−N bonds. Moreover, a correlation was built between the formal oxidation state and computational Bader charge, based on the periodic trend in electronegativity.
KW - BAmline
KW - XANES
KW - Catalyst
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608341
DO - https://doi.org/10.1002/anie.202400174
SN - 1433-7851
VL - 63
IS - 20
SP - 1
EP - 9
PB - Wiley
AN - OPUS4-60834
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Förste, F.
A1 - Bauer, L.
A1 - Streeck, C.
A1 - Radtke, Martin
A1 - Reinholz, Uwe
A1 - Kadow, D.
A1 - Keil, C.
A1 - Mantouvalou, I.
T1 - Quantitative Analysis and 2D/3D Elemental Imaging of Cocoa Beans Using X‑ray Fluorescence Techniques
N2 - As an important raw material for the confectionery industry, the cocoa bean (Theobroma cacao L.) has to meet certain legal requirements in terms of food safety and maximum contaminant levels in order to enter the cocoa market. Understanding the enrichment and distribution of essential minerals but also toxic metals is of utmost importance for improving the nutritional quality of this economically important raw food material. We present three X-ray fluorescence (XRF) techniques for elemental bio-imaging of intact cocoa beans and one additional XRF technique for quantitative analysis of cocoa pellets. The interrelation of all the methods presented gives a detailed picture of the content and 3D-resolved distribution of elements in complete cocoa beans for the first time.
KW - BAMline
KW - Synchrotron
KW - XRF
KW - CXC
KW - Cocoa
PY - 2023
DO - https://doi.org/10.1021/acs.analchem.2c05370
VL - 95
SP - 5627
EP - 5635
PB - ACS Publications
AN - OPUS4-57832
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Grengg, C.
A1 - Gluth, Gregor
A1 - Mittermayr, F.
A1 - Ukrainczyk, N.
A1 - Bertmer, M.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
A1 - Leis, A.
A1 - Dietzel, M.
T1 - Deterioration mechanism of alkali-activated materials in sulfuric acid and the influence of Cu: A micro-to-nano structural, elemental and stable isotopic multi-proxy study
N2 - In this study, a multi-proxy approach combining 29Si, 27Al and 1H MAS-NMR, FEG-EPMA, XANES at the Cu K-edge and XRD analytics with hydrochemical tools such as ICP-OES analyses, oxygen-isotope signatures, and thermodynamic modelling was applied to K-silicate-activated metakaolin specimens - with and without CuSO4·5H2O addition - exposed to sulfuric acid at pH = 2 for 35 days. The results revealed a multistage deterioration mechanism governed by (i) acid diffusion, (ii) leaching of K-A-S-H, (iii) microstructural damage related to precipitation of expansive (K,Ca,Al)-sulfate-hydrate phases (iv) complete dissolution of the K-A-S-H framework, (v) and formation of silica gel in the outermost corroded regions. Copper ions were mainly located in layered spertiniite-chrysocolla-like phases in the as-cured materials. The results demonstrate an overall negative effect of Cu addition on chemical material durability, implying that the reported higher durability of Cu-doped AAM in biocorrosion environments can be best explained by bacteriostatic effects.
KW - Alkali-activated materials
KW - Acid resistance
KW - Microbially induced corrosion
KW - MIC
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-520567
DO - https://doi.org/10.1016/j.cemconres.2021.106373
SN - 0008-8846
VL - 142
SP - 1
EP - 15
PB - Elsevier
CY - Oxford
AN - OPUS4-52056
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kulow, Anicó
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Reinholz, Uwe
A1 - Streli, C.
A1 - Radtke, Martin
T1 - On the way to full-field X-ray fluorescence spectroscopy imaging with coded apertures
N2 - Imaging with X-rays is a challenging field, due to the optical properties of X-rays. The fabrication of appropriate optics is usually expensive and requires an elaborate manufacturing process. One simpler and less expensive possibility of imaging high energy radiation is coded aperture imaging, a technique well established in astrophysics and also used in nuclear medicine or radiation detection, e.g., for nuclear decommissioning. Our aim is to adapt coded aperture imaging for X-ray fluorescence spectroscopy in the nearfield. In this work we show theoretical considerations and preliminary simulations of Image formation through a coded aperture and three different reconstruction methods to prepare the experiments. We used a new mask based on an inverted modified uniformly redundant array (MURA) that could be used for the construction of a decoding mask for all investigated geometrical arrangements.
The most commonly used reconstruction method, convoluting the detected image with a Decoding mask, does not always deliver satisfactory results. This is more noticeable for small distances between the object, mask and detector. Hence, we developed two new reconstruction methods, one based on iterative algebraic optimization and another one based on a genetic algorithm. Both show good performance even in those cases where the convolution method fails. This provides a basis for further investigations of the ideal parameters for near field coded aperture imaging and refinements of the algorithms. We performed first measurements with a coded aperture at the BAMline at BESSY II and could successfully reconstruct a test object from the obtained recorded images.
KW - X-ray fluorescence spectroscopy
KW - Coded aperture
KW - Imaging
KW - Iterative reconstruction
PY - 2020
DO - https://doi.org/10.1039/c9ja00232d
VL - 35
IS - 2
SP - 347
EP - 356
PB - Royal Society of Chemistry
CY - Cambridge
AN - OPUS4-50459
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Kulow, Anicó
A1 - Kabelitz, Anke
A1 - Grunewald, C.
A1 - Seidel, R.
A1 - Chapartegui-Arias, Ander
A1 - Radtke, Martin
A1 - Reinholz, Uwe
A1 - Emmerling, Franziska
A1 - Beyer, S.
T1 - Observation of early ZIF-8 crystallization stages with X-ray absorption spectroscopy
N2 - The present study investigates early stages of ZIF-8 crystallization up to 5 minutes post mixing of precursor solutions. Dispersive X-ray Absorption Spectroscopy (DXAS) provides a refined understanding of the evolution of the coordination environment during ZIF-8 crystallization. Linear Combination Fiting (LCF) suggests tetrakis(1-methylimidazole)zinc2+ to be a suitable and stable mononuclear structure analogue for some early stage ZIF-8 intermediates. Our results pave the way for more detailed studies on physico-chemical aspects of ZIF-8 crystallization to better control tailoring ZIF-8 materials for specific applications.
KW - In-situ
KW - XANES
KW - ZIF-8
KW - Crystallization
PY - 2020
DO - https://doi.org/10.1039/D0SM01356K
SN - 1744-6848
VL - 17
IS - 2
SP - 331
EP - 334
PB - Royal Scociety of Chemistry
AN - OPUS4-51723
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Lutz, C.
A1 - Breuckmann, M.
A1 - Hampel, S.
A1 - Kreyenschmidt, M.
A1 - Ke, X.
A1 - Beuermann, S.
A1 - Schafner, K.
A1 - Turek, T.
A1 - Kunz, U.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
A1 - Fittschen, U. E. A.
T1 - Characterization of Dimeric Vanadium Uptake and Species in Nafion™ and Novel Membranes from Vanadium Redox Flow Batteries Electrolytes
N2 - A core component of energy storage systems like vanadium redox flow batteries (VRFB) is the polymer electrolyte membrane (PEM). In this work, the frequently used perfluorosulfonic-acid (PFSA) membrane Nafion™ 117 and a novel poly (vinylidene difluoride) (PVDF)-based Membrane are investigated. A well-known problem in VRFBs is the vanadium permeation through the membrane. The consequence of this so-called vanadium crossover is a severe loss of capacity. For a
better understanding of vanadium transport in membranes, the uptake of vanadium ions from electrolytes containing Vdimer(IV–V) and for comparison also V(II), V(III), V(IV), and V(V) by both membranes was studied. UV/VIS spectroscopy, X-ray absorption near edge structure spectroscopy (XANES), total reflection X-ray fluorescence spectroscopy (TXRF), inductively coupled plasma optical emission spectrometry (ICP-OES), and micro X-ray fluorescence spectroscopy (microXRF) were used to determine the vanadium concentrations and the species inside the membrane. The results strongly support that Vdimer(IV–V), a dimer formed from V(IV) and V(V), enters the nanoscopic water-body of Nafion™ 117 as such. This is interesting, because as of now, only the individual ions V(IV) and V(V) were considered to be transported through the membrane. Additionally, it was found that the Vdimer(IV–V) dimer partly dissociates to the individual ions in the novel PVDF-based membrane.
The Vdimer(IV–V) dimer concentration in Nafion™ was determined and compared to those of the other species. After three days of equilibration time, the concentration of the dimer is the lowest compared to the monomeric vanadium species. The concentration of vanadium in terms of the relative uptake λ = n(V)/n(SO3
) are as follows: V(II) [λ = 0.155] > V(III) [λ = 0.137] > V(IV) [λ = 0.124] > V(V) [λ = 0.053] > Vdimer(IV–V) [λ = 0.039]. The results show that the Vdimer(IV–V) dimer Needs to be considered in addition to the other monomeric species to properly describe the transport of vanadium through Nafion™ in VRFBs.
KW - MicroXRF
KW - VRFB
KW - PVDF-based membrane
KW - UV/VIS
KW - XANES
KW - TXRF
KW - ICP-OES
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-530676
DO - https://doi.org/10.3390/membranes11080576
VL - 11
IS - 8
SP - 576
PB - MDPI
AN - OPUS4-53067
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CHAP
A1 - Radtke, Martin
A1 - Reinholz, Uwe
A1 - Guerra, M.F.
A1 - Martinón-Torres, M.
A1 - Lemasson, Q.
A1 - Moignard, B.
A1 - Pacheco, C.
A1 - Pichon, L.
A1 - Macdonald, L.
A1 - Hess, M.
A1 - Tissot, I.
ED - Guerra, M. F.
ED - Martinón-Torres, M.
ED - Quirke, S.
T1 - Analytical approaches to Egyptian goldwork
N2 - The structure and composition of ancient gold objects retain information about their long history of manufacture, from the exploitation of the ore to the finishing touches, as well as evidence of their use, deposition, and degradation. By developing an efficient analytical strategy, it is possible to retrieve that information. This chapter sets the necessary foundation 131to explore fully the analytical results presented in the following chapters of this volume. The techniques employed in the analyses of the Egyptian jewellery are described and the analytical parameters provided. For more established techniques, only brief introductions are presented, while more recent developments are presented in greater detail.
KW - Gold
KW - Synchrotron
KW - D2XRF
KW - Egypt
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-586039
DO - https://doi.org/10.17863/CAM.99681
SP - 131
EP - 191
AN - OPUS4-58603
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - C. Pardo Pérez, L.
A1 - Arndt, A.
A1 - Stojkovikj, S.
A1 - Y. Ahmet, I.
A1 - T. Arens,, J.
A1 - Dattila, F.
A1 - Wendt, R.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
A1 - Davies, V.
A1 - Höflich, K.
A1 - Köhnen, E.
A1 - Tockhorn, P.
A1 - Golnak, R.
A1 - Xiao, J.
A1 - Schuck, G.
A1 - Wollgarten, M.
A1 - López, N.
A1 - T. Mayer, M.
T1 - Determining Structure-Activity Relationships in Oxide Derived CuSn Catalysts During CO2 Electroreduction Using X-Ray Spectroscopy
N2 - The development of earth-abundant catalysts for selective electrochemical CO2 conversion is a central challenge. Cu-Sn bimetallic catalysts can yield selective CO2 reduction toward either CO or formate. This study presents oxide-derived Cu-Sn catalysts tunable for either product and seeks to understand the synergetic effects between Cu and Sn causing these selectivity trends. The materials undergo significant transformations under CO2 reduction conditions, and their dynamic bulk and surface structures are revealed by correlating observations from multiple methods—X-ray absorption spectroscopy for in situ study, and quasi in situ X-ray photoelectron spectroscopy for surface sensitivity. For both types of catalysts, Cu transforms to metallic Cu0 under reaction conditions. However, the Sn speciation and content differ significantly between the catalyst types: the CO-selective catalysts exhibit a surface Sn content of 13 at. % predominantly present as oxidized Sn, while the formate-selective catalysts display an Sn content of ≈70 at. % consisting of both metallic Sn0 and Sn oxide species. Density functional theory simulations suggest that Snδ+ sites weaken CO adsorption, thereby enhancing CO selectivity, while Sn0 sites hinder H adsorption and promote formate production. This study reveals the complex dependence of catalyst structure, composition, and speciation with electrochemical bias in bimetallic Cu catalysts.
KW - Electrochemical CO2 conversion
KW - Cu catalysts
KW - X-ray absorption spectroscopy
PY - 2022
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547116
DO - https://doi.org/10.1002/aenm.202103328
SN - 1614-6832
VL - 12
IS - 5
SP - 2103328
PB - Wiley-VCH GmbH
AN - OPUS4-54711
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Radtke, Martin
A1 - Rakotondrajoa, A.
T1 - Machine learning based quantification of synchrotron radiation-induced X-ray fluorescence measurements - a case study
N2 - In this work, we describe the use of artificial neural networks for the quantification of X-ray fluorescence measurements. The training data were generated using Monte Carlo simulation, which avoided the use of adapted reference materials. The extension of the available data set by means of an ANN to generate additional data was demonstrated. Particular emphasis was put on the comparability of simulated and experimental data and how the influence of deviations can be reduced. The search for the optimal hyperparameter, manual and automatic, is also described. For the presented case, we were able to train a network with a mean absolute error of 0.1 weight percent for the synthetic data and 0.7 weight percent for a set of experimental data obtained with certified reference materials.
KW - Machine learning
KW - BAMline
KW - XRF
KW - Synchrotron
KW - Neural network
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-519008
DO - https://doi.org/10.1088/2632-2153/abc9fb
SP - 1
EP - 16
PB - IOP Publishing
AN - OPUS4-51900
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Cakir, Cafer Tufan
A1 - Radtke, Martin
A1 - Haider, M. Bilal
A1 - Emmerling, Franziska
A1 - F. M. Oliveira, P.
A1 - Michalchuk, Adam
T1 - Dispersive x-ray absorption spectroscopy for time-resolved in situ monitoring of mechanochemical reactions
N2 - X-ray absorption spectroscopy (XAS) provides a unique, atom-specific tool to probe the electronic structure of solids. By surmounting long-held limitations of powder-based XAS using a dynamically averaged powder in a Resonant Acoustic Mixer (RAM), we demonstrate how time-resolved in situ (TRIS) XAS provides unprecedented detail of mechanochemical synthesis. The use of a custom-designed dispersive XAS (DXAS) setup allows us to increase the time resolution over existing fluorescence measurements from ∼15 min to 2 s for a complete absorption spectrum. Hence, we here establish TRIS-XAS as a viable method for studying mechanochemical reactions and sampling reaction kinetics. The generality of our approach is demonstrated through RAM-induced (i) bottom-up Au nanoparticle mechanosynthesis and (ii) the synthesis of a prototypical metal organic framework, ZIF-8. Moreover, we demonstrate that our approach also works with the addition of a stainless steel milling ball, opening the door to using TRIS-DXAS for following conventional ball milling reactions. We expect that our TRIS-DXAS approach will become an essential part of the mechanochemical tool box.
KW - In situ studies
KW - Dipsersive XAS
KW - Mechanochemistry
KW - Time-resolved
PY - 2022
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-567659
DO - https://doi.org/10.1063/5.0130673
SN - 1089-7690
VL - 157
IS - 21
SP - 1
EP - 12
PB - American Institute of Physics
CY - Melville, NY
AN - OPUS4-56765
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
A1 - Emmerling, Franziska
ED - Rogge, Andreas
ED - Meng, Birgit
T1 - Exploring new materials for Green Intelligent Building - How can our BAMline help?
N2 - In the scope of exploring and characterizing new materials related to Green Intelligent Building (GIB), we will provide an overview of the X-ray spectroscopy and diffraction analytical methods available at the BAMline /1/. and Myspot beamlines. These are two universal beamlines at the Berlin Synchrotron BESSY-II, where BAM has access and supervision role. Overarching electronic and structural properties at different time and length scales, such measurements enable a real-time characterization of materials properties. We will show-case in situ and ex situ deterioration and hydration studies on cement-based constructure materials.
T2 - 11. Jahrestagung des DAfStb mit 63. Forschungskolloquium der BAM Green Intelligent Building
CY - Berlin, Germany
DA - 16.10.2024
KW - BAMline
KW - Scope of exploring
KW - Green intelligent building
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-612882
SN - 978-3-9818564-7-7
SP - 30
EP - 36
PB - Bundesanstalt für Materialforschung und -prüfung (BAM)
CY - Berlin
AN - OPUS4-61288
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Peters, Stefan
A1 - Kunkel, Benny
A1 - Cakir, Cafer Tufan
A1 - Kabelitz, Anke
A1 - Witte, Steffen
A1 - Bernstein, Thomas
A1 - Bartling, Stephan
A1 - Radtke, Martin
A1 - Emmerling, Franziska
A1 - Abdel-Mageed, Ali Mohamed
A1 - Wohlrab, Sebastian
A1 - de Oliveira Guilherme Buzanich, Ana
T1 - Time-, space- and energy-resolved in situ characterization of catalysts by X-ray absorption spectroscopy
N2 - A novel setup for dispersive X-ray absorption spectroscopy (XAS) with simultaneous resolution of space, time and energy for in situ characterization of solid materials is demonstrated.
KW - Dispersive XAS
KW - Catalysis
KW - In situ
KW - Structure analysis
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-584924
DO - https://doi.org/10.1039/d3cc03277a
SN - 1359-7345
SP - 1
EP - 4
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-58492
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cakir, Cafer Tufan
A1 - Bogoclu, Can
A1 - Emmerling, Franziska
A1 - Streli, Christina
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
T1 - Machine learning for efficient grazing-exit x-ray absorption near edge structure spectroscopy analysis: Bayesian optimization approach
N2 - In materials science, traditional techniques for analyzing layered structures are essential for obtaining information about local structure, electronic properties and chemical states. While valuable, these methods often require high vacuum environments and have limited depth profiling capabilities. The grazing exit x-ray absorption near-edge structure (GE-XANES) technique addresses these limitations by providing depth-resolved insight at ambient conditions, facilitating in situ material analysis without special sample preparation. However, GE-XANES is limited by long data acquisition times, which hinders its practicality for various applications. To overcome this, we have incorporated Bayesian optimization (BO) into the GE-XANES data acquisition process. This innovative approach potentially reduces measurement time by a factor of 50. We have used a standard GE-XANES experiment, which serve as reference, to validate the effectiveness and accuracy of the BO-informed experimental setup. Our results show that this optimized approach maintains data quality while significantly improving efficiency, making GE-XANES more accessible to a wider range of materials science applications.
KW - Machine Learning
KW - GE-XANES
KW - Bayesian Optimization
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-603955
DO - https://doi.org/10.1088/2632-2153/ad4253
VL - 5
IS - 2
SP - 1
EP - 12
PB - IOP Publishing
AN - OPUS4-60395
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Senges, Gene
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Lindič, Tilen
A1 - Gully, Tyler A.
A1 - Winter, Marlon
A1 - Radtke, Martin
A1 - Röder, Bettina
A1 - Steinhauer, Simon
A1 - Paulus, Beate
A1 - Emmerling, Franziska
A1 - Riedel, Sebastian
T1 - Unravelling highly oxidized nickel centers in the anodic black film formed during the Simons process by in situ X-ray absorption near edge structure spectroscopy
N2 - The electrofluorination after Simons has been used for the last century to produce everyday life materials. An in situ XANES investigation of the controversially debated black film apparent in the Simons process revealed high-valent nickel centers.
KW - Synchrotron
KW - BAMline
KW - XANES
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608366
DO - https://doi.org/10.1039/d3sc06081k
SN - 2041-6520
VL - 15
IS - 12
SP - 4504
EP - 4509
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-60836
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kulow, Anicó
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Reinholz, Uwe
A1 - Emmerling, Franziska
A1 - Hampel, S.
A1 - Fittschen, U.E.A.
A1 - Streli, C.
A1 - Radtke, Martin
T1 - Comparison of three reconstruction methods based on deconvolution, iterative algorithm and neural network for X-ray fluorescence imaging with coded apertures
N2 - X-ray imaging methods are used in many fields of research, as they allow a non-destructive Investigation of the elemental content of various samples. As for every imaging method, for X-ray imaging the optics are of crucial importance. However, these optics can be very expensive and laborious to build, as the requirements on surface roughness and precision are extremely high. Angles of reflection and refraction are often in the range of a few mrad, making a compact design hard to achieve. In this work we present a possibility to simplify X-ray imaging. We have adapted the coded aperture method, a high energy radiation imaging method that has its origins in astrophysics, to full field X-ray fluorescence imaging. In coded aperture imaging, an object is projected through a known mask, the coded aperture, onto an area sensitive detector. The resulting image consists of overlapping projections of the object and a reconstruction step is necessary to obtain the information from the recorded image. We recorded fluorescence images of different samples with an energy-dispersive 2D detector (pnCCD) and investigated different reconstruction methods. With a small coded aperture with 12 holes we could significantly increase the count rate compared to measurements with a straight polycapillary optic. We show that the reconstruction of two different samples is possible with a deconvolution approach, an iterative algorithm and a neural network. These results demonstrate that X-ray fluorescence imaging with coded apertures has the potential to deliver good results without scanning and with an improved count rate, so that measurement times can be shortened compared to established methods.
KW - X-ray fluorescence imaging
KW - Coded apertures
KW - Imaging
KW - Elemental mapping
KW - Image reconstruction
PY - 2020
DO - https://doi.org/10.1039/d0ja00146e
VL - 35
IS - 7
SP - 1423
EP - 1434
PB - Royal Society of Chemistry
CY - United Kingdom
AN - OPUS4-51518
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
A1 - Yusenko, Kirill
A1 - Stawski, Tomasz
A1 - Kulow, Anicó
A1 - Cakir, Cafer Tufan
A1 - Röder, Bettina
A1 - Naese, Christoph
A1 - Britzke, Ralf
A1 - Sintschuk, Michael
A1 - Emmerling, Franziska
T1 - BAMline - A real-life sample materials research beamline
N2 - With increasing demand and environmental concerns, researchers are exploring new materials that can perform as well or better than traditional materials while reducing environmental impact. The BAMline, a real-life sample materials research beamline, provides unique insights into materials’ electronic and chemical structure at different time and length scales. The beamline specializes in x-ray absorption spectroscopy, x-ray fluorescence spectroscopy, and tomography experiments. This enables real-time optimization of material properties and performance for various applications, such as energy transfer, energy storage, catalysis, and corrosion resistance. This paper gives an overview of the analytical methods and sample environments of the BAMline, which cover non-destructive testing experiments in materials science, chemistry, biology, medicine, and cultural heritage. We also present our own synthesis methods, processes, and equipment developed specifically for the BAMline, and we give examples of synthesized materials and their potential applications. Finally, this article discusses the future perspectives of the BAMline and its potential for further advances in sustainable materials research.
KW - Extended X-ray absorption fine structure
KW - Energy storage
KW - Environmental impacts
KW - Nondestructive testing techniques
KW - X-ray fluorescence spectroscopy
KW - Corrosion
KW - Near edge X-ray absorption fine structure spectroscopy
KW - X-ray absorption spectroscopy
PY - 2023
DO - https://doi.org/10.1063/5.0157194
VL - 158
IS - 24
SP - 1
EP - 22
PB - AIP Publishing
AN - OPUS4-57824
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cakir, Cafer Tufan
A1 - Piotrowiak, T.
A1 - Reinholz, Uwe
A1 - Ludwig, A.
A1 - Emmerling, Franziska
A1 - Streli, C.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
T1 - Exploring the Depths of Corrosion: A Novel GE-XANES Technique for Investigating Compositionally Complex Alloys
N2 - In this study, we propose the use of nondestructive, depth-resolved, element-specific characterization using grazing exit X-ray absorption near-edge structure spectroscopy (GE-XANES) to investigate the corrosion process in compositionally complex alloys (CCAs). By combining grazing exit X-ray fluorescence spectroscopy (GE-XRF) geometry and a pnCCD detector, we provide a scanning-free, nondestructive, depth-resolved analysis in a sub-micrometer depth range, which is especially relevant for layered materials, such as corroded CCAs. Our setup allows for spatial and energy-resolved measurements and directly extracts the desired fluorescence line, free from scattering events and other overlapping lines. We demonstrate the potential of our approach on a compositionally complex CrCoNi alloy and a layered reference sample with known composition and specific layer thickness. Our findings indicate that this new GE-XANES approach has exciting opportunities for studying surface catalysis and corrosion processes in real-world materials.
KW - Degradation mechanisms
KW - Grazin exit XANES
KW - Depth resolved XANES
KW - Compositional complex alloys
KW - Corrosion
PY - 2023
DO - https://doi.org/10.1021/acs.analchem.3c00404
VL - 95
SP - 4810
EP - 4818
PB - ACS Publications
AN - OPUS4-57823
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kulow, Anicó
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Reinholz, Uwe
A1 - Emmerling, Franziska
A1 - Hampel, S.
A1 - Fittschen, UEA
A1 - Streli, C.
A1 - Radtke, Martin
T1 - Reconstruction for coded aperture full-field x-ray fluorescence imaging
N2 - X-ray fluorescence imaging is a well-established tool in materials characterization. In this work, we present the adaption of coded aperture imaging to full-field X-ray fluorescence imaging at the synchrotron. Coded aperture imaging has its origins in astrophysics, and has several advantages: Coded apertures are relatively easy to fabricate, achromatic, allow a high photon throughput, and high angular acceptance. Coded aperture imaging is a two-step-process, consisting of the measurement process and a reconstruction step. Different programs have been written, for the raytracing/forward projection and the reconstruction. Experiments with coded aperture in combination with a Color X-ray Camera and an energy-dispersive area detector, have been conducted at the BAMline. Measured samples were successfully reconstructed, and gave a 9.1-fold increase in count rate compared to a polycapillary optic.
KW - Synchrotron
KW - BAMline
KW - Coded Aperture
PY - 2022
SN - 1097-0002
VL - 65
SP - 57
EP - 70
PB - Cambridge University Press
CY - Cambridge
AN - OPUS4-56350
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -