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In situ characterization of stresses, deformation and fracture of thin films using transmission X-ray nanodiffraction microscopy. Corrigendum. 利用透射 X 射线纳米衍射显微镜对薄膜的应力、变形和断裂进行现场表征。更正。
IF 2.5 3区 物理与天体物理 Pub Date : 2024-09-01 Epub Date: 2024-08-06 DOI: 10.1107/S1600577524006283
Gudrun Lotze, Anand H S Iyer, Olof Bäcke, Sebastian Kalbfleisch, Magnus Hörnqvist Colliander

Errors in variable subscripts, equations and Fig. 8 in Section 3.2 of the article by Lotze et al. [(2024). J. Synchrotron Rad. 31, 42-52] are corrected.

Lotze 等人的文章[(2024). J. Synchrotron Rad. 31, 42-52]第 3.2 节中变量下标、公式和图 8 中的错误已更正。
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引用次数: 0
Accelerating imaging research at large-scale scientific facilities through scientific computing. 通过科学计算加速大型科学设施的成像研究。
IF 2.5 3区 物理与天体物理 Pub Date : 2024-09-01 Epub Date: 2024-08-27 DOI: 10.1107/S1600577524007239
Chunpeng Wang, Xiaoyun Li, Rongzheng Wan, Jige Chen, Jing Ye, Ke Li, Aiguo Li, Renzhong Tai, Alessandro Sepe

To date, computed tomography experiments, carried-out at synchrotron radiation facilities worldwide, pose a tremendous challenge in terms of the breadth and complexity of the experimental datasets produced. Furthermore, near real-time three-dimensional reconstruction capabilities are becoming a crucial requirement in order to perform high-quality and result-informed synchrotron imaging experiments, where a large amount of data is collected and processed within a short time window. To address these challenges, we have developed and deployed a synchrotron computed tomography framework designed to automatically process online the experimental data from the synchrotron imaging beamlines, while leveraging the high-performance computing cluster capabilities to accelerate the real-time feedback to the users on their experimental results. We have, further, integrated it within a modern unified national authentication and data management framework, which we have developed and deployed, spanning the entire data lifecycle of a large-scale scientific facility. In this study, the overall architecture, functional modules and workflow design of our synchrotron computed tomography framework are presented in detail. Moreover, the successful integration of the imaging beamlines at the Shanghai Synchrotron Radiation Facility into our scientific computing framework is also detailed, which, ultimately, resulted in accelerating and fully automating their entire data processing pipelines. In fact, when compared with the original three-dimensional tomography reconstruction approaches, the implementation of our synchrotron computed tomography framework led to an acceleration in the experimental data processing capabilities, while maintaining a high level of integration with all the beamline processing software and systems.

迄今为止,在全球同步辐射设施中进行的计算机断层扫描实验在实验数据集的广度和复杂性方面提出了巨大挑战。此外,在短时间内收集和处理大量数据的同步辐射成像实验中,近乎实时的三维重建能力正成为执行高质量和结果可靠的同步辐射成像实验的关键要求。为了应对这些挑战,我们开发并部署了一个同步辐射计算机断层扫描框架,旨在自动在线处理来自同步辐射成像光束线的实验数据,同时利用高性能计算集群的能力,加速向用户实时反馈实验结果。此外,我们还将其集成到一个现代化的统一国家认证和数据管理框架中,该框架是我们开发和部署的,横跨大型科学设施的整个数据生命周期。本研究详细介绍了同步辐射计算机断层扫描框架的整体架构、功能模块和工作流程设计。此外,还详细介绍了上海同步辐射设施成像光束线与我们的科学计算框架的成功集成,最终实现了其整个数据处理管道的加速和完全自动化。事实上,与最初的三维断层成像重建方法相比,我们的同步辐射计算机断层扫描框架在保持与所有光束线处理软件和系统高度集成的同时,加速了实验数据处理能力。
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引用次数: 0
Hyperspectral full-field quick-EXAFS imaging at the ROCK beamline for monitoring micrometre-sized heterogeneity of functional materials under process conditions. 在 ROCK 光束线进行高光谱全场快速-EXAFS 成像,用于监测加工条件下功能材料的微米级异质性。
IF 2.5 3区 物理与天体物理 Pub Date : 2024-09-01 Epub Date: 2024-08-23 DOI: 10.1107/S1600577524006581
Valérie Briois, Jean Paul Itié, Alain Polian, Andrew King, Aliou Sadia Traore, Eric Marceau, Ovidiu Ersen, Camille La Fontaine, Laurent Barthe, Anthony Beauvois, Olga Roudenko, Stéphanie Belin

Full-field transmission X-ray microscopy has been recently implemented at the hard X-ray ROCK-SOLEIL quick-EXAFS beamline, adding micrometre spatial resolution to the second time resolution characterizing the beamline. Benefiting from a beam size versatility due to the beamline focusing optics, full-field hyperspectral XANES imaging has been successfully used at the Fe K-edge for monitoring the pressure-induced spin transition of a 150 µm × 150 µm Fe(o-phen)2(NCS)2 single crystal and the charge of millimetre-sized LiFePO4 battery electrodes. Hyperspectral imaging over 2000 eV has been reported for the simultaneous monitoring of Fe and Cu speciation changes during activation of a FeCu bimetallic catalyst along a millimetre-sized catalyst bed. Strategies of data acquisition and post-data analysis using Jupyter notebooks and multivariate data analysis are presented, and the gain obtained using full-field hyperspectral quick-EXAFS imaging for studies of functional materials under process conditions in comparison with macroscopic information obtained by non-spatially resolved quick-EXAFS techniques is discussed.

最近,在硬 X 射线 ROCK-SOLEIL 快速-EXAFS 光束线实施了全场透射 X 射线显微镜技术,在光束线第二时间分辨率的基础上增加了微米空间分辨率。得益于光束线聚焦光学系统带来的光束尺寸多样性,全场高光谱 XANES 成像已成功用于铁 K 边,以监测 150 微米 × 150 微米 Fe(o-phen)2(NCS)2 单晶的压力诱导自旋转变以及毫米级磷酸铁锂电池电极的电荷。据报道,在铁铜双金属催化剂沿毫米大小的催化剂床活化过程中,2000 eV 以上的高光谱成像可同时监测铁和铜的种类变化。报告介绍了使用 Jupyter 笔记本和多元数据分析进行数据采集和后期数据分析的策略,并讨论了使用全场高光谱快速-EXAFS 成像研究过程条件下的功能材料与非空间分辨快速-EXAFS 技术获得的宏观信息相比所获得的收益。
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引用次数: 0
New achievements in orbital angular momentum beam characterization using a Hartmann wavefront sensor and the Kirkpatrick-Baez active optical system KAOS. 利用哈特曼波前传感器和 Kirkpatrick-Baez 主动光学系统 KAOS 进行轨道角动量光束鉴定的新成果。
IF 2.5 3区 物理与天体物理 Pub Date : 2024-09-01 Epub Date: 2024-08-16 DOI: 10.1107/S160057752400626X
Luka Novinec, Matteo Pancaldi, Flavio Capotondi, Giovanni De Ninno, Francesco Guzzi, George Kourousias, Emanuele Pedersoli, Barbara Ressel, Benedikt Rösner, Alberto Simoncig, Marco Zangrando, Michele Manfredda

Advances in physics have been significantly driven by state-of-the-art technology, and in photonics and X-ray science this calls for the ability to manipulate the characteristics of optical beams. Orbital angular momentum (OAM) beams hold substantial promise in various domains such as ultra-high-capacity optical communication, rotating body detection, optical tweezers, laser processing, super-resolution imaging etc. Hence, the advancement of OAM beam-generation technology and the enhancement of its technical proficiency and characterization capabilities are of paramount importance. These endeavours will not only facilitate the use of OAM beams in the aforementioned sectors but also extend the scope of applications in diverse fields related to OAM beams. At the FERMI Free-Electron Laser (Trieste, Italy), OAM beams are generated either by tailoring the emission process on the undulator side or, in most cases, by coupling a spiral zone plate (SZP) in tandem with the refocusing Kirkpatrick-Baez active optic system (KAOS). To provide a robust and reproducible workflow to users, a Hartmann wavefront sensor (WFS) is used for both optics tuning and beam characterization. KAOS is capable of delivering both tightly focused and broad spots, with independent control over vertical and horizontal magnification. This study explores a novel non-conventional `near collimation' operational mode aimed at generating beams with OAM that employs the use of a lithographically manufactured SZP to achieve this goal. The article evaluates the mirror's performance through Hartmann wavefront sensing, offers a discussion of data analysis methodologies, and provides a quantitative analysis of these results with ptychographic reconstructions.

最先进的技术极大地推动了物理学的发展,而在光子学和 X 射线科学领域,这就要求具备操纵光束特性的能力。轨道角动量(OAM)光束在超大容量光通信、旋转体探测、光学镊子、激光加工、超分辨率成像等多个领域大有可为。因此,OAM 光束生成技术的进步及其技术熟练程度和表征能力的提高至关重要。这些努力不仅将促进 OAM 光束在上述领域的应用,还将扩大与 OAM 光束相关的各个领域的应用范围。在 FERMI 自由电子激光器(意大利的里雅斯特)上,OAM 光束是通过调整起爆器侧的发射过程产生的,或者在大多数情况下,是通过将螺旋区板(SZP)与重新聚焦的 Kirkpatrick-Baez 有源光学系统(KAOS)耦合在一起产生的。为了向用户提供稳健、可重复的工作流程,哈特曼波前传感器(WFS)被用于光学调整和光束鉴定。KAOS 既能提供紧聚焦光斑,也能提供宽光斑,并能独立控制垂直和水平放大率。本研究探讨了一种新颖的非常规 "近准直 "操作模式,该模式旨在利用光刻制造的 SZP 生成具有 OAM 的光束,从而实现这一目标。文章通过哈特曼波前传感对反射镜的性能进行了评估,对数据分析方法进行了讨论,并通过层析重构对这些结果进行了定量分析。
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引用次数: 0
A 1D imaging soft X-ray spectrometer for the small quantum systems instrument at the European XFEL. 用于欧洲 XFEL 小型量子系统仪器的一维成像软 X 射线光谱仪。
IF 2.5 3区 物理与天体物理 Pub Date : 2024-09-01 Epub Date: 2024-07-30 DOI: 10.1107/S1600577524005988
Marcus Agåker, Johan Söderström, Thomas M Baumann, Carl Johan Englund, Ludvig Kjellsson, Rebecca Boll, Alberto De Fanis, Simon Dold, Tommaso Mazza, Jacobo Montaño, Astrid Münnich, Terence Mullins, Yevheniy Ovcharenko, Nils Rennhack, Philipp Schmidt, Björn Senfftleben, Monica Turcato, Sergey Usenko, Michael Meyer, Joseph Nordgren, Jan Erik Rubensson

A 1D imaging soft X-ray spectrometer installed on the small quantum systems (SQS) scientific instrument of the European XFEL is described. It uses movable cylindrical constant-line-spacing gratings in the Rowland configuration for energy dispersion in the vertical plane, and Wolter optics for simultaneous 1D imaging of the source in the horizontal plane. The soft X-ray fluorescence spectro-imaging capability will be exploited in pump-probe measurements and in investigations of propagation effects and other nonlinear phenomena.

本文介绍了安装在欧洲XFEL小型量子系统(SQS)科学仪器上的一维成像软X射线光谱仪。它使用可移动的圆柱形恒定线间距光栅(Rowland配置)进行垂直面的能量分散,并使用沃尔特(Wolter)光学系统同时对水平面的光源进行一维成像。软 X 射线荧光光谱成像功能将用于泵探测量以及传播效应和其他非线性现象的研究。
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引用次数: 0
TEMPUS, a Timepix4-based system for the event-based detection of X-rays. TEMPUS 是一个基于 Timepix4 的系统,用于对 X 射线进行基于事件的检测。
IF 2.5 3区 物理与天体物理 Pub Date : 2024-09-01 Epub Date: 2024-07-23 DOI: 10.1107/S1600577524005319
Jonathan Correa, Alexandr Ignatenko, David Pennicard, Sabine Lange, Sergei Fridman, Sebastian Karl, Leon Lohse, Björn Senfftleben, Ilya Sergeev, Sven Velten, Deepak Prajapat, Lars Bocklage, Hubertus Bromberger, Andrey Samartsev, Aleksandr Chumakov, Rudolf Rüffer, Joachim von Zanthier, Ralf Röhlsberger, Heinz Graafsma

TEMPUS is a new detector system being developed for photon science. It is based on the Timepix4 chip and, thus, it can be operated in two distinct modes: a photon-counting mode, which allows for conventional full-frame readout at rates up to 40 kfps; and an event-driven time-stamping mode, which allows excellent time resolution in the nanosecond regime in measurements with moderate X-ray flux. In this paper, the initial prototype, a single-chip device, is introduced, and the readout system described. Moreover, and in order to evaluate its capabilities, some tests were performed at PETRA III and ESRF for which results are also presented.

TEMPUS 是一种为光子科学开发的新型探测器系统。它以 Timepix4 芯片为基础,因此可以在两种不同的模式下运行:光子计数模式,允许以高达 40 kfps 的速率进行传统的全帧读出;事件驱动时间标记模式,允许在中等 X 射线通量的测量中实现纳秒级的出色时间分辨率。本文介绍了最初的原型(单芯片设备)和读出系统。此外,为了评估其能力,还在 PETRA III 和 ESRF 进行了一些测试,并介绍了测试结果。
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引用次数: 0
VUV absorption spectra of water and nitrous oxide by a double-duty differentially pumped gas filter. 通过双作用差泵气体过滤器获得水和一氧化二氮的紫外吸收光谱。
IF 2.5 3区 物理与天体物理 Pub Date : 2024-09-01 Epub Date: 2024-07-23 DOI: 10.1107/S1600577524005423
Andras Bodi, Jonas Knurr, Patrick Ascher, Patrick Hemberger, Christoph Bostedt, Andre Al Haddad

The differentially pumped rare-gas filter at the end of the VUV beamline of the Swiss Light Source has been adapted to house a windowless absorption cell for gases. Absorption spectra can be recorded from 7 eV to up to 21 eV photon energies routinely, as shown by a new water and nitrous oxide absorption spectrum. By and large, the spectra agree with previously published ones both in terms of resonance energies and absorption cross sections, but that of N2O exhibits a small shift in the {tilde{bf D}} band and tentative fine structures that have not yet been fully described. This setup will facilitate the measurement of absorption spectra in the VUV above the absorption edge of LiF and MgF2 windows. It will also allow us to carry out condensed-phase measurements on thin liquid sheets and solid films. Further development options are discussed, including the recording of temperature-dependent absorption spectra, a stationary gas cell for calibration measurements, and the improvement of the photon energy resolution.

瑞士光源紫外线光束线末端的差分泵浦稀有气体过滤器已被改装成一个无窗气体吸收池。正如新的水和氧化亚氮吸收光谱所示,吸收光谱可以从 7 eV 到 21 eV 的光子能量范围内进行常规记录。大体上,这些光谱在共振能量和吸收截面方面都与之前公布的光谱一致,但一氧化二氮的光谱在{tilde{bf D}}带和暂定精细结构方面有小的偏移,而这些精细结构尚未得到充分描述。这一装置将有助于测量锂箔和镁箔窗吸收边以上的紫外吸收光谱。它还将使我们能够对液体薄片和固体薄膜进行凝聚相测量。我们还讨论了进一步的开发方案,包括记录随温度变化的吸收光谱、用于校准测量的固定气室以及提高光子能量分辨率。
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引用次数: 0
Development of a flat jet delivery system for soft X-ray spectroscopy at MAX IV. 开发用于 MAX IV 软 X 射线光谱分析的平面射流传输系统。
IF 2.5 3区 物理与天体物理 Pub Date : 2024-09-01 Epub Date: 2024-08-22 DOI: 10.1107/S1600577524006611
Tamires Gallo, Luigi Adriano, Michael Heymann, Agnieszka Wrona, Noelle Walsh, Gunnar Öhrwall, Flavia Callefo, Slawomir Skruszewicz, Mahesh Namboodiri, Ricardo Marinho, Joachim Schulz, Joana Valerio

One of the most challenging aspects of X-ray research is the delivery of liquid sample flows into the soft X-ray beam. Currently, cylindrical microjets are the most commonly used sample injection systems for soft X-ray liquid spectroscopy. However, they suffer from several drawbacks, such as complicated geometry due to their curved surface. In this study, we propose a novel 3D-printed nozzle design by introducing microscopic flat sheet jets that provide micrometre-thick liquid sheets with high stability, intending to make this technology more widely available to users. Our research is a collaboration between the EuXFEL and MAX IV research facilities. This collaboration aims to develop and refine a 3D-printed flat sheet nozzle design and a versatile jetting platform that is compatible with multiple endstations and measurement techniques. Our flat sheet jet platform improves the stability of the jet and increases its surface area, enabling more precise scanning and differential measurements in X-ray absorption, scattering, and imaging applications. Here, we demonstrate the performance of this new arrangement for a flat sheet jet setup with X-ray photoelectron spectroscopy, photoelectron angular distribution, and soft X-ray absorption spectroscopy experiments performed at the photoemission endstation of the FlexPES beamline at MAX IV Laboratory in Lund, Sweden.

X 射线研究中最具挑战性的方面之一是将液体样品流输送到软 X 射线束中。目前,圆柱形微射流是软 X 射线液体光谱学最常用的样品注入系统。然而,圆柱形微射流存在一些缺点,例如由于表面弯曲,几何形状复杂。在本研究中,我们提出了一种新颖的三维打印喷嘴设计,引入了可提供微米厚液片且稳定性高的微型平板喷嘴,旨在使这项技术更广泛地为用户所用。我们的研究是 EuXFEL 和 MAX IV 研究设施之间的一项合作。这项合作旨在开发和完善三维打印的平板喷嘴设计和多功能喷射平台,该平台与多个终端站和测量技术兼容。我们的平板喷射平台提高了喷射的稳定性并增加了其表面积,从而能够在 X 射线吸收、散射和成像应用中进行更精确的扫描和差分测量。在这里,我们通过在瑞典隆德 MAX IV 实验室 FlexPES 光束线的光发射端站进行的 X 射线光电子能谱、光电子角分布和软 X 射线吸收光谱实验,展示了这种新布置的平板射流装置的性能。
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引用次数: 0
A versatile sample-delivery system for X-ray photoelectron spectroscopy of in-flight aerosols and free nanoparticles at MAX IV Laboratory. MAX IV 实验室用于飞行气溶胶和游离纳米粒子 X 射线光电子能谱分析的多功能样品输送系统。
IF 2.5 3区 物理与天体物理 Pub Date : 2024-09-01 Epub Date: 2024-08-07 DOI: 10.1107/S1600577524005411
C Preger, J Rissler, A Kivimäki, A C Eriksson, N Walsh

Aerosol science is of utmost importance for both climate and public health research, and in recent years X-ray techniques have proven effective tools for aerosol-particle characterization. To date, such methods have often involved the study of particles collected onto a substrate, but a high photon flux may cause radiation damage to such deposited particles and volatile components can potentially react with the surrounding environment after sampling. These and many other factors make studies on collected aerosol particles challenging. Therefore, a new aerosol sample-delivery system dedicated to X-ray photoelectron spectroscopy studies of aerosol particles and gas molecules in-flight has been developed at the MAX IV Laboratory. The aerosol particles are brought from atmospheric pressure to vacuum in a continuous flow, ensuring that the sample is constantly renewed, thus avoiding radiation damage, and allowing measurements on the true unsupported aerosol. At the same time, available gas molecules can be used for energy calibration and to study gas-particle partitioning. The design features of the aerosol sample-delivery system and important information on the operation procedures are described in detail here. Furthermore, to demonstrate the experimental range of the aerosol sample-delivery system, results from aerosol particles of different shape, size and composition are presented, including inorganic atmospheric aerosols, secondary organic aerosols and engineered nanoparticles.

气溶胶科学对气候和公共卫生研究都至关重要,近年来,X 射线技术已被证明是气溶胶粒子特征描述的有效工具。迄今为止,此类方法通常涉及对收集到基底上的颗粒进行研究,但高光子通量可能会对此类沉积颗粒造成辐射损伤,而且取样后挥发性成分可能会与周围环境发生反应。这些因素以及其他许多因素使得对收集到的气溶胶粒子进行研究具有挑战性。因此,MAX IV 实验室开发了一种新的气溶胶样品输送系统,专门用于对飞行中的气溶胶颗粒和气体分子进行 X 射线光电子能谱研究。气溶胶粒子以连续流动的方式从大气压带到真空中,确保样品不断更新,从而避免辐射损伤,并可对真正的无支撑气溶胶进行测量。同时,可用的气体分子可用于能量校准和研究气体-粒子分区。本文详细介绍了气溶胶样品输送系统的设计特点和操作程序的重要信息。此外,为了展示气溶胶样本输送系统的实验范围,还介绍了不同形状、大小和成分的气溶胶粒子的实验结果,包括无机大气气溶胶、二次有机气溶胶和工程纳米粒子。
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引用次数: 0
Development and commissioning of a broadband online X-ray spectrometer for the SXFEL Facility. 为 SXFEL 设施开发和调试宽带在线 X 射线光谱仪。
IF 2.5 3区 物理与天体物理 Pub Date : 2024-09-01 Epub Date: 2024-07-29 DOI: 10.1107/S1600577524005812
Zhicheng Yang, Ximing Zhang, Heping Geng, Jiahua Chen, Chao Feng, Bo Liu, Bin Li

A broadband online X-ray spectrometer has been designed and commissioned at the SUD beamline of the Shanghai Soft X-ray Free-Electron Laser Facility, which can deliver both SASE and seeded FEL pulses to user experiments, spanning the photon energy range of 50-620 eV. The resolving powers of the spectrometer calibrated via online measurement at 92 eV and 249 eV are ∼20000 and ∼15000, respectively, and the absolute photon energy is characterized by an electron time-of-flight spectrometer. The high energy resolution provided by the spectrometer can differentiate the fine structure in the FEL spectrum, to determine its pulse length.

上海软X射线自由电子激光装置的SUD光束线设计并调试了一台宽带在线X射线光谱仪,可为用户实验提供SASE和种子FEL脉冲,光子能量范围为50-620 eV。通过在 92 eV 和 249 eV 在线测量校准,光谱仪的分辨力分别为 ∼20000 和 ∼15000,绝对光子能量由电子飞行时间光谱仪表征。光谱仪提供的高能量分辨率可以分辨出 FEL 光谱中的细微结构,从而确定其脉冲长度。
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引用次数: 0
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Journal of Synchrotron Radiation
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