Optimization of the energy dispersive x-ray fluorescence spectrometer for

Abstract This study developed a method to detect and analyze deterioration in sections of a battery during charge–discharge tests in real time. This method is based on a time‐series analysis using x‐ray computed tomography, three‐dimensional reconstruction of the battery volume, and unsupervised machine learning. The developed method detects not only electrochemical changes in a battery through the conventional voltage‐capacity diagram but also physical changes such as the deterioration of the parts of a battery that cannot be found via human inspection directly from the sliced images of the three‐dimensional reconstructed volumes. Furthermore, the characteristics of these changes inside a battery can be captured through precise analysis using persistent homology, a mathematical machinery, at degrees 0 and 1. This demonstrates that our method can capture both continuous and discrete structural changes (e.g., a continuous deformation of active materials and compounds that are precipitated randomly in the electrolytes) within a battery. As a by‐product, the start of the venting system implemented near the anode of a battery can be detected using the method from a specific cycle during the charge–discharge tests.

Abstract The iron sand around Mt. Aburayama (Fukuoka, Japan), where various ancient iron‐making sites are located, was investigated to establish a research infrastructure for identification of the raw material used in the archeological iron artifacts excavated from this area. Iron sand samples were magnetically collected from the rivers flowing in this area and nearby outcrop soil. The samples were qualitatively analyzed using Mössbauer spectroscopy and x‐ray diffractometry to identify the minerals present inside them. Additionally, the elemental concentrations in these samples were determined using x‐ray fluorescence spectrometry. The iron sand samples were characterized by comparing them with those from other Japanese regions using scatter diagrams developed based on the elemental concentrations in the samples. The scatter diagrams showed clear distinctions between the iron sand samples from the Mt. Aburayama area and other Japanese regions. These diagrams may enable us to clarify the relationship between the iron sand and archeological iron artifacts found in the vicinity of Mt. Aburayama.

Abstract The oil industries have as main problem in their activities of formation of scales containing material of the naturally occurring radioactive material (NORM) type on the internal walls of pipes and in some equipment that make up the process lines plant. This NORM can contribute to the exposure of workers during routine activities, either through external exposure, or internal, through inhalation or ingestion. Considering the concern with occupational exposure, environmental impacts and the plant's production capacity, resulting from the formation of the scales, this work characterized samples of scale by means of techniques of x‐ray fluorescence (XRF), x‐ray diffraction (XRD) and high‐resolution gamma spectrometry. The XRF showed concentrations of P, S, Cl, Ca, Mn, Fe, Sr, and Ba as the main elements of the sample; the XRD showed calcite and barite as predominant composition; in the gamma analysis, the concentrations of the activities varied from 104.6 to 1112.6 Bq kg−1 for 226Ra and from 16.4 to 385.2 Bq kg−1 for 228Ra, within the limits set by the International Atomic Energy Agency. The indices radium equivalent activity, absorbed dose rate and annual effective dose indices varied from 128.4 to 1665.9 Bq kg1; 58.4 to 748.0 nGy h−1 and 0.072 to 0.918 mSv y−1, respectively. Only the effective dose values ​​were within the limits established by United Nations Scientific Committee on the Effects of Atomic Radiation, reinforcing the need for continuous monitoring on the platforms and the importance of keeping the radiological protection plan up to date, since the mobilization of NORM increases proportionally with the useful life of the production wells, thus increasing exposure indices.

‘Πάντα ῥεῖ’—‘everything flows’ A saying in Ancient Greek, attributed to the philosopher Heraclitus of Ephesus, states ‘τὰ πάντα ῥεῖ καὶ οὐδὲν μένει’. It may be translated to ‘everything flows, and nothing stays’. Late 2020, a few months after the passing of Prof. Dr. Jean-Claude Dousse, we published an editorial to commemorate his scientific carrier. In this short summary,1 we anticipated the launch of a special issue ‘In Memoriam Jean-Claude Dousse’. It took us time to put it together, to involve and give time to all colleagues who wanted to contribute to this special issue, especially in view of the recent COVID-19 pandemic, and we are happy to present it here. We truly believed that it was important that the Special Issue is seeing the light. Many scientists have contributed to this Special Issue, which will give the readers of Wiley X-Ray Spectrometry journal an overview of the fields of science in which the imprints and legacy of Jean-Claude Dousse may be found. We would like here to thank all the authors, the reviewers, the editorial team at X-ray Spectrometry, for their time, their work, for their will to contribute to this venture. We would also like to express our appreciation of the numerous expressions of support to this initiative, whether these were followed by a contribution or not. We also recall with a lot of emotions, the feedback received after the special session ‘In Memoriam Jean-Claude Dousse’ we organised during the European X-Ray Spectrometry (EXRS) 2022 Conference,2 under the auspices of EXSA3 and of its members part of the EXRS’ International Advisory Committee. This session, widely attended, has been the opportunity to elaborate on present scientific achievements in various fields of research linked to high-resolution X-ray spectroscopy, while grounding them into the past, and looking towards future developments. The common threads to all these works, were the impact that Jean-Claude's scientific journey had on the science, and that his generous personality, one that has forged trust, that has led to scientific respect he had on his colleagues, collaborators and alumni. A sentence was repeated by all speakers ‘I was one of the lucky persons who […]’ learnt, worked, collaborated, knew Jean-Claude. Indeed, the passion with which Jean-Claude was dealing with science, learning and acting on the world using his scientific imagination and curiosity while providing a heart-centred scientific education and collaboration to his pairs, shined during this session. It is mirrored in this Special Issue. Engraved in the trophy given to him in 2018 at the occasion of the attribution of his title of emeritus professor by the University of Fribourg, Switzerland, were these words: ‘X-Rays are forever’. Without doubt, the scientific legacy of Jean-Claude will be remembered in the X-ray Spectrometry community, and his works will continue to lay the foundations to many upcoming scientific breakthroughs. Science will keep providing advancement, and impacting our lives, while simultaneously, ‘Πάντα ῥεῖ’—‘everything flows’. But this XRS Special Issue will stay in the literature, and we hope that with it, together with all contributors, to have honoured Jean-Claude Dousse.

As the third wave of the COVID-19 pandemic was sweeping across Europe, many researchers, and especially young scientists, were struggling to disseminate their work, discussing new projects, and finding their place in science. The X-ray Spectrometry community was no exception. True to its purposes and objectives, the European X-ray Spectrometry Association (EXSA) decided to organize its first “virtual conference on X-ray Spectrometry,” #EXSA2021, to tighten and consolidate the links in between its members, and to propose a collaborating and networking platform where representatives from academia, industrial and private sector, and metrology institutes, could meet and exchange ideas and progresses. In a nutshell, the main objective of EXSA (www.exsa.hu) is to promote innovation and cooperation of X-ray spectroscopists and analysts within Europe by supporting talented young scientists; by fostering the interface between the academic and industrial sector (via activities such as the Fundamental Parameter Initiative); promoting X-ray Spectrometry courses and providing high-quality training via for instance the (co) organization of schools and workshops on novel and emerging X-ray Spectrometry topics. The next event will be held in Paris (France) in late October 2023. If one wanted to learn about the latest research and technologies in X-ray Spectrometry on the following topics: XRS in environmental applications, XRS for novel materials including, for example, batteries, nanostructures, instrumental development for XRS and its applications, and fundamental parameters, #EXSA2021 was the conference to join. Not only the event featured a collection of exclusive talks from leading scientists, but also contributions from young scientists, lively poster sessions, and in-depth thoughts during round tables and discussions. It also concluded with the meeting of the International Initiative on Fundamental Parameter. With 5 invited talks, 26 oral contributions, and 22 posters, #EXSA2021 went beyond our expectations. Please refer to our website https://www.exsa.hu/conf2021/ for more information. Open to all, and widely disseminated by word of mouth by EXSA members, #EXSA2021 was a true success with 128 participants, among which 20% were from the industry, 40% were non-EXSA members and with, on average, 72 persons attending per session. Indeed, to allow for a worldwide participation, the conference was organized as long sessions taking place from noon to late afternoon European time, which offered the possibility to join for attendees from different time zones. Despite a very lively event, and dynamics in EXSA community, only a few manuscripts were received to contribute to #EXSA2021 proceedings. These are as eclectic in contents as the X-ray Spectrometry fields of research are, and we are happy to share those with you in this special issue. We would like to express our appreciation and sincere thanks to those who made the #EXSA2021 possible. Our sponsors, for their great support to EXSA throughout all the years, and we would also like to thank the PTB (Physikalisch Technische Bundesanstalt, Germany) for providing us with the online platform and technical assistance, and Wiley X-ray Spectrometry journal, for providing awards to the best poster and best oral presentation of young scientists, and supporting the publication of these proceedings. The help by the program committee, the involvement of the moderators and speakers of the round tables, session chairs, and award committee was unvaluable to insure a well-balanced, interactive, and dynamic #EXSA2021. Finally, we are grateful to everyone who participated to #EXSA2021. We hope that you have as good memories of our #EXSA2021 virtual conference as we do! #EXSA2021 Chairs, Diane Eichert and Michael Kolbe.

X-ray laser pioneer receives Isaac Newton Medal and Prize (October 25, 2022) The Isaac Newton Medal and Prize for 2022 was given to Professor Margaret Murnane (University of Colorado, Boulder, USA) for pioneering and sustained contributions to the development of ultrafast lasers and coherent X-ray sources and the use of such sources to understand the quantum nature of materials. Nowadays, it is well known that ultrashort pulses and coherent light in the soft and hard X-ray regions can be obtained by using high-order harmonics of infrared laser source. The research group led by Professor Murnane is a pioneer in the development of such advanced tabletop X-ray laser and the new research. One of the most impressive reports for many X-ray users is the laboratory XAFS with 109 counts/s (1% bandwidth) intensity at around C-K, Fe-LIII, and Sc-LIII absorption edges in the soft X-ray region (0.2–1.6 keV) (D. Popmintchev et al., “Near- and Extended-Edge X-Ray-Absorption Fine-Structure Spectroscopy Using Ultrafast Coherent High-Order Harmonic Supercontinua,” Phys. Rev. Lett. 120, 093002 (2018). https://doi.org/10.1103/PhysRevLett.120.093002). Some of the recent stimulating progresses is advanced ptychographic imaging such as linear dichroism imaging of molecular orientation in nanodomains (see, for example, Yuan Hung Lo et al., “X-ray linear dichroic ptychography,” Proceedings of the National Academy of Sciences 118, e2019068118 (2021). https://doi.org/10.1073/pnas.2019068118; Arjun Rana et al., “Direct observation of 3D topological spin textures and their interactions using soft x-ray vector ptychography,” submitted. https://doi.org/10.48550/arXiv.2104.12933). For further information on the Isaac Newton Medal and Prize, visit the Web page, https://www.iop.org/about/awards/isaac-newton-medal-and-prize/isaac-newton-medal-and-prize-recipients.

Abstract Due to the small quantity of most of the extracted human urinary stone samples, there is an urgent need for an analytical technique that is able to perform a multi‐elemental quantitative analysis for a small fraction of these samples. In the present work, a few milligrams of different types of urinary stones were microwave digested in ultra‐pure nitric acid, and the elemental determination was achieved by total reflection X‐ray fluorescence (TXRF). The elements P, S, Ca, Fe, Cu, Zn, Se, and Sr were detected in most of the different stones. However, the trace elements: K, Ti, V, Cr, Mn, Ni, As, Pb, and U were also found in a certain number of samples. Furthermore, inductively coupled plasma optical emission spectrometry (ICP‐OES) was used and the elements Mg, Ti, Mn, Cu, Zn, and Cd were determined. A good agreement between the results of TXRF and ICP‐OES was obtained with respect to the elements Ti, Mn, Cu, and Zn. Cadmium and magnesium were only determined by ICP‐OES. More attention was given to the existence and the spectral interference of As‐K α and Pb‐L α as well as As‐K β and Br‐K α in a limited number of urinary stones. Based on the analysis of variance and Pearson's correlation analysis, an additional statistical analysis study was performed in terms of quantified elements and the types of urinary stones. Calcium has a remarkable positive correction with Ni, Zn, and P, whereas a negative correlation was found with K, S, and Cu. Based on the hierarchical cluster analysis, the square Euclidean showed four main groups of urinary stones starting with high to trace amounts of calcium oxalate. Furthermore, the squared Euclidean showed further subgroups of the urinary stones. The role of certain elements in terms of forming or inhabiting the urinary stone formation was discussed. Uranium was determined in a limited number of urinary stones using TXRF and ICP‐OES. The origin of the uranium may be the drinking and groundwater. Uranium could be accumulated in the urinary stones from these sources. In addition, the divalent uranium compounds can deposit on the surface of hydroxyapatite crystal, which is one of the main compounds in the urinary stones.

Abstract We studied the electronic structure of lithium metal, lithium fluoride, and spodumene using density functional theory. We performed calculations of the total, local and partial density of states, and x‐ray emission spectra. We observed changes in the Li K spectra shape and energy position due to the chemical structure and composition modification. We also outline possible interferences between emission bands.