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Journal of Synchrotron Radiation

Karthik S Paithankar, Robin Leslie Owen, Elspeth F Garman
Corrections to an equation and a figure in the paper by Paithankar et al. (2009). [J. Synchrotron Rad. 16, 152-162] are made.
March 1, 2018: Journal of Synchrotron Radiation
H Ikemoto
A new program called miXAFS for the analysis of X-ray absorption fine-structure (XAFS) data is presented. miXAFS can analyze the XAFS functions simultaneously for all measured X-ray absorption edges of the constituent elements in a sample under the constraints for the structural parameters over the edges. The program provides a surface plot of the R-factor as a function of two structural parameters, which is useful to validate the optimized structural parameters. The structural parameters can be obtained from the XAFS data in a few steps using the setting file and batch process...
March 1, 2018: Journal of Synchrotron Radiation
J Kieffer, S Petitdemange, T Vincent
Diffraction imaging is an X-ray imaging method which uses the crystallinity information (cell parameter, orientation) as a signal to create an image pixel by pixel: a pencil beam is raster-scanned onto a sample and the (powder) diffraction signal is recorded by a large area detector. With the flux provided by third-generation synchrotrons and the speed of hybrid pixel detectors, the acquisition speed of these experiments is now limited by the transfer rate to the local storage as the data reduction can hardly be performed in real time...
March 1, 2018: Journal of Synchrotron Radiation
J C E, L Wang, S Chen, Y Y Zhang, S N Luo
GAPD, a graphics-processing-unit (GPU)-accelerated atom-based polychromatic diffraction simulation code for direct, kinematics-based, simulations of X-ray/electron diffraction of large-scale atomic systems with mono-/polychromatic beams and arbitrary plane detector geometries, is presented. This code implements GPU parallel computation via both real- and reciprocal-space decompositions. With GAPD, direct simulations are performed of the reciprocal lattice node of ultralarge systems (∼5 billion atoms) and diffraction patterns of single-crystal and polycrystalline configurations with mono- and polychromatic X-ray beams (including synchrotron undulator sources), and validation, benchmark and application cases are presented...
March 1, 2018: Journal of Synchrotron Radiation
Kyo Nakajima, Yasumasa Joti, Tetsuo Katayama, Shigeki Owada, Tadashi Togashi, Toshinori Abe, Takashi Kameshima, Kensuke Okada, Takashi Sugimoto, Mitsuhiro Yamaga, Takaki Hatsui, Makina Yabashi
X-ray free-electron laser (XFEL) pulses from SPring-8 Ångstrom Compact free-electron LAser (SACLA) with a temporal duration of <10 fs have provided a variety of benefits in scientific research. In a previous study, an arrival-timing monitor was developed to improve the temporal resolution in pump-probe experiments at beamline 3 by rearranging data in the order of the arrival-timing jitter between the XFEL and the synchronized optical laser pulses. This paper presents Timing Monitor Analyzer (TMA), a software package by which users can conveniently obtain arrival-timing data in the analysis environment at SACLA...
March 1, 2018: Journal of Synchrotron Radiation
M Moretti Sala, K Martel, C Henriquet, A Al Zein, L Simonelli, Ch J Sahle, H Gonzalez, M C Lagier, C Ponchut, S Huotari, R Verbeni, M Krisch, G Monaco
An end-station for resonant inelastic X-ray scattering and (resonant) X-ray emission spectroscopy at beamline ID20 of ESRF - The European Synchrotron is presented. The spectrometer hosts five crystal analysers in Rowland geometry for large solid angle collection and is mounted on a rotatable arm for scattering in both the horizontal and vertical planes. The spectrometer is optimized for high-energy-resolution applications, including partial fluorescence yield or high-energy-resolution fluorescence detected X-ray absorption spectroscopy and the study of elementary electronic excitations in solids...
March 1, 2018: Journal of Synchrotron Radiation
Henrik Enquist, Andrius Jurgilaitis, Amelie Jarnac, Åsa U J Bengtsson, Matthias Burza, Francesca Curbis, Christian Disch, J Carl Ekström, Maher Harb, Lennart Isaksson, Marija Kotur, David Kroon, Filip Lindau, Erik Mansten, Jesper Nygaard, Anna I H Persson, Van Thai Pham, Michael Rissi, Sara Thorin, Chien Ming Tu, Erik Wallén, Xiaocui Wang, Sverker Werin, Jörgen Larsson
The FemtoMAX beamline facilitates studies of the structural dynamics of materials. Such studies are of fundamental importance for key scientific problems related to programming materials using light, enabling new storage media and new manufacturing techniques, obtaining sustainable energy by mimicking photosynthesis, and gleaning insights into chemical and biological functional dynamics. The FemtoMAX beamline utilizes the MAX IV linear accelerator as an electron source. The photon bursts have a pulse length of 100 fs, which is on the timescale of molecular vibrations, and have wavelengths matching interatomic distances (Å)...
March 1, 2018: Journal of Synchrotron Radiation
Christian Dullin, Jonas Albers, Giuliana Tromba, Marie Andrä, Marco Ramilli, Anna Bergamaschi
Due to the complexity of the underlying pathomechanism, in vivo mouse lung-disease models continue to be of great importance in preclinical respiratory research. Longitudinal studies following the cause of a disease or evaluating treatment efficacy are of particular interest but challenging due to the small size of the mouse lung and the fast breathing rate. Synchrotron-based in-line phase-contrast computed tomography imaging has been successfully applied in lung research in various applications, but mostly at dose levels that forbid longitudinal in vivo studies...
March 1, 2018: Journal of Synchrotron Radiation
Rongbiao Tang, Fuhua Yan, Guo Yuan Yang, Ke Min Chen
Portal vein imaging is an important method for investigating portal venous disorders. However, the diagnostic requirements are not usually satisfied when using single imaging techniques. Diagnostic accuracy can be improved by combining different imaging techniques. Contrast agents that can be used for combined imaging modalities are needed. In this study, the feasibility of using microbubbles containing gadolinium (MCG) as contrast agents for both phase contrast imaging (PCI) and magnetic resonance imaging (MRI) are investigated...
March 1, 2018: Journal of Synchrotron Radiation
Hanwook Park, Sung Yong Jung, Jun Hong Park, Jun Ho Kim, Sang Joon Lee
The X-ray PIV (particle image velocimetry) technique has been used as a non-invasive measurement modality to investigate the haemodynamic features of blood flow. However, the extraction of two-dimensional velocity field data from the three-dimensional volumetric information contained in X-ray images is technically unclear. In this study, a new two-dimensional velocity field extraction technique is proposed to overcome technological limitations. To resolve the problem of finding a correction coefficient, the velocity field information obtained by X-ray PIV and micro-PIV techniques for disturbed flow in a concentric stenosis with 50% severity was quantitatively compared...
March 1, 2018: Journal of Synchrotron Radiation
Cedrick O'Shaughnessy, Grant S Henderson, Benjamin J A Moulton, Lucia Zuin, Daniel R Neuville
The first comprehensive Li K-edge XANES study of a varied suite of Li-bearing minerals is presented. Drastic changes in the bonding environment for lithium are demonstrated and this can be monitored using the position and intensity of the main Li K-absorption edge. The complex silicates confirm the assignment of the absorption edge to be a convolution of triply degenerate p-like states as previously proposed for simple lithium compounds. The Li K-edge position depends on the electronegativity of the element to which it is bound...
March 1, 2018: Journal of Synchrotron Radiation
Didem Ketenoglu, Georg Spiekermann, Manuel Harder, Erdinc Oz, Cevriye Koz, Mehmet C Yagci, Eda Yilmaz, Zhong Yin, Christoph J Sahle, Blanka Detlefs, Hasan Yavaş
The effects of varying LiPF6 salt concentration and the presence of lithium bis(oxalate)borate additive on the electronic structure of commonly used lithium-ion battery electrolyte solvents (ethylene carbonate-dimethyl carbonate and propylene carbonate) have been investigated. X-ray Raman scattering spectroscopy (a non-resonant inelastic X-ray scattering method) was utilized together with a closed-circle flow cell. Carbon and oxygen K-edges provide characteristic information on the electronic structure of the electrolyte solutions, which are sensitive to local chemistry...
March 1, 2018: Journal of Synchrotron Radiation
Anastasia V Blake, Haochuan Wei, Courtney M Donahue, Kyounghoon Lee, Jason M Keith, Scott R Daly
P K-edge X-ray absorption near-edge structure (XANES) spectroscopy is a powerful method for analyzing the electronic structure of organic and inorganic phosphorus compounds. Like all XANES experiments, P K-edge XANES requires well defined and readily accessible calibration standards for energy referencing so that spectra collected at different beamlines or under different conditions can be compared. This is especially true for ligand K-edge X-ray absorption spectroscopy, which has well established energy calibration standards for Cl (Cs2 CuCl4 ) and S (Na2 S2 O3 ·5H2 O), but not neighboring P...
March 1, 2018: Journal of Synchrotron Radiation
Ondřej Šipr, Jiří Vackář, Ján Minár
X-ray absorption spectra calculated within an effective one-electron approach have to be broadened to account for the finite lifetime of the core hole. For methods based on Green's function this can be achieved either by adding a small imaginary part to the energy or by convoluting the spectra on the real axis with a Lorentzian. By analyzing the Fe K- and L2,3 -edge spectra it is demonstrated that these procedures lead to identical results only for energies higher than a few core-level widths above the absorption edge...
March 1, 2018: Journal of Synchrotron Radiation
Linjuan Zhang, Meiying Qie, Jing Su, Shuo Zhang, Jing Zhou, Jiong Li, Yu Wang, Shitong Yang, Shuao Wang, Jingye Li, Guozhong Wu, Jian Qiang Wang
The present study sheds some light on the long-standing debate concerning the coordination properties between uranyl ions and the amidoxime ligand, which is a key ingredient for achieving efficient extraction of uranium. Using X-ray absorption fine structure combined with theoretical simulation methods, the binding mode and bonding nature of a uranyl-amidoxime complex in aqueous solution were determined for the first time. The results show that in a highly concentrated amidoxime solution the preferred binding mode between UO2 2+ and the amidoxime ligand is η2 coordination with tris-amidoximate species...
March 1, 2018: Journal of Synchrotron Radiation
Xu Hong, Jianbin Zhou, Shijun Ni, Yingjie Ma, Jianfeng Yao, Wei Zhou, Yi Liu, Min Wang
High-precision measurement of X-ray spectra is affected by the statistical fluctuation of the X-ray beam under low-counting-rate conditions. It is also limited by counting loss resulting from the dead-time of the system and pile-up pulse effects, especially in a high-counting-rate environment. In this paper a detection system based on a FAST-SDD detector and a new kind of unit impulse pulse-shaping method is presented, for counting-loss correction in X-ray spectroscopy. The unit impulse pulse-shaping method is evolved by inverse deviation of the pulse from a reset-type preamplifier and a C-R shaper...
March 1, 2018: Journal of Synchrotron Radiation
Sen Chen, Sheng Nian Luo
Polychromatic X-ray sources can be useful for photon-starved small-angle X-ray scattering given their high spectral fluxes. Their bandwidths, however, are 10-100 times larger than those using monochromators. To explore the feasibility, ideal scattering curves of homogeneous spherical particles for polychromatic X-rays are calculated and analyzed using the Guinier approach, maximum entropy and regularization methods. Monodisperse and polydisperse systems are explored. The influence of bandwidth and asymmetric spectra shape are explored via Gaussian and half-Gaussian spectra...
March 1, 2018: Journal of Synchrotron Radiation
Suelen F Barros, Vito R Vanin, Alexandre A Malafronte, Nora L Maidana, Marcos N Martins
Dead-time effects in X-ray spectra taken with a digital pulse processor and a silicon drift detector were investigated when the number of events at the low-energy end of the spectrum was more than half of the total, at counting rates up to 56 kHz. It was found that dead-time losses in the spectra are energy dependent and an analytical correction for this effect, which takes into account pulse pile-up, is proposed. This and the usual models have been applied to experimental measurements, evaluating the dead-time fraction either from the calculations or using the value given by the detector acquisition system...
March 1, 2018: Journal of Synchrotron Radiation
Marina A Andreeva, Roman A Baulin, Aleksandr I Chumakov, Rudolf Rüffer, Gennadii V Smirnov, Yurii A Babanov, Denis I Devyaterikov, Mikhail A Milyaev, Dmitrii A Ponomarev, Lazar N Romashev, Vladimir V Ustinov
Mössbauer reflectivity spectra and nuclear resonance reflectivity (NRR) curves have been measured using the Synchrotron Mössbauer Source (SMS) for a [57 Fe/Cr]30 periodic multilayer, characterized by the antiferromagnetic interlayer coupling between adjacent57 Fe layers. Specific features of the Mössbauer reflectivity spectra measured with π-polarized radiation of the SMS near the critical angle and at the `magnetic' maximum on the NRR curve are analyzed. The variation of the ratio of lines in the Mössbauer reflectivity spectra and the change of the intensity of the `magnetic' maximum under an applied external field has been used to reveal the transformation of the magnetic alignment in the investigated multilayer...
March 1, 2018: Journal of Synchrotron Radiation
Oleg A Drozhzhin, Ivan V Tereshchenko, Hermann Emerich, Evgeny V Antipov, Artem M Abakumov, Dmitry Chernyshov
A new multi-purpose operando electrochemical cell was designed, constructed and tested on the Swiss-Norwegian Beamlines BM01 and BM31 at the European Synchrotron Radiation Facility. Single-crystal sapphire X-ray windows provide a good signal-to-noise ratio, excellent electrochemical contact because of the constant pressure between the electrodes, and perfect electrochemical stability at high potentials due to the inert and non-conductive nature of sapphire. Examination of the phase transformations in the Li1-x Fe0...
March 1, 2018: Journal of Synchrotron Radiation
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