X-ray Free-electron Laser Beamline Research Articles

Spexwavepy: an open-source Python package for X-ray wavefront sensing using speckle-based techniques.

In situ wavefront sensing plays a critical role in the delivery of high-quality beams for X-ray experiments. X-ray speckle-based techniques stand out among other in situ techniques for their easy experimental setup and various data acquisition modes. Although X-ray speckle-based techniques have been under development for more than a decade, there are still no user-friendly software packages for new researchers to begin with. Here, we present an open-source Python package, spexwavepy, for X-ray wavefront sensing using speckle-based techniques. This Python package covers a variety of X-ray speckle-based techniques, provides plenty of examples with real experimental data and offers detailed online documentation for users. We hope it can help new researchers learn and apply the speckle-based techniques for X-ray wavefront sensing to synchrotron radiation and X-ray free-electron laser beamlines.

Status and future of the soft X-ray free-electron laser beamline at the SHINE

The Shanghai High repetition rate XFEL and Extreme light facility (SHINE) is under construction and aims at generating X-rays between 0.4 and 25 keV with three FEL beamlines at repetition rates of up to 1 MHz. The soft X-ray FEL beamline, FEL-II, will be ready for commissioning in 2025. It is designed to cover the photon energy from 0.4 to 3 keV, in which the baselines of the FEL operation modes are self-amplified spontaneous emission (SASE), self-seeding, echo-enabled harmonic generation (EEHG), and polarization control. Therefore, a high repetition-rate external seed laser, large period length modulator, soft X-ray monochromator, planar undulator, and elliptically polarized undulator have been adopted in the FEL-II beamline. Several potentials such as an ultra-short pulse mode and a multi-color mode are also foreseeable without significant equipment changes in the follow-up operation. A dual-period undulator design is suggested for the echo-enabled harmonic generation (EEHG) commissioning, and it has great potential to break through the unreachable energy of the fully coherent X-ray in the future. The FEL-II beamline will deliver SASE radiation and fully coherent radiation in all the wavelengths of interest.

Data-driven modeling and control of an X-ray bimorph adaptive mirror.

Adaptive X-ray mirrors are being adopted on high-coherent-flux synchrotron and X-ray free-electron laser beamlines where dynamic phase control and aberration compensation are necessary to preserve wavefront quality from source to sample, yet challenging to achieve. Additional difficulties arise from the inability to continuously probe the wavefront in this context, which demands methods of control that require little to no feedback. In this work, a data-driven approach to the control of adaptive X-ray optics with piezo-bimorph actuators is demonstrated. This approach approximates the non-linear system dynamics with a discrete-time model using random mirror shapes and interferometric measurements as training data. For mirrors of this type, prior states and voltage inputs affect the shape-change trajectory, and therefore must be included in the model. Without the need for assumed physical models of the mirror's behavior, the generality of the neural network structure accommodates drift, creep and hysteresis, and enables a control algorithm that achieves shape control and stability below 2 nm RMS. Using a prototype mirror and ex situ metrology, it is shown that the accuracy of our trained model enables open-loop shape control across a diverse set of states and that the control algorithm achieves shape error magnitudes that fall within diffraction-limited performance.

Shot-to-shot two-dimensional photon intensity diagnostics within megahertz pulse-trains at the European XFEL.

Characterizing the properties of X-ray free-electron laser (XFEL) sources is a critical step for optimization of performance and experiment planning. The recent availability of MHz XFELs has opened up a range of new opportunities for novel experiments but also highlighted the need for systematic measurements of the source properties. Here, MHz-enabled beam imaging diagnostics developed for the SPB/SFX instrument at the European XFEL are exploited to measure the shot-to-shot intensity statistics of X-ray pulses. The ability to record pulse-integrated two-dimensional transverse intensity measurements at multiple planes along an XFEL beamline at MHz rates yields an improved understanding of the shot-to-shot photon beam intensity variations. These variations can play a critical role, for example, in determining the outcome of single-particle imaging experiments and other experiments that are sensitive to the transverse profile of the incident beam. It is observed that shot-to-shot variations in the statistical properties of a recorded ensemble of radiant intensity distributions are sensitive to changes in electron beam current density. These changes typically occur during pulse-distribution to the instrument and are currently not accounted for by the existing suite of imaging diagnostics. Modulations of the electron beam orbit in the accelerator are observed to induce a time-dependence in the statistics of individual pulses - this is demonstrated by applying radio-frequency trajectory tilts to electron bunch-trains delivered to the instrument. We discuss how these modifications of the beam trajectory might be used to modify the statistical properties of the source and potential future applications.

Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I

Photosystem I (PS I) has a symmetric structure with two highly similar branches of pigments at the center that are involved in electron transfer, but shows very different efficiency along the two branches. We have determined the structure of cyanobacterial PS I at room temperature (RT) using femtosecond X-ray pulses from an X-ray free electron laser (XFEL) that shows a clear expansion of the entire protein complex in the direction of the membrane plane, when compared to previous cryogenic structures. This trend was observed by complementary datasets taken at multiple XFEL beamlines. In the RT structure of PS I, we also observe conformational differences between the two branches in the reaction center around the secondary electron acceptors A1A and A1B. The π-stacked Phe residues are rotated with a more parallel orientation in the A-branch and an almost perpendicular confirmation in the B-branch, and the symmetry breaking PsaB-Trp673 is tilted and further away from A1A. These changes increase the asymmetry between the branches and may provide insights into the preferential directionality of electron transfer.

XFEL beamline design for vacuum birefringence experiment

The station of extreme light (SEL) at Shanghai High repetition rate XFEL and Extreme light facility (SHINE) combines 100 PW laser pulse and an X-ray free electron laser (XFEL) beam, which provides possible experimental conditions for observing the effect of vacuum birefringence. We have designed the XFEL beamline of SEL with X-ray energy of 12.914 keV aiming for vacuum birefringence experiment. Ultra-high polarization purity of the X-ray beam at the level of 10−10 is required before colliding with a 100 PW laser pulse. An X-ray polarizer is set at the end of the designed beamline to avoid the potential risk of depolarization induced by any other X-ray component. The designed beamline provides a focal X-ray beam FWHM size of 6.35μm and total transmission of 3.5%. Further calculation indicates that 333 shots are needed to reach 5σ confidence level for the vacuum birefringence experiment under optimal conditions with present design parameters of 100 PW laser pulse and XFEL beam in SEL. Moreover, potential radiation damage, and proposed engineering stability requirements and system’s adjustment capabilities of X-ray beamline have been discussed.

The SwissFEL soft X-ray free-electron laser beamline: Athos.

The SwissFEL soft X-ray free-electron laser (FEL) beamline Athos will be ready for user operation in 2021. Its design includes a novel layout of alternating magnetic chicanes and short undulator segments. Together with the APPLE X architecture of undulators, the Athos branch can be operated in different modes producing FEL beams with unique characteristics ranging from attosecond pulse length to high-power modes. Further space has been reserved for upgrades including modulators and an external seeding laser for better timing control. All of these schemes rely on state-of-the-art technologies described in this overview. The optical transport line distributing the FEL beam to the experimental stations was designed with the whole range of beam parameters in mind. Currently two experimental stations, one for condensed matter and quantum materials research and a second one for atomic, molecular and optical physics, chemical sciences and ultrafast single-particle imaging, are being laid out such that they can profit from the unique soft X-ray pulses produced in the Athos branch in an optimal way.

Laser systems for time-resolved experiments at the Pohang Accelerator Laboratory X-ray Free-Electron Laser beamlines.

Optical laser systems for ultrafast X-ray sciences have been established at the Pohang Accelerator Laboratory X-ray Free-Electron Laser (PAL-XFEL) beamlines. Three Ti:sapphire regenerative amplifier systems are synchronized to the XFEL with femtosecond precision, and the low temporal jitter of the PAL-XFEL results in an experimental time resolution below 150 fs (full width at half-maximum). A fundamental wave and its harmonics are currently provided for all beamlines, and tunable sources from ultraviolet to near-infrared are available for one beamline. The position stability of the optical laser extracted from the intensity-based center of mass at the sample position is less than 3% (r.m.s.) of the spot size.

Arrival timing diagnostics at a soft X-ray free-electron laser beamline of SACLA BL1.

An arrival timing monitor for the soft X-ray free-electron laser (XFEL) beamline of SACLA BL1 has been developed. A small portion of the soft XFEL pulse is branched using the wavefront-splitting method. The branched FEL pulse is one-dimensionally focused onto a GaAs wafer to induce a transient reflectivity change. The beam branching method enables the simultaneous operation of the arrival timing diagnostics and experiments. The temporal resolution evaluated from the imaging system is ∼22 fs in full width at half-maximum, which is sufficient considering the temporal durations of the soft XFEL and the optical laser pulses.

Dynamic adaptive X-ray optics. Part II. High-speed piezoelectric bimorph deformable Kirkpatrick-Baez mirrors for rapid variation of the 2D size and shape of X-ray beams.

The tangential curvature of actively bent X-ray mirrors at synchrotron radiation and X-ray free-electron laser (XFEL) facilities is typically only changed every few hours or even days. This operation can take tens of minutes for active optics with multiple bending actuators and often requires expert guidance using in situ monitoring devices. Hence, the dynamic performance of active X-ray optics for synchrotron beamlines has historically not been exploited. This is in stark contrast to many other scientific fields. However, many areas of synchrotron radiation and XFEL science, including macromolecular crystallography, could greatly benefit from the ability to change the size and shape of the X-ray beam rapidly and continuously. The advantages of this innovative approach are twofold: a large reduction in the dead time required to change the size of the X-ray beam for different-sized samples and the possibility of making multiple changes to the beam during the measurement of a single sample. In the preceding paper [Part I; Alcock, Nistea, Signorato & Sawhney (2019), J.Synchrotron Rad. 26, 36-44], which accompanies this article, high-speed visible-light Fizeau interferometry was used to identify the factors which influence the dynamic bending behaviour of piezoelectric bimorph deformable X-ray mirrors. Building upon this ex situ metrology study, provided here is the first synchrotron radiation beamline implementation of high-speed adaptive X-ray optics using two bimorphs operating as a Kirkpatrick-Baez pair. With optimized substrates, novel opto-mechanical holders and a next-generation high-voltage power supply, the size of an X-ray beam was rapidly and repeatedly switched in <10 s. Of equal importance, it is also shown that compensation of piezoelectric creep ensures that the X-ray beam size remains stable for more than 1 h after making a major change. The era of high-speed adaptive X-ray optics for synchrotron radiation and XFEL beamlines has begun.

Non-perturbing THz generation at the Tsinghua University Accelerator Laboratory 31 MeV electron beamline.

In recent experiments at Tsinghua University Accelerator Laboratory, the 31 MeV electron beam, which has been compressed to subpicosecond pulse durations, has been used to generate high peak power, narrow band Terahertz (THz) radiation by transit through different slow wave structures, specifically quartz capillaries metallized on the outside. Despite the high peak powers that have been produced, the THz pulse energy is negligible compared to the energy of the electron beam. Therefore, the THz generation process can be complementary to other beamline applications like plasma wakefield acceleration studies and Compton x-ray free electron lasers. This approach can be used at x-ray free electron laser beamlines, where THz radiation can be generated without disturbing the x-ray generation process. In the experiment reported here, a high peak current electron beam generated strong narrow band (∼1% bandwidth) THz signals in the form of a mixture of TM01 and TM02 modes. Each slow wave structure is completed with a mode converter at the end of the structure that allows for efficient (>90%) power extraction into free space. In the experiment, both modes in these two dielectric-loaded waveguides TM01 (0.3 THz/0.5 THz) and TM02 (0.9 THz/1.3 THz) were explicitly measured with an interferometer. The THz pulse energy was measured with a calibrated Golay cell at a few μJ.

Carbonic anhydrase II microcrystals suitable for XFEL studies.

Recent advances in X-ray free-electron laser (XFEL) sources have permitted the study of protein dynamics. Femtosecond X-ray pulses have allowed the visualization of intermediate states in enzyme catalysis. In this study, the growth of carbonic anhydrase II microcrystals (40-80 µm in length) suitable for the collection of XFEL diffraction data at the Pohang Accelerator Laboratory is demonstrated. The crystals diffracted to 1.7 Å resolution and were indexed in space group P21, with unit-cell parameters a = 42.2, b = 41.2, c = 72.0 Å, β=104.2°. These preliminary results provide the necessary framework for time-resolved experiments to study carbonic anhydrase catalysis at XFEL beamlines.

Absolute laser-intensity measurement and online monitor calibration using a calorimeter at a soft X-ray free-electron laser beamline in SACLA

This paper reports measurement of the absolute intensity of free-electron laser (FEL) and calibration of online intensity monitors for a brand-new FEL beamline BL1 at SPring-8 Angstrom Compact free-electron LAser (SACLA) in Japan. To measure the absolute intensity of FEL, we used a room-temperature calorimeter originally developed for FELs in the hard X-ray range. By using the calorimeter, we calibrated online intensity monitors of BL1, gas monitors (GMs), based on the photoionization of argon gas, in the photon energy range from 25 eV to 150 eV. A good correlation between signals obtained from the calorimeter and GMs was observed in the pulse energy range from 1 μJ to 100 μJ, where the upper limit is nearly equal to the maximum pulse energy at BL1. Moreover, the calibration result of the GMs, measured in terms of the spectral responsivity, demonstrates a characteristic photon-energy dependence owing to the occurrence of the Cooper minimum in the total ionization cross-section of argon gas. These results validate the feasibility of employing the room-temperature calorimeter in the measurement of absolute intensity of FELs over the specified photon energy range.

Single-shot arrival timing diagnostics for a soft X-ray free-electron laser beamline at SACLA.

Arrival timing diagnostics performed at a soft X-ray free-electron laser (FEL) beamline of SACLA are described. Intense soft X-ray FEL pulses with one-dimensional focusing efficiently induce transient changes of optical reflectivity on the surface of GaAs. The arrival timing between soft X-ray FEL and optical laser pulses was successfully measured as a spatial position of the reflectivity change. The temporal resolution evaluated from the imaging system reaches ∼10 fs. This method requires only a small portion of the incident pulse energy, which enables the simultaneous operation of the arrival timing diagnostics and experiments by introducing a wavefront-splitting scheme.

A soft X-ray free-electron laser beamline at SACLA: the light source, photon beamline and experimental station.

The design and performance of a soft X-ray free-electron laser (FEL) beamline of the SPring-8 Compact free-electron LAser (SACLA) are described. The SPring-8 Compact SASE Source test accelerator, a prototype machine of SACLA, was relocated to the SACLA undulator hall for dedicated use for the soft X-ray FEL beamline. Since the accelerator is operated independently of the SACLA main linac that drives the two hard X-ray beamlines, it is possible to produce both soft and hard X-ray FEL simultaneously. The FEL pulse energy reached 110 µJ at a wavelength of 12.4 nm (i.e. photon energy of 100 eV) with an electron beam energy of 780 MeV.

Focusing X-ray free-electron laser pulses using Kirkpatrick-Baez mirrors at the NCI hutch of thePAL-XFEL.

The Pohang Accelerator Laboratory X-ray Free-Electron Laser (PAL-XFEL) is a recently commissioned X-ray free-electron laser (XFEL) facility that provides intense ultrashort X-ray pulses based on the self-amplified spontaneous emission process. The nano-crystallography and coherent imaging (NCI) hutch with forward-scattering geometry is located at the hard X-ray beamline of the PAL-XFEL and provides opportunities to perform serial femtosecond crystallography and coherent X-ray diffraction imaging. To produce intense high-density XFEL pulses at the interaction positions between the X-rays and various samples, a microfocusing Kirkpatrick-Baez (KB) mirror system that includes an ultra-precision manipulator has been developed. In this paper, the design of a KB mirror system that focuses the hard XFEL beam onto a fixed sample point of the NCI hutch, which is positioned along the hard XFEL beamline, is described. The focusing system produces a two-dimensional focusing beam at approximately 2 µm scale across the 2-11 keV photon energy range. XFEL pulses of 9.7 keV energy were successfully focused onto an area of size 1.94 µm × 2.08 µm FWHM.

Long, elliptically bent, active X-ray mirrors with slope errors

Actively bent X-ray mirrors are important components of many synchrotron and X-ray free-electron laser beamlines. A high-quality optical surface and good bending performance are essential to ensure that the X-ray beam is accurately focused. Two elliptically bent X-ray mirror systems from FMB Oxford were characterized in the optical metrology laboratory at Diamond Light Source. A comparison of Diamond-NOM slope profilometry and finite-element analysis is presented to investigate how the 900 mm-long mirrors sag under gravity, and how this deformation can be adequately compensated using a single, spring-loaded compensator. It is shown that two independent mechanical actuators can accurately bend the trapezoidal substrates to a range of elliptical profiles. State-of-the-art residual slope errors of <200 nrad r.m.s. are achieved over the entire elliptical bending range. High levels of bending repeatability (ΔR/R = 0.085% and 0.156% r.m.s. for the two bending directions) and stability over 24 h (ΔR/R= 0.07% r.m.s.) provide reliable beamline performance.

X-ray grating interferometer for insitu and at-wavelength wavefront metrology.

A wavefront metrology setup based on the X-ray grating interferometry technique for spatially resolved, quantitative, insitu and at-wavelength measurements of the wavefront at synchrotron radiation and hard X-ray free-electron laser beamlines is reported. Indeed, the ever-increasing demands on the optical components to preserve the wavefront shape and the coherence of the delivered X-ray beam call for more and more sensitive diagnostic instruments. Thanks to its angular sensitivity, X-ray grating interferometry has been established in recent years as an adequate wavefront-sensing technique for quantitatively assessing the quality of the X-ray wavefront under working conditions and hence for the insitu investigation of X-ray optical elements. In order to characterize the optical elements at any given beamline by measuring the aberrations introduced in the wavefront, a transportable X-ray grating interferometry setup was realised at the Swiss Light Source (SLS). The instrument, which is expected to be a valuable tool for investigating the quality of the X-ray beam delivered at an endstation, will be described hereafter in terms of the hardware setup and the related data analysis procedure. Several exemplary experiments performed at the X05DA Optics beamline of the SLS will be presented.

Deflector for XFEL TDS BC1

Deflector is the part of the Transverse Deflecting System TDS BC1 of the European X-ray Free Electron Laser (XFEL). TDS BC1 is located on the XFEL beam line at the coordinate z=206 m. This system is designed to monitor the longitudinal phase space and the emittance of the accelerated electron bunch after Bunch Compressor 1 (BC1), where electron beam energy is 600 MeV. The deflector includes waveguide window, waveguide load, E-bend, ion pump adapters, two antennas, two ion pumps and 1.7 m long disk-loaded EH-hybrid mode deflecting structure. Operating frequency is 2997.2 MHz. Input RF power is up to 24 MW. The deflector has been manufactured, and all designed RF parameters have been obtained experimentally at low RF power level.

Compound refractive lenses as prefocusing optics for X-ray FEL radiation.

The performance of X-ray free-electron laser beamlines may be limited by the angular aperture. Compound refractive lenses (CRLs) can be employed to prefocus the X-ray beam, thereby increasing the beamline transmission. A prefocusing CRL was implemented in the X-ray transport of the Matter under Extreme Conditions Instrument at the Linac Coherent Light Source. A significant improvement in the beamline transmission was calculated over the 3-10 keV photon energy range. At 5 keV, the relative X-ray intensity was measured and a factor of four increase was seen in the beamline transmission. The X-ray focus was also determined by the ablation imprint method.