Search Results (50)

The development of serial crystallography (SX), including serial synchrotron crystallography (SSX) at synchrotron sources and serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs), has facilitated the collection of high-resolution diffraction data from micron-sized crystals, providing unique insights into the structures and dynamics of biomolecules at room temperature. Standard samples are essential for the commissioning of new XFEL instruments and the validation of experimental setups. In this review, we summarize currently used standard proteins and describe representative microcrystal preparation workflows for four widely adopted models, lysozyme, myoglobin, iq-mEmerald, and photoactive yellow protein (PYP), drawing on established methodologies and accumulated experience from their applications at the European XFEL. By consolidating existing knowledge and integrating protocols that have been systematically refined and optimized through our experimental efforts, this review aims to provide practical guidance for the serial crystallography community, thereby enhancing reproducibility and ensuring consistent experimental performance across facilities. Full article

Ice crystallization in supercooled water is a complex phenomenon with far-reaching implications across scientific disciplines, including cloud formation physics and cryopreservation. Experimentally studying such complexity can be a highly data-driven and data-hungry endeavor because of the need to record rare events that cannot be triggered on demand. Here, we describe such an experiment comprising 561 million images of X-ray free-electron laser (XFEL) diffraction patterns (2.3 $\mathrm{PB}$ raw data) spanning the disorder-to-order transition in micrometer-sized supercooled water droplets. To effectively analyze these patterns, we propose a data reduction (i.e., coarse-graining) and dimensionality reduction (i.e., principal component analysis) strategy. We show that a simple set of criteria on this reduced dataset can efficiently classify these patterns in the absence of reference diffraction signatures, which we validated using more precise but computationally expensive unsupervised machine learning techniques. For hit-finding, our strategy attained 98% agreement with our cross-validation. We speculate that these strategies may be generalized to other types of large high-dimensional datasets generated at high-throughput XFEL facilities. Full article

Free-electron lasers (FELs) operating in the extreme ultraviolet (XUV) and X-ray regions deliver ultrashort pulses with unprecedented intensity, enabling groundbreaking research across various scientific disciplines. A potential chirp (frequency change within the pulse) of these pulses influences their spectral properties, directly impacting the experimental outcomes and FEL performance. The accurate characterization of the chirp is, therefore, important for optimizing FEL operation and interpreting experimental results. This study presents a comprehensive comparison of two techniques determining the chirp of the XUV pulses at FLASH by directly measuring the XUV pulses with THz streaking and by detecting the chirp of the electron bunches by a Transverse Deflection Structure (PolariX TDS) to infer the XUV chirp. We conducted simultaneous measurements using both techniques at FLASH2 while tuning the FEL to produce various energy chirps on the electron bunch. Full article

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. Full article

Femtosecond high-intensity laser pulses at intensities surpassing 10¹⁴ W/cm² can generate a diverse range of functional surface nanostructures. Achieving precise control over the production of these functional structures necessitates a thorough understanding of the surface morphology dynamics with nanometer-scale spatial resolution and picosecond-scale temporal resolution. In this study, we show that single XFEL pulses can elucidate structural changes on surfaces induced by laser-generated plasmas using grazing-incidence small-angle X-ray scattering (GISAXS). Using aluminium-coated multilayer samples we distinguish between sub-picosecond (ps) surface morphology dynamics and subsequent multi-ps subsurface density dynamics with nanometer-depth sensitivity. The observed subsurface density dynamics serve to validate advanced simulation models representing matter under extreme conditions. Our findings promise to open new avenues for laser material-nanoprocessing and high-energy-density science. Full article

The high peak current of the electron beam was found to be the key parameter for the THz SASE FEL at the Photo Injector Test facility at DESY in Zeuthen (PITZ). A multipurpose bunch compressor was implemented at PITZ to expand the parameter space of proof-of-principle studies on the tunable high-power accelerator-based THz source for pump-probe experiments at the European XFEL. The magnetic chicane, consisting of four rectangular dipole magnets, is designed with a bending angle of 19 degrees, due to limited space in the PITZ original beamline, to compress electron bunches with a beam momentum of 15–20 MeV/c and a charge up to 2 nC. The space charge effect and coherent synchrotron radiation are expected to drastically affect the bunch compressor performance for these parameters, thereby challenging the beam transport throughout the bunch compressor. A staged commissioning strategy was developed in order to achieve optimum bunch compressor operation. The first commissioning procedure establishes electron beam transport throughout the reference path and provides minimum beam momentum dispersion after the bunch compressor. This procedure yielded correlations between dipole magnet currents. As a result, the first bunch compression experiments were performed. Full article

Low-level radio frequency (LLRF) systems have been designed to regulate the accelerator field in the cavity; these systems have been used in the free electron laser (FLASH) and European X-ray free-electron laser (E-XFEL). However, the reliable operation of these cavities is often hindered by two primary sources of noise and disturbances: Lorentz force detuning (LFD) and mechanical vibrations, commonly known as microphonics. This article presents an innovative solution in the form of a narrowband active noise controller (NANC) designed to compensate for the narrowband mechanical noise generated by certain supporting machines, such as vacuum pumps and helium pressure vibrations. To identify the adaptive filter coefficients in the NANC method, a least mean squares (LMS) algorithm is put forward. Furthermore, a variable step size (VSS) method is proposed to estimate the adaptive filter coefficients based on changes in microphonics, ultimately compensating for their effects on the cryomodule. An accelerometer with an SPI interface and some transmission boards are manufactured and mounted at the cryomodule test bench (CMTB) to measure the microphonics and transfer them via Ethernet cable from the cryomodule side to the LLRF crate side. Several locations had been selected to find the optimal location for installing the accelerometer. The proposed NANC method is characterized by low computational complexity, stability, and high tracking ability. By addressing the challenges associated with noise and disturbances in cavity operation, this research contributes to the enhanced performance and reliability of LLRF systems in particle accelerators. Full article

In this communication, we describe the application of Boltzmann kinetic equations for modeling massive electronic excitation in a silicon nanocrystal film after its irradiation with intense femtosecond hard X-ray pulses. This analysis was inspired by an experiment recently performed at the X-ray free-electron laser facility SACLA, which measured a significant reduction in atomic scattering factors triggered by an X-ray pulse of the intensity ∼${10}^{19}$ W/cm${}^2$, occurring on a timescale comparable with the X-ray pulse duration (6 fs full width at half maximum). We show that a Boltzmann kinetic equation solver can accurately follow the details of the electronic excitation in silicon atoms caused by such a hard X-ray pulse, yielding predictions in very good agreement with the experimental data. Full article

X-ray free electron lasers deliver photon pulses that are bright enough to observe diffraction from extremely small crystals at a time scale that outruns their destruction. As crystals are continuously replaced, this technique is termed serial femtosecond crystallography (SFX). Due to its high pulse repetition rate, the European XFEL enables the collection of rich and extensive data sets, which are suited to study various scientific problems, including ultra-fast processes. The enormous data rate, data complexity, and the nature of the pixelized multimodular area detectors at the European XFEL pose severe challenges to users. To streamline the analysis of the SFX data, we developed the semiautomated pipeline EXtra-Xwiz around the established CrystFEL program suite, thereby processing diffraction patterns on detector frames into structure factors. Here we present EXtra-Xwiz, and we introduce its architecture and use by means of a tutorial. Future plans for its development and expansion are also discussed. Full article

We report on observations of single spike spectra (3–13% of events) upon employing a previously proposed method for single spike generation via harmonic conversion. The method was tested at the soft X-ray SASE3 undulator of the European XFEL. The first part of the undulator allows one to amplify bunching at the fundamental as well as the higher harmonics. The downstream undulator is tuned to a harmonic, the fourth in our case, to amplify pulses with a shorter duration. We estimate the generated pulse duration within such a subset of short pulses at a level of 650 as. Considering the demonstrated probability of single spike events, this method is attractive for high repetition-rate free electron lasers. Full article

Self-amplified spontaneous-emission (SASE) free-electron lasers (FELs) deliver ultrashort pulses with femtosecond durations. Due to the fluctuating nature of the radiation properties of SASE FELs, characterizing FEL pulses on a single-shot basis is necessary. Therefore, we use terahertz streaking to characterize the temporal properties of ultrashort extreme ultraviolet pulses from the free-electron laser in Hamburg (FLASH). In this study, pulse duration as well as pulse energy are measured in a wavelength range from 8 to 34 nm as functions of undulators contributing to the lasing process. The results are compared to one-dimensional and three-dimensional, time-dependent FEL simulations. Full article

In this work, we report on incorporating for the first time tree-algorithm based solvers into the molecular dynamics code, XMDYN. XMDYN was developed to describe the interaction of ultrafast X-ray pulses with atomic assemblies. It is also a part of the simulation platform, SIMEX, developed for computational single-particle imaging studies at the SPB/SFX instrument of the European XFEL facility. In order to improve the XMDYN performance, we incorporated the existing tree-algorithm based Coulomb solver, PEPC, into the code, and developed a dedicated tree-algorithm based secondary ionization solver, now also included in the XMDYN code. These extensions enable computationally efficient simulations of X-ray irradiated large atomic assemblies, e.g., large protein systems or viruses that are of strong interest for ultrafast X-ray science. The XMDYN-based preparatory simulations can now guide future single-particle-imaging experiments at the free-electron-laser facility, EuXFEL. Full article

We experimentally investigated the quasifree mechanism (QFM) in one-photon double ionization of He and H${}_2$ at 800 eV photon energy and circular polarization with a COLTRIMS reaction microscope. Our work provides new insight into this elusive photoionization mechanism that was predicted by Miron Amusia more than four decades ago. We found the distinct four-fold symmetry in the angular emission pattern of QFM electrons from H${}_2$ double ionization that has previously only been observed for He. Furthermore, we provide experimental evidence that the photon momentum is not imparted onto the center of mass in quasifree photoionization, which is in contrast to the situation in single ionization and in double ionization mediated by the shake-off and knock-out mechanisms. This finding is substantiated by numerical results obtained by solving the system’s full-dimensional time-dependent Schrödinger equation beyond the dipole approximation. Full article

Multilayer Laue lenses (MLLs) made from WC and SiC were previously used to focus megahertz X-ray pulse trains of the European XFEL free-electron laser, but suffered damage with trains of 30 pulses or longer at an incident fluence of about 0.13 J/cm² per pulse. Here, we present numerical simulations of the heating of MLLs of various designs, geometry and material properties, that are exposed to such pulse trains. We find that it should be possible to focus the full beam of about 10 J/cm² fluence of XFEL using materials of a low atomic number. To achieve high diffraction efficiency, lenses made from such materials should be considerably thicker than those used in the experiments. In addition to the lower absorption, this leads to the deposition of energy over a larger volume of the multilayer structure and hence to a lower dose, a lower temperature increase, and an improved dissipation of heat. Full article

This perspective review describes emerging techniques and future opportunities for time-resolved serial femtosecond crystallography (TR-SFX) experiments using high repetition rate XFEL sources. High repetition rate sources are becoming more available with the European XFEL in operation and the recently upgraded LCLS-II will be available in the near future. One efficient use of these facilities for TR-SFX relies on pump–probe experiments using a laser to trigger a reaction of light-responsive proteins or mix-and-inject experiments for light-unresponsive proteins. With the view to widen the application of TR-SFX, the promising field of photocaged compounds is under development, which allows the very fast laser triggering of reactions that is no longer limited to naturally light-responsive samples. In addition to reaction triggering, a key concern when performing an SFX experiment is efficient sample usage, which is a main focus of new high repetition rate-compatible sample delivery methods. Full article