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The article discusses the contributions of John Hopfield and Geoffrey Hinton to artificial neural networks, leading to advancements in artificial intelligence technology. It also recognizes the late Mr. Guangzhao in Chinese science and Prof. Rohini Godbole in Indian collider physics, emphasizing gender equity in STEM. The Division of Plasma Physics (DPP) activities, including conferences and awards, are outlined, with the 2023 AAPPS-DPP conference awarding young researchers in plasma physics. The RMPP journal dedicated to plasma physics has been growing steadily since 2017, and the 2024 AAPPS-APCTP C. N. Yang Awards honored three young scholars for their physics contributions. The text also highlights achievements of physicists worldwide and initiatives by physics societies. [Extracted from the article]

Alanine racemase (Alr) catalyzes the pyridoxal 5′-phosphate (PLP)-dependent racemization between l- and d-alanine in bacteria. Owing to the potential interest in targeting Alr for antibacterial drug development, several studies have determined the structures of Alr from different species, proposing models for the reaction mechanism. Insights into its reaction dynamics may be conducive to a better understanding of the Alr reaction mechanism. In this study, we determined the structures of the apo and reaction states of Bacillus subtilis Alr (BsAlr) at room temperature using a fixed-target based X-ray free-electron laser. The 2.3 Å resolution structures revealed the alanine substrate or intermediate in various positions at the active site. Conformational change between the N- and C-terminal domains of BsAlr expanded the entryway for substrate binding. In the reaction state of BsAlr, two main alanine binding states were observed: one alanine molecule is positioned away from PLP, whereas the other alanine molecule is covalently bonded to PLP. These structures might represent the dynamic states of the substrate for entrance into, reaction with, or exit from the active site. Our approach provides a simple and rapid method for elucidating the intermediate structure of Alr, which can be expanded to other enzymes. [ABSTRACT FROM AUTHOR]

By employing the stabilizer in the supersonic gas nozzle to produce the plasma density profile with a sharp downramp, we have experimentally demonstrated highly stable electron beam acceleration based on the shock injection mechanism in laser wakefield acceleration with the use of a compact Ti:sapphire laser. A quasi-monoenergetic electron beam with a peak energy of 315 MeV ± 12.5 MeV per shot is generated. The electron pointing fluctuations are less than 1 mrad, which is a significant improvement over previous results. This is due to the precise control of the target density distribution and the relative distance between the shock and the laser focal position. The Particle-in-cell simulations demonstrate the sensitivity of electron acceleration to the target profile, while the computational fluid dynamics prove the stabilizer's effect on gas formation. Further developments of this scheme have the potential to deliver a high repetition rate gas target. The corresponding reproducibility of the accelerated electron beam paves the way for the realisation of compact laser plasma accelerators and the potential application of free electron lasers. [ABSTRACT FROM AUTHOR]

The editorial in "Frontiers in Physics" discusses the challenges and advancements in developing detectors for photon science, focusing on X-ray imaging detectors and sensors. The text highlights the need for detectors to meet the performance increase of new photon sources like Free Electron Lasers and Diffraction-Limited Storage Rings. It also addresses the challenges of data reduction and processing, as well as operational complexities in running imaging systems at photon science facilities. The editorial emphasizes the importance of simplifying system integration and calibration to enhance user interest and data quality in imaging detectors for photon science. [Extracted from the article]

A reliable characterization of x-ray pulses is critical to optimally exploit advanced photon sources, such as free-electron lasers. In this paper, we present a method based on machine learning, the virtual spectrometer, that improves the resolution of non-invasive spectral diagnostics at the European XFEL by up to 40%, and significantly increases its signal-to-noise ratio. This improves the reliability of quasi-real-time monitoring, which is critical to steer the experiment, as well as the interpretation of experimental outcomes. Furthermore, the virtual spectrometer streamlines and automates the calibration of the spectral diagnostic device, which is otherwise a complex and time-consuming task, by virtue of its underlying detection principles. Additionally, the provision of robust quality metrics and uncertainties enable a transparent and reliable validation of the tool during its operation. A complete characterization of the virtual spectrometer under a diverse set of experimental and simulated conditions is provided in the manuscript, detailing advantages and limits, as well as its robustness with respect to the different test cases. A reliable characterization of x-ray pulses is critical to optimally exploit advanced photon sources, such as free-electron lasers. The authors present a method based on machine learning which improves the resolution and signal-to-noise ratio of the non-invasive spectral diagnostics available at European XFEL, and streamlines its operation. [ABSTRACT FROM AUTHOR]

The primary and secondary fragmentation dynamics of iodobenzene following its ionization at 120 eV were determined using three-dimensional velocity map imaging and covariance analysis. Site-selective iodine 4d ionization was used to populate a range of excited polycationic parent states, which primarily broke apart at the carbon-iodine bond to produce I+ with phenyl or phenyl-like cations (C n H x + or C n H x 2 + , with n = 1 – 6 and x = 1 – 5). The molecular products were produced with varying degrees of internal excitation and dehydrogenation, leading to stable and unstable outcomes. This further allowed the secondary dynamics of C 6 H x 2 + intermediates to be distinguished using native-frame covariance analysis, which isolated these processes in their own centre-of-mass reference frames. The mass resolution of the imaging mass spectrometer used for these measurements enabled the primary and secondary reaction channels to be specified at the level of individual hydrogen atoms, demonstrating the ability of covariance analysis to comprehensively measure the competing fragmentation channels of aryl cations, including those involving intermediate steps. [ABSTRACT FROM AUTHOR]

We study the resonant processes of the excitation of weakly bound NeAr + ions in collisions with the free electrons of Ne/Ar mixture plasma under conditions typical of the active media of gas lasers and plasma-based UV radiation sources. The transitions leading to the population of charge transfer electronic terms are considered. Using an original theoretical approach developed recently, we study the dependences of the cross-sections of several competing resonant processes on the incident electron energy and the gas temperature of the plasma. The role of the continuous states of internuclear motion is discussed. We highlight the specific features of the processes considered that stem from the low binding energy of NeAr + ions and demonstrate that, in the weakly bound systems, the efficiencies of different charge transfer excitation channels differ greatly from those obtained for ions with moderate dissociation energies. [ABSTRACT FROM AUTHOR]

Short-lived core-ionized neon atoms were investigated by measuring under resonant Raman conditions the Auger decay following the excitation of a second core electron into a Rydberg state. Making use of intense and narrow bandwidth x-ray free-electron laser pulses, the photoexcitation spectrum of the femtosecond-lived Ne + 1 s 0 2 s 2 2 p 6 n p series was characterized. Energy position and lifetimes of the lower-lying Rydberg states were determined and the final state configurations following the decay of the Ne + 1 s 0 2 s 2 2 p 6 3 p double-core hole resonance were partially resolved. [ABSTRACT FROM AUTHOR]

Time-resolved serial crystallography at X-ray Free Electron Lasers offers the opportunity to observe ultrafast photochemical reactions at the atomic level. The technique has yielded exciting molecular insights into various biological processes including light sensing and photochemical energy conversion. However, to achieve sufficient levels of activation within an optically dense crystal, high laser power densities are often used, which has led to an ongoing debate to which extent photodamage may compromise interpretation of the results. Here we compare time-resolved serial crystallographic data of the bacteriorhodopsin K-intermediate collected at laser power densities ranging from 0.04 to 2493 GW/cm2 and follow energy dissipation of the absorbed photons logarithmically from picoseconds to milliseconds. Although the effects of high laser power densities on the overall structure are small, in the upper excitation range we observe significant changes in retinal conformation and increased heating of the functionally critical counterion cluster. We compare light-activation within crystals to that in solution and discuss the impact of the observed changes on bacteriorhodopsin biology. Time-resolved serial crystallography at XFELs reveals ultrafast photochemical reactions, but high laser densities can cause photodamage to biological samples. Here, the authors study the early K-intermediate in bacteriorhodopsin at high power, showing overall conformation remains robust over a wide range. [ABSTRACT FROM AUTHOR]

Angle-resolved photoelectron spectrometers with microchannel plate detectors and fast digitizer electronics are versatile and powerful devices for providing non-invasive single-shot photon diagnostics at a MHz repetition rate X-ray free-electron lasers. In this contribution, we demonstrate and characterize the performance of our two operational photoelectron spectrometers for the application of hard X-rays and soft X-rays as well as new automation tools and online data analysis that enable continuous support for machine operators and instrument scientists. Customized software has been developed for the real-time monitoring of photon beam polarization and spectral distribution both in single-color and two-color operation. Hard X-ray operation imposes specific design challenges due to poor photoionization cross-sections and very high photoelectron velocities. Furthermore, recent advancements in machine learning enable resolution enhancement by training the photoelectron spectrometer together with an invasive high-resolution spectrometer, which generates a response function model. [ABSTRACT FROM AUTHOR]

Time-resolved x-ray crystallography (TR-X) at synchrotrons and free electron lasers is a promising technique for recording dynamics of molecules at atomic resolution. While experimental methods for TR-X have proliferated and matured, data analysis is often difficult. Extracting small, time-dependent changes in signal is frequently a bottleneck for practitioners. Recent work demonstrated this challenge can be addressed when merging redundant observations by a statistical technique known as variational inference (VI). However, the variational approach to time-resolved data analysis requires identification of successful hyperparameters in order to optimally extract signal. In this case study, we present a successful application of VI to time-resolved changes in an enzyme, DJ-1, upon mixing with a substrate molecule, methylglyoxal. We present a strategy to extract high signal-to-noise changes in electron density from these data. Furthermore, we conduct an ablation study, in which we systematically remove one hyperparameter at a time to demonstrate the impact of each hyperparameter choice on the success of our model. We expect this case study will serve as a practical example for how others may deploy VI in order to analyze their time-resolved diffraction data. [ABSTRACT FROM AUTHOR]

This study delves into the relatively uncharted territory of Above Threshold Ionization in atoms, triggered by intense X-ray radiation fields. At these frequencies, the energy of a single photon far exceeds the ionization potential of valence electrons in atoms and molecules. The conditions we examine are similar to those achievable with current or future free-electron laser facilities. Under such high-energy scenarios, the onset of strong field ionization requires a shift away from the traditional quasi-classical approach. Here, we present an analytical model to characterize how the field-free ionization potential, ponderomotive energy, and photon energy govern the transition to this regime, all accounted for by means of the Keldysh and Reiss parameters. We show that both of these parameters are needed to capture the onset of strong-field behavior due to both bound state and continuum state properties. At higher X-ray intensities, we find that ionization rates deviate from the linear intensity scaling expected from lowest order perturbative processes, corresponding to channel closure and higher-order photon absorption processes. This study explores Above Threshold Ionization in atoms induced by intense X-ray radiation fields, where photon energy surpasses the ionization potential of valence electrons. The authors demonstrate that both the Keldysh and Reiss parameters are essential to capture the onset of strong-field behavior, revealing deviations from weak-field intensity scaling at higher X-ray intensities. [ABSTRACT FROM AUTHOR]

The ultrashort and intense pulses of X-rays produced at X-ray free electron lasers (XFELs) have enabled unique experiments on the atomic level structure and dynamics of matter, with time-resolved studies permitted in the femto- and attosecond regimes. To fully exploit them, it is paramount to obtain a comprehensive understanding of the complex nonlinear interactions that can occur at such extreme X-ray intensities. Herein, we report on the experimental observation of a resonant double-core excitation scheme in N2, where two 1σ core-level electrons are resonantly promoted to unoccupied 1 π g * molecular orbitals by a single few-femtosecond broad-bandwidth XFEL pulse. The production of these neutral two-site double core hole states is evidenced through their characteristic decay channels, which are observed in good agreement with high-level theoretical calculations. Such multi-core excitation schemes, benefiting from the high interaction cross sections and state- and site-selective nature of resonant X-ray interactions, should be generally accessible in XFEL irradiated molecules, and provide interesting opportunities for chemical analysis and for monitoring ultrafast dynamic processes. XFELs can drive multicore-ionization/excitation processes in the fs timescale of typical core-hole lifetimes in molecules. This paper reports experimental evidence of a single XFEL-pulse-driven resonant double-core excitation mechanism, producing a neutral two-site double-core-hole state in the nitrogen molecule. [ABSTRACT FROM AUTHOR]

In this perspective article we propose and discuss a possible technique of in-depth material processing based on undersurface focusing of intense x-ray pulses. Currently, x-ray free-electron lasers can produce such intense x-ray pulses with femtosecond pulse durations, reaching intensities sufficiently high to cause ultrafast melting of a material after a single laser shot. Here, on the example of silicon crystal we will demonstrate that with a proper choice of pulse parameters and focusing parameters, the already existing nanofocusing setup has a capability to focus hard x rays down to several hundreds micrometers below the material surface. This can trigger the required structural modification in the focal point, without damaging the material above. Potential applications of the new technique are discussed. [ABSTRACT FROM AUTHOR]

H2O transforms to two forms of superionic (SI) ice at high pressures and temperatures, which contain highly mobile protons within a solid oxygen sublattice. Yet the stability field of both phases remains debated. Here, we present the results of an ultrafast X-ray heating study utilizing MHz pulse trains produced by the European X-ray Free Electron Laser to create high temperature states of H2O, which were probed using X-ray diffraction during dynamic cooling. We confirm an isostructural transition during heating in the 26-69 GPa range, consistent with the formation of SI-bcc. In contrast to prior work, SI-fcc was observed exclusively above ~50 GPa, despite evidence of melting at lower pressures. The absence of SI-fcc in lower pressure runs is attributed to short heating timescales and the pressure-temperature path induced by the pump-probe heating scheme in which H2O was heated above its melting temperature before the observation of quenched crystalline states, based on the earlier theoretical prediction that SI-bcc nucleates more readily from the fluid than SI-fcc. Our results may have implications for the stability of SI phases in ice-rich planets, for example during dynamic freezing, where the preferential crystallization of SI-bcc may result in distinct physical properties across mantle ice layers. The authors perform heating experiments using femtosecond X-ray free electron laser pulses to explore the phase stability of superionic H2O. The absence of a face-centered cubic phase below 50 GPa, where superionic ice forms from the melt, is attributed to the short heating time and may help understanding the stability of superionic phases in ice-rich planets. [ABSTRACT FROM AUTHOR]

Equation of state measurements at Jovian or stellar conditions are currently conducted by dynamic shock compression driven by multi-kilojoule multi-beam nanosecond-duration lasers. These experiments require precise design of the target and specific tailoring of the spatial and temporal laser profiles to reach the highest pressures. At the same time, the studies are limited by the low repetition rate of the lasers. Here, we show that by the irradiation of a thin wire with single-beam Joule-class short-pulse laser, a converging cylindrical shock is generated compressing the wire material to conditions relevant to the above applications. The shockwave was observed using Phase Contrast Imaging employing a hard X-ray Free Electron Laser with unprecedented temporal and spatial sensitivity. The data collected for Cu wires is in agreement with hydrodynamic simulations of an ablative shock launched by highly impulsive and transient resistive heating of the wire surface. The subsequent cylindrical shockwave travels toward the wire axis and is predicted to reach a compression factor of 9 and pressures above 800 Mbar. Simulations for astrophysical relevant materials underline the potential of this compression technique as a new tool for high energy density studies at high repetition rates. Hard X-ray free electron lasers allow new insights into dense matter dynamics. Here, the authors show that a single-beam, short-pulse laser can generate a converging cylindrical shock in a thin wire, providing a new method for high energy density research with improved repetition rates. [ABSTRACT FROM AUTHOR]

The advent of free electron lasers has opened the opportunity to explore interactions between extreme ultraviolet (EUV) photons and collective excitations in solids. While EUV transient grating spectroscopy, a noncollinear four-wave mixing technique, has already been applied to probe coherent phonons, the potential of EUV radiation for studying nanoscale spin waves has not been harnessed. Here we report EUV transient grating experiments with coherent magnons in Fe/Gd ferrimagnetic multilayers. Magnons with tens of nanometers wavelengths are excited by a pair of femtosecond EUV pulses and detected via diffraction of a probe pulse tuned to an absorption edge of Gd. The results unlock the potential of nonlinear EUV spectroscopy for studying magnons and provide a tool for exploring spin waves in a wave vector range not accessible by established inelastic scattering techniques. [ABSTRACT FROM AUTHOR]

X-rays have been observed in natural downward cloud-to-ground lightning for over 20 years and in rocket-triggered lightning for slightly less. In both cases, this energetic radiation has been detected during the stepped and dart leader phases of downward negative flashes. More recently, X-rays have also been reported during the dart leader phase of upward negative flashes. In this study, we present the observations of four upward positive lightning flashes from the Säntis Tower (2.5 km ASL) in Switzerland. These consist of the simultaneous records of electric current passing through the tower, and electric field strength and X-ray flux 20 m from the tower base. One of the flashes was captured by a high-speed camera operating at 24,000 frames per second, stills from which are also presented. We detected X-rays during the initial phase of upward negative leader propagation, which can be associated with the leader-stepping process from electric field and current waveforms. To the best of our knowledge, this is the first time that such measurements are reported in the literature. The obtained time-synchronised data confirm that the X-ray emissions detected are associated with the initial steps of the upward negative leader. The frequency and energy of X-ray pulses appear to decrease as functions of time, with pulses disappearing altogether within the first millisecond of the leader initiation. X-ray emission also appears to be correlated with the maximum current-derivative and the electric field change of leader steps, consistent with cold electron runaway. These observations contribute to improving our understanding of upward lightning, which is a primary source of damage to tall structures such as wind turbines and telecommunications towers, as well as aircraft during takeoff and landing. [ABSTRACT FROM AUTHOR]

There are numerous instabilities present in charged particle beams that undergo exponential growth and reach saturation. In various applications, such as free-electron lasers or micro-bunching light sources, achieving saturation is desirable. Conversely, there are applications where these instabilities are utilized as linear broad-band amplifiers for signals embedded in the charged beam. In the latter scenario, the saturation of an instability induces non-linear distortions in the imprinted signal, thereby limiting the useful range of such amplifiers. Accurate evaluation of these instabilities necessitates a complete and comprehensive modeling approach that includes shot noise within the beam. Unfortunately, such modeling is not always feasible or practical. In this paper, we introduce a methodology utilizing the frequency and bandwidth of the instability as key parameters. Through this, we derive an estimation for the range of linear instability growth. Our derivation is conducted in a model-independent manner, making it applicable to a broad spectrum of instabilities. To validate our approach, we employ established and thoroughly benchmarked simulations with a free electron laser (FEL) code as well as self-consistent 3-dimensional simulation of plasma-cascade instability using code SPACE. [ABSTRACT FROM AUTHOR]

The EuPRAXIA EU project is at the forefront of advancing particle accelerator research and the development of photon sources through innovative plasma acceleration approaches. Within this framework, the EuAPS project aims to exploit laser wakefield acceleration to build and operate a betatron radiation source at the INFN Frascati National Laboratory. The EuAPS source will provide femtosecond X-ray pulses in the spectral region between about 1 and 10 keV, unlocking a realm of experimental ultrafast methodologies encompassing diverse imaging and X-ray spectroscopy techniques. This paper presents a description of the EuAPS betatron source, including simulations of the photon beam parameters, outlines the preliminary design of the dedicated photon beamline, and provides an insightful overview of its photon science applications. [ABSTRACT FROM AUTHOR]

In this paper, promising but simple schemes are investigated to enhance the micro-bunching of relativistic electron beams for coherent harmonic generation (CHG) by using phase merging effects. In contrast to the standard CHG scheme, two specially designed dispersion sections (DSs) are adopted with the DS-modulator–DS configuration. The phase space of the e beam is appropriately coupled in the first DS, and the electrons within one seed wavelength can merge to the same phase with a matched second DS. Micro-bunching of the e beam can thus be enhanced by a large margin with much higher-harmonic components. Taking e beams from laser wakefield accelerators (LWFAs) as an example, start-to-end simulations are performed to show the effectiveness and robustness of the proposed schemes with several configurations. The beam current can be optimized to several tens to hundreds of kiloamperes, and the radiation power reaches hundreds of megawatts in the extreme ultraviolet regime within a 3.5 m-long beamline. The proposed schemes offer new opportunities for future compact free-electron lasers driven by LWFAs and provides prospects for truly compact and widely applicable systems. [ABSTRACT FROM AUTHOR]

Serial femtosecond crystallography (SFX) with X-ray free-electron lasers (XFELs) has revolutionized classical X-ray diffraction experiments by utilizing ultra-short, intense, and coherent X-ray pulses. However, the SFX approach still requires thousands of nearly identical samples, leading to significant protein consumption. We propose utilizing Langmuir–Blodgett protein multilayers, which are characterized by long-range order, thermal stability, and the ability to induce protein crystallization, even in proteins that cannot be crystallized by conventional methods. This study aimed to combine the intrinsic properties of Langmuir–Blodgett multilayers with advanced XFEL techniques at the Linac Coherent Light Source. Since the macromolecule organization can be explored in nano or 2D crystals exploiting the properties of SFX–XFEL radiation that enable the capture of high-resolution diffraction images before radiation damage occurs, we propose Langmuir–Blodgett protein nanofilm technology as a novel approach for direct "on-chip" protein sample preparation. The present study extends previous investigations into Langmuir–Blodgett phycocyanin multilayer nanofilms using synchrotron radiation cryo-EM microscopy and second-order nonlinear imaging of chiral crystal (SONICC) experiments. We also examined the thermal stability of phycocyanin Langmuir–Blodgett multilayered films deposited on Si3N4 membranes to evaluate structural changes occurring at 150 °C compared with room temperature. Phycocyanin Langmuir–Blodgett films are worthy of investigation in view of their suitability for tissue engineering and other applications due to their thermal integrity and stability as the results of the present investigation reveal. [ABSTRACT FROM AUTHOR]

In the warm dense matter (WDM) regime, where condensed, gas, and plasma phases coexist, matter frequently exhibits unusual properties that cannot be described by contemporary theory. Experiments reporting phenomena in WDM are therefore of interest to advance our physical understanding of this regime, which is found in dwarf stars, giant planets, and fusion ignition experiments. Using 7.1 keV X-ray free electron laser radiation (nominally 5×105 J/cm2), we produced and probed transient WDM in liquid water. Wide-angle X-ray scattering (WAXS) from the probe reveals a new ~9 Å structure that forms within 75 fs. By 100 fs, the WAXS peak corresponding to this new structure is of comparable magnitude to the ambient water peak, which is attenuated. Simulations suggest that the experiment probes a superposition of two regimes. In the first, fluences expected at the focus severely ionize the water, which becomes effectively transparent to the probe. In the second, out-of-focus pump radiation produces O1+ and O2+ ions, which rearrange due to Coulombic repulsion over 10 s of fs. Our simulations account for a decrease in ambient water signal and an increase in low-angle X-ray scattering but not the experimentally observed 9 Å feature, presenting a new challenge for theory. The ionization via high-intensity X-ray irradiation can cause structural rearrangements within the sample. The authors observe a new structure in ionized liquid water emerging within few femtoseconds from the initial ionization, characterized via a peculiar partial order on a length scale much longer than normally found in water. [ABSTRACT FROM AUTHOR]

Advanced accelerator-based light sources such as free electron lasers (FEL) accelerate highly relativistic electron beams to generate incredibly short (10s of femtoseconds) coherent flashes of light for dynamic imaging, whose brightness exceeds that of traditional synchrotron-based light sources by orders of magnitude. FEL operation requires precise control of the shape and energy of the extremely short electron bunches whose characteristics directly translate into the properties of the produced light. Control of short intense beams is difficult due to beam characteristics drifting with time and complex collective effects such as space charge and coherent synchrotron radiation. Detailed diagnostics of beam properties are therefore essential for precise beam control. Such measurements typically rely on a destructive approach based on a combination of a transverse deflecting resonant cavity followed by a dipole magnet in order to measure a beam's 2D time vs energy longitudinal phase-space distribution. In this paper, we develop a non-invasive virtual diagnostic of an electron beam's longitudinal phase space at megapixel resolution (1024 × 1024) based on a generative conditional diffusion model. We demonstrate the model's generative ability on experimental data from the European X-ray FEL. [ABSTRACT FROM AUTHOR]

Resonant inelastic x-ray scattering (RIXS) is a widely used spectroscopic technique, providing access to the electronic structure and dynamics of atoms, molecules, and solids. However, RIXS requires a narrow bandwidth x-ray probe to achieve high spectral resolution. The challenges in delivering an energetic monochromated beam from an x-ray free electron laser (XFEL) thus limit its use in few-shot experiments, including for the study of high energy density systems. Here we demonstrate that by correlating the measurements of the self-amplified spontaneous emission (SASE) spectrum of an XFEL with the RIXS signal, using a dynamic kernel deconvolution with a neural surrogate, we can achieve electronic structure resolutions substantially higher than those normally afforded by the bandwidth of the incoming x-ray beam. We further show how this technique allows us to discriminate between the valence structures of Fe and Fe2O3, and provides access to temperature measurements as well as M-shell binding energies estimates in warm-dense Fe compounds. The authors combine differentiable physics modelling and neural networks to extract high-resolution electronic density of states of warm dense materials from resonant inelastic x-ray scattering spectra. With this approach, they identify distinctive features in the valence structures of warm dense Fe and Fe2O3, also estimating their temperature and M-shell binding energies. [ABSTRACT FROM AUTHOR]

This article discusses the use of ablative fractional carbon dioxide (CO2) laser treatment for the improvement of acne vulgaris. Acne vulgaris is a common skin condition that can lead to scarring and psychological distress. The current standard of care involves oral antibiotics or isotretinoin, but there is a need for alternative therapies due to antibiotic resistance and side effects. The study evaluated the efficacy of low-energy, low-density fractional CO2 laser treatment for active inflammatory acne vulgaris. The results showed a significant reduction in lesion count and improvement in acne severity with minimal side effects. However, further research is needed to confirm these findings and explore the treatment's association with other acne treatments. [Extracted from the article]

Photocathode laser pulse shaping is a crucial technology for enhancing the performance of X-ray free-electron lasers by optimizing the quality of electron beams generated from photocathodes within high-gradient radio frequency guns. By precisely shaping these laser pulses, it is possible to significantly reduce the transverse emittance of produced electron bunches. The optimal pulse shape is an ellipsoidal distribution, commonly referred to as the Kapchinskij–Vladimirskij profile. A pulse-shaping scheme utilizing a commercial Yb:KGW laser operating at 514 nm with a repetition rate of 1 MHz and duration of 260 fs has been developed for generating electron bunches with high peak and average power. This study presents the experimental realization of ellipsoidal pulses via three-dimensional amplitude shaping using spatial light modulators at 514 nm, followed by conversion to UV (257 nm) suitable for Cs   2 Te photocathodes. The preservation of pulse shape and a high conversion efficiency during this process are investigated and our experiments pave the way for future emittance minimization for X-ray free-electron lasers. [ABSTRACT FROM AUTHOR]

The capability to use extreme ultraviolet (EUV) light for generating transient gratings (TGs) has enabled the study of thermoelastic and magnetic dynamics at the nanoscale, in thin solid samples and surfaces, without the need of specially modifying them. However, the current mirror-based setup for generating EUV TG limits both its extension to the soft x-ray photon energy range and the attainment of few femtosecond time-resolution. Here we propose to overcome these limitations with an alternative experimental scheme based on diffractive optical elements that has become feasible with the current technology. In addition, some aspects of the discussed setup may facilitate the implementation of the EUV TG approach at table-top high-harmonic generation sources. [ABSTRACT FROM AUTHOR]

Understanding protein structure and kinetics under physiological conditions is crucial for elucidating complex biological processes. While time-resolved (TR) techniques have advanced to track molecular actions, their practical application in biological reactions is often confined to reversible photoreactions within limited experimental parameters due to inefficient sample utilization and inflexibility of experimental setups. Here, we introduce serial X-ray liquidography (SXL), a technique that combines time-resolved X-ray liquidography with a fixed target of serially arranged microchambers. SXL breaks through the previously mentioned barriers, enabling microgram-scale TR studies of both irreversible and reversible reactions of even a non-photoactive protein. We demonstrate its versatility in studying a wide range of biological reactions, highlighting its potential as a flexible and multi-dimensional assay framework for kinetic and structural characterization. Leveraging X-ray free-electron lasers and micro-focused X-ray pulses promises further enhancements in both temporal resolution and minimizing sample quantity. SXL offers unprecedented insights into the structural and kinetic landscapes of molecular actions, paving the way for a deeper understanding of complex biological processes. Here, the authors present a time-resolved method that overcomes inefficient sample use termed Serial X-ray liquidography, which enables microgram-scale analysis of diverse biological reactions yielding structural and kinetic insights. [ABSTRACT FROM AUTHOR]

Laser-driven compact particle accelerators can provide ultrashort pulses of broadband X-rays, well suited for undertaking X-ray absorption spectroscopy measurements on a femtosecond timescale. Here the Extended X-ray Absorption Fine Structure (EXAFS) features of the K-edge of a copper sample have been observed over a 250 eV window in a single shot using a laser wakefield accelerator, providing information on both the electronic and ionic structure simultaneously. This capability will allow the investigation of ultrafast processes, and in particular, probing high-energy-density matter and physics far-from-equilibrium where the sample refresh rate is slow and shot number is limited. For example, states that replicate the tremendous pressures and temperatures of planetary bodies or the conditions inside nuclear fusion reactions. Using high-power lasers to pump these samples also has the advantage of being inherently synchronised to the laser-driven X-ray probe. A perspective on the additional strengths of a laboratory-based ultrafast X-ray absorption source is presented. Laser-driven X-rays can provide ultrashort pulses of broadband light, well suited for femtosecond timescale absorption spectroscopy. Here the authors measure the extended X-ray absorption features of a copper sample using a laser wakefield accelerator, in a single shot; important for studying samples driven to extreme and non-equilibrium states. [ABSTRACT FROM AUTHOR]

This article presents a demonstration of the improved performance of an X‐ray free‐electron laser (FEL) using the optical klystron mechanism and helical undulator configuration, in comparison with the common planar undulator configuration without optical klystron. The demonstration was carried out at Athos, the soft X‐ray beamline of SwissFEL. Athos has variable‐polarization undulators, and small magnetic chicanes placed between every two undulators to fully exploit the optical klystron. It was found that, for wavelengths of 1.24 nm and 3.10 nm, the required length to achieve FEL saturation is reduced by about 35% when using both the optical klystron and helical undulators, with each effect accounting for about half of the improvement. Moreover, it is shown that a helical undulator configuration provides a 20% to 50% higher pulse energy than planar undulators. This work represents an important step towards more compact and high‐power FELs, rendering this key technology more efficient, affordable and accessible to the scientific community. [ABSTRACT FROM AUTHOR]

Deflectometric profilometers are used to precisely measure the form of beam shaping optics of synchrotrons and X‐ray free‐electron lasers. They often utilize autocollimators which measure slope by evaluating the displacement of a reticle image on a detector. Based on our privileged access to the raw image data of an autocollimator, novel strategies to reduce the systematic measurement errors by using a set of overlapping images of the reticle obtained at different positions on the detector are discussed. It is demonstrated that imaging properties such as, for example, geometrical distortions and vignetting, can be extracted from this redundant set of images without recourse to external calibration facilities. This approach is based on the fact that the properties of the reticle itself do not change – all changes in the reticle image are due to the imaging process. Firstly, by combining interpolation and correlation, it is possible to determine the shift of a reticle image relative to a reference image with minimal error propagation. Secondly, the intensity of the reticle image is analysed as a function of its position on the CCD and a vignetting correction is calculated. Thirdly, the size of the reticle image is analysed as a function of its position and an imaging distortion correction is derived. It is demonstrated that, for different measurement ranges and aperture diameters of the autocollimator, reductions in the systematic errors of up to a factor of four to five can be achieved without recourse to external measurements. [ABSTRACT FROM AUTHOR]

Understanding and controlling the structure and function of liquid interfaces is a constant challenge in biology, nanoscience and nanotechnology, with applications ranging from molecular electronics to controlled drug release. X‐ray reflectivity and grazing incidence diffraction provide invaluable probes for studying the atomic scale structure at liquid–air interfaces. The new time‐resolved laser system at the LISA liquid diffractometer situated at beamline P08 at the PETRA III synchrotron radiation source in Hamburg provides a laser pump with X‐ray probe. The femtosecond laser combined with the LISA diffractometer allows unique opportunities to investigate photo‐induced structural changes at liquid interfaces on the pico‐ and nanosecond time scales with pump–probe techniques. A time resolution of 38 ps has been achieved and verified with Bi. First experiments include laser‐induced effects on salt solutions and liquid mercury surfaces with static and varied time scales measurements showing the proof of concept for investigations at liquid surfaces. [ABSTRACT FROM AUTHOR]

A cavity‐based X‐ray free‐electron laser (CBXFEL) is a possible future direction in the development of fully coherent X‐ray sources. CBXFELs consist of a low‐emittance electron source, a magnet system with several undulators and chicanes, and an X‐ray cavity. The X‐ray cavity stores and circulates X‐ray pulses for repeated FEL interactions with electron pulses until the FEL reaches saturation. CBXFEL cavities require low‐loss wavefront‐preserving optical components: near‐100%‐reflectivity X‐ray diamond Bragg‐reflecting crystals, outcoupling devices such as thin diamond membranes or X‐ray gratings, and aberration‐free focusing elements. In the framework of the collaborative CBXFEL research and development project of Argonne National Laboratory, SLAC National Accelerator Laboratory and SPring‐8, we report here the design, manufacturing and characterization of X‐ray optical components for the CBXFEL cavity, which include high‐reflectivity diamond crystal mirrors, a diamond drumhead crystal with thin membranes, beryllium refractive lenses and channel‐cut Si monochromators. All the designed optical components have been fully characterized at the Advanced Photon Source to demonstrate their suitability for the CBXFEL cavity application. [ABSTRACT FROM AUTHOR]

With the development of serial crystallography at both x-ray free electron laser and synchrotron radiation sources, time-resolved x-ray crystallography is increasingly being applied to study conformational changes in macromolecules. A successful time-resolved serial crystallography study requires the growth of microcrystals, a mechanism for synchronized and homogeneous excitation of the reaction of interest within microcrystals, and tools for structural interpretation. Here, we utilize time-resolved serial femtosecond crystallography data collected from microcrystals of bacteriorhodopsin to compare results from partial occupancy structural refinement and refinement against extrapolated data. We illustrate the domain wherein the amplitude of refined conformational changes is inversely proportional to the activated state occupancy. We illustrate how resampling strategies allow coordinate uncertainty to be estimated and demonstrate that these two approaches to structural refinement agree within coordinate errors. We illustrate how singular value decomposition of a set of difference Fourier electron density maps calculated from resampled data can minimize phase bias in these maps, and we quantify residual densities for transient water molecules by analyzing difference Fourier and Polder omit maps from resampled data. We suggest that these tools may assist others in judging the confidence with which observed electron density differences may be interpreted as functionally important conformational changes. [ABSTRACT FROM AUTHOR]

We present in situ measurements of spectrally resolved X-ray scattering and X-ray diffraction from monocrystalline diamond samples heated with an intense pulse of heavy ions. In this way, we determine the samples' heating dynamics and their microscopic and macroscopic structural integrity over a timespan of several microseconds. Connecting the ratio of elastic to inelastic scattering with state-of-the-art density functional theory molecular dynamics simulations allows the inference of average temperatures around 1300 K, in agreement with predictions from stopping power calculations. The simultaneous diffraction measurements show no hints of any volumetric graphitization of the material, but do indicate the onset of fracture in the diamond sample. Our experiments pave the way for future studies at the Facility for Antiproton and Ion Research, where a substantially increased intensity of the heavy ion beam will be available. [ABSTRACT FROM AUTHOR]

A free-electron laser is a laser that has the same optical properties as a conventional laser, such as emitting beams of coherent electromagnetic radiation, which can reach high powers, but uses some very different principles of operation to form the beams. The chaotic motion of electrons causes a considerable decrease in the gain and efficiency of free-electron lasers. In this paper, the Hamiltonian of the dual-wiggler free-electron laser with and without axial guide magnetic field is constructed. Hamilton's equations of motion were derived exactly for both cases. The steady-state solution is also derived and investigated so that the initial conditions of the system are clear. The Poincaré surface-of-section maps were plotted after solving Hamilton's equations of motion numerically, where the chaotic behavior of the system was obvious when the axial field was included while the motion became regular and the Hamiltonian is integrable in the absence of the axial guide magnetic field. Regular orbits are observed clearly for large values of the axial field. [ABSTRACT FROM AUTHOR]

The establishment of the mid-infrared and terahertz free-electron laser (MIR/THz FEL) facility is ongoing at the PBP-CMU Electron Linac Laboratory (PCELL) in Chiang Mai University. The facility utilizes an S-band radio-frequency (RF) gun and a linear accelerator (linac) to generate and accelerate electron bunches. These electron bunches are accelerated in the RF gun and the linac using RF pulses with a frequency of 2856 MHz. Measuring the RF properties becomes essential, as the RF pulse information can be utilized to estimate the electron beam properties. To achieve the measurement results, we employed an RF measurement system comprising directional couplers, coaxial cables, attenuators, a crystal detector, and an oscilloscope. Prior to conducting measurements, the crystal detector and RF equipment were calibrated and characterized to ensure precise and reliable results. The electron beam energy estimation using the measured RF power was compared with the measured beam energies. The gun and the linac were operated with an absorbed RF power of 1.52 MW and an input power of 1.92 MW, respectively. The estimated electron beam energies were found to be 2.18 MeV and 15.0 MeV, respectively, closely aligning with the measured beam energies of 2.1 MeV and 14.0 MeV after the gun and linac acceleration. These consistent energy values support the reliability of our RF power measurement system and procedure. [ABSTRACT FROM AUTHOR]

To align with the global trend of integrating synchrotron light source (SLS) and free electron laser (FEL) facilities on one site, in line with examples such as SPring-8 and SACLA in Japan and ELETTRA and FERMI in Italy, we actively explore FEL options leveraging the ultralow-emittance electron beam of the NSLS-II upgrade. These options show promising potential for synergy with storage ring (SR) operations, thereby significantly enhancing our facility's capabilities. Echo-enabled harmonic generation (EEHG) is well-suited to SR-based FELs, and has already been demonstrated with the capability of generating extremely narrow bandwidth as well as high brightness, realized using diffraction-limited short pulses in transverse planes and Fourier transform-limited bandwidth in the soft X-ray spectrum. However, regarding a conventional EEHG scheme, the combination of the shortest seed laser wavelength (256 nm) and highest harmonic (200) sets the short wavelength limit to λ = 1.28 nm. To further extend the short wavelength limit down to the tender and hard X-ray region, a vital option is to shorten the seed laser wavelength. Thanks to recent advances in high harmonic generation (HHG), packing 109 photons at one harmonic within a few-femtosecond pulse could turn such a novel HHG source into an ideal seeding for EEHG. Thus, compared to the cascaded EEHG, the HHG seeding option could not only lower the cost, but also free the SR space for accommodating more user beamlines. Moreover, to mitigate the SASE background noise on the sample and detector, we combine the HHG seeding EEHG with the crab cavity short pulse scheme for maximum benefit. [ABSTRACT FROM AUTHOR]

Machine learning deals with creating algorithms capable of learning from the provided data. These systems have a wide range of applications and can also be a valuable tool for scientific research, which in recent years has been focused on finding new diagnostic techniques for particle accelerator beams. In this context, SPARC_LAB is a facility located at the Frascati National Laboratories of INFN, where the progress of beam diagnostics is one of the main developments of the entire project. With this in mind, we aim to present the design of two neural networks aimed at predicting the spot size of the electron beam of the plasma-based accelerator at SPARC_LAB, which powers an undulator for the generation of an X-ray free electron laser (XFEL). Data-driven algorithms use two different data preprocessing techniques, namely an autoencoder neural network and PCA. With both approaches, the predicted measurements can be obtained with an acceptable margin of error and most importantly without activating the accelerator, thus saving time, even compared to a simulator that can produce the same result but much more slowly. The goal is to lay the groundwork for creating a digital twin of linac and conducting virtualized diagnostics using an innovative approach. [ABSTRACT FROM AUTHOR]

Surface plasmon polaritons (SPPs) have become a research hotspot due to their high intensity and subwavelength localization. Through free-electron excitation, a portion of the momentum of moving electrons can be converted into SPPs. Converting highly localized SPPs into a radiated field is an approach with the potential to aid in the development of a light radiation source. Reducing losses of SPPs is currently a critical challenge that needs to be addressed. The lifetime of SPPs in metal films is longer than that in metal blocks. Traditional optical gratings can transform SPPs into radiation to avoid the decay of SPPs in metal; however, they are created by etching metal films, so they tend to alter the dispersion characteristics of these films and will emit radiation in the direction perpendicular to the metal surface. This paper proposes an approach to converting the SPPs of a metal film excited by free electrons into a radiation field via lateral grating and obtaining in-plane radiation. We investigate the properties of SPP lateral radiation. The study of lateral radiation from metal films holds significant importance for SPP radiation sources and SPP on-chip circuit development. [ABSTRACT FROM AUTHOR]

The ability to study chemical dynamics on ultrafast timescales has greatly advanced with the introduction of X-ray free electron lasers (XFELs) providing short pulses of intense X-rays tailored to probe atomic structure and electronic configuration. Fully exploiting the full potential of XFELs requires specialized experimental endstations along with the development of techniques and methods to successfully carry out experiments. The liquid jet endstation (LJE) at the Linac Coherent Light Source (LCLS) has been developed to study photochemistry and biochemistry in solution systems using a combination of X-ray solution scattering (XSS), X-ray absorption spectroscopy (XAS), and X-ray emission spectroscopy (XES). The pump–probe setup utilizes an optical laser to excite the sample, which is subsequently probed by a hard X-ray pulse to resolve structural and electronic dynamics at their intrinsic femtosecond timescales. The LJE ensures reliable sample delivery to the X-ray interaction point via various liquid jets, enabling rapid replenishment of thin samples with millimolar concentrations and low sample volumes at the 120 Hz repetition rate of the LCLS beam. This paper provides a detailed description of the LJE design and of the techniques it enables, with an emphasis on the diagnostics required for real-time monitoring of the liquid jet and on the spatiotemporal overlap methods used to optimize the signal. Additionally, various scientific examples are discussed, highlighting the versatility of the LJE. [ABSTRACT FROM AUTHOR]

Single particle imaging at atomic resolution is perhaps one of the most desired goals for ultrafast X-ray science with X-ray free-electron lasers. Such a capability would create great opportunity within the biological sciences, as high-resolution structural information of biosamples that may not crystallize is essential for many research areas therein. In this paper, we report on a comprehensive computational study of diffraction image formation during single particle imaging of a macromolecule, containing over one hundred thousand non-hydrogen atoms. For this study, we use a dedicated simulation framework, SIMEX, available at the European XFEL facility. Our results demonstrate the full feasibility of computational single-particle imaging studies for biological samples of realistic size. This finding is important as it shows that the SIMEX platform can be used for simulations to inform relevant single-particle-imaging experiments and help to establish optimal parameters for these experiments. This will enable more focused and more efficient single-particle-imaging experiments at XFEL facilities, making the best use of the resource-intensive XFEL operation. [ABSTRACT FROM AUTHOR]

We present theoretical analysis and design considerations of a THz superradiant FEL. We derive analytical expressions for the spectral parameter of THz radiation, emitted superradiantly in a rectangular waveguide using a Longitudinal Section Magnetic mode expansion. The results compare well with numerical simulations using UCLA GPTFEL code. GPT simulations of the accelerator e-beam transport show that the chirp provided by a hybrid photocathode RF gun, can produce tight bunching at the undulator site below σ = 100fs. This enables intense superradiant emission up to 3THz, limited by the beam bunching factor. Phase-space analysis of the beam transport indicates that keeping the beam bunching parameter small enough for higher THz frequency operation is limited by the energy spread of the beam in the gun. [ABSTRACT FROM AUTHOR]

We investigate the effect of pre-bunched relativistic electron beams on the output power of a free electron laser by two electron beams in a theoretical study. In general, this highly coherent and stable pulse of laser is known as the best investigator of basic importance for present-day science. Free electron lasers are the best candidates for exploring nature at ultrasmall spatial and ultrafast temporal scales. In this paper, we have considered the distribution function of relativistic electron beams as a water-bag, and the configuration of the wiggler pump has assumed a helical magneto-static wiggler. By a set of nonlinear, 1D, coupled differential equations the wave-particle interaction problem has been analyzed. With the aid of MATLAB-based Runge-Kutta algorithm numerical solution has been obtained. Saturation profiles in different cases of pre-bunching phase region of beams have been plotted. Out-coming has shown that the saturation length decreases by about 7.2%. However, the amplitude of the output pulse increased by about 209.3% in comparison to the non-pre-bunched relativistic electron beams. [ABSTRACT FROM AUTHOR]

Experimental characterization of the structural, electronic and dynamic properties of dilute systems in aqueous solvents, such as nanoparticles, molecules and proteins, are nowadays an open challenge. X-ray absorption spectroscopy (XAS) is probably one of the most established approaches to this aim as it is element-specific. However, typical dilute systems of interest are often composed of light elements that require extreme-ultraviolet to soft X-ray photons. In this spectral regime, water and other solvents are rather opaque, thus demanding radical reduction of the solvent volume and removal of the liquid to minimize background absorption. Here, we present an experimental endstation designed to operate a liquid flat jet of sub-micrometre thickness in a vacuum environment compatible with extreme ultraviolet/soft XAS measurements in transmission geometry. The apparatus developed can be easily connected to synchrotron and free-electron-laser user-facility beamlines dedicated to XAS experiments. The conditions for stable generation and control of the liquid flat jet are analyzed and discussed. Preliminary soft XAS measurements on some test solutions are shown. [ABSTRACT FROM AUTHOR]

Physical optics simulations for beamlines and experiments allow users to test experiment feasibility and optimize beamline settings ahead of beam time in order to optimize valuable beam time at synchrotron light sources like NSLS-II. Further, such simulations also help to develop and test experimental data processing methods and software in advance. The Synchrotron Radiation Workshop (SRW) software package supports such complex simulations. We demonstrate how recent developments in SRW significantly improve the efficiency of physical optics simulations, such as end-to-end simulations of time-dependent X-ray photon correlation spectroscopy experiments with partially coherent undulator radiation (UR). The molecular dynamics simulation code LAMMPS was chosen to model the sample: a solution of silica nanoparticles in water at room temperature. Real-space distributions of nanoparticles produced by LAMMPS were imported into SRW and used to simulate scattering patterns of partially coherent hard X-ray UR from such a sample at the detector. The partially coherent UR illuminating the sample can be represented by a set of orthogonal coherent modes obtained by simulation of emission and propagation of this radiation through the coherent hard X-ray (CHX) scattering beamline followed by a coherent-mode decomposition. GPU acceleration is added for several key functions of SRW used in propagation from sample to detector, further improving the speed of the calculations. The accuracy of this simulation is benchmarked by comparison with experimental data. [ABSTRACT FROM AUTHOR]

A new experimental setup combining X-ray photon correlation spectroscopy (XPCS) in the hard X-ray regime and a high-pressure sample environment has been developed to monitor the pressure dependence of the internal motion of complex systems down to the atomic scale in the multi-gigapascal range, from room temperature to 600 K. The high flux of coherent high-energy X-rays at fourth-generation synchrotron sources solves the problems caused by the absorption of diamond anvil cells used to generate high pressure, enabling the measurement of the intermediate scattering function over six orders of magnitude in time, from 10-3 s to 10³ s. The constraints posed by the high-pressure generation such as the preservation of X-ray coherence, as well as the sample, pressure and temperature stability, are discussed, and the feasibility of high-pressure XPCS is demonstrated through results obtained on metallic glasses. [ABSTRACT FROM AUTHOR]

The undulator is a key luminous component of the Shanghai high repetition rate x-ray free electron laser and extreme light facility, and the motion control system is an important part of the undulator. The main task of the motion control system is to complete the high precision adjustment of the gap and taper between the upper magnetic pole girder and lower magnetic pole girder, so as to adjust the wavelength of the radiation light. According to the development requirements of the motion control system for the U26 undulator, which is a conventional permanent magnet, this paper proposes a new motion control system with double position feedback closed-loop control, including programmable logic controller (PLC) closed-loop control based on position feedback by a linear absolute encoder (LAE) and driver closed-loop control based on position feedback by a rotary absolute encoder (RAE) of a servo motor. Multiple motion tests of the U26 undulator have shown that the repeatability accuracy of the gap is ±50 nm and the gap drive can reach 0.1 µm step size, the error of which is about ±20 nm according to the feedback of the LAE. The conclusion can be drawn that the motion step size and repeatability accuracy of the motion control system for the U26 undulator are improved by one order of magnitude on the basis of meeting all technical requirements. At the same time, motor torque protection, motor temperature protection, and redundant position protection with RAE can further improve the reliability and safety of the motion control system for the U26 undulator. [ABSTRACT FROM AUTHOR]