Linear Coherent Light Source Research Articles

Electrically stimulated droplet injector for reduced sample consumption in serial crystallography

With advances in X-ray free-electron lasers (XFELs), serial femtosecond crystallography (SFX) has enabled the static and dynamic structure determination for challenging proteins such as membrane protein complexes. In SFX with XFELs, the crystals are typically destroyed after interacting with a single XFEL pulse. Therefore, thousands of new crystals must be sequentially introduced into the X-ray beam to collect full data sets. Because of the serial nature of any SFX experiment, up to 99% of the sample delivered to the X-ray beam during its “off-time” between X-ray pulses is wasted due to the intrinsic pulsed nature of all current XFELs. To solve this major problem of large and often limiting sample consumption, we report on improvements of a revolutionary sample-saving method that is compatible with all current XFELs. We previously reported 3D-printed injection devices coupled with gas dynamic virtual nozzles (GDVNs) capable of generating samples containing droplets segmented by an immiscible oil phase for jetting crystal-laden droplets into the path of an XFEL. Here, we have further improved the device design by including metal electrodes inducing electrowetting effects for improved control over droplet generation frequency to stimulate the droplet release to matching the XFEL repetition rate by employing an electrical feedback mechanism. We report the improvements in this electrically triggered segmented flow approach for sample conservation in comparison with a continuous GDVN injection using the microcrystals of lysozyme and 3-deoxy-D-manno-octulosonate 8-phosphate synthase and report the segmented flow approach for sample injection applied at the Macromolecular Femtosecond Crystallography instrument at the Linear Coherent Light Source for the first time.

Medium-temperature furnace baking of 1.3 GHz 9-cell superconducting cavities at IHEP

Recently, heat treatment in the range of 250 °C–500 °C has been attempted with the aim of improving the quality factor (Q) of superconducting radio-frequency (SRF) cavities worldwide. Herein, medium-temperature (mid-T) furnace baking experiments were conducted at the Institute of High Energy Physics to obtain higher Q values. First, 1.3 GHz 1-cell cavities received mid-T furnace baking at different temperatures, resulting in not only the improvement of Q but also an anti-Q-slope behavior. Furthermore, mid-T furnace baking was applied to six 1.3 GHz 9-cell cavities, all of which indicated higher Q and anti-Q-slope behavior. The average Q was 3.8 × 1010 at 16 MV m−1. The maximum gradients of the 9-cell cavities were 22.7–26.5 MV m−1. Finally, the mid-T furnace baked 1.3 GHz 9-cell cavities were welded with helium vessel, with no degradation in the vertical tests. In addition, the mid-T furnace baking process was simplified in comparison with European X-ray Free Electron Laser and Linear Coherent Light Source because of the cancellation of light electro-polishing. This simplification is beneficial in the mass production of SRF cavities with high Q, which are widely adopted in free electron lasers and high-energy colliders.

Techniques for studying materials under extreme states of high energy density compression

The properties of materials under extreme conditions of pressure and density are of key interest to a number of fields, including planetary geophysics, materials science, and inertial confinement fusion. In geophysics, the equations of state of planetary materials, such as hydrogen and iron, under ultrahigh pressure and density provide a better understanding of their formation and interior structure [Celliers et al., “Insulator-metal transition in dense fluid deuterium,” Science 361, 677–682 (2018) and Smith et al., “Equation of state of iron under core conditions of large rocky exoplanets,” Nat. Astron. 2, 591–682 (2018)]. The processes of interest in these fields occur under conditions of high pressure (100 GPa–100 TPa), high temperature (>3000 K), and sometimes at high strain rates (>103 s−1) depending on the process. With the advent of high energy density (HED) facilities, such as the National Ignition Facility (NIF), Linear Coherent Light Source, Omega Laser Facility, and Z, these conditions are reachable and numerous experimental platforms have been developed. To measure compression under ultrahigh pressure, stepped targets are ramp-compressed and the sound velocity, measured by the velocity interferometer system for any reflector diagnostic technique, from which the stress-density of relevant materials is deduced at pulsed power [M. D. Knudson and M. P. Desjarlais, “High-precision shock wave measurements of deuterium: Evaluation of exchange-correlation functionals at the molecular-to-atomic transition,” Phys. Rev. Lett. 118, 035501 (2017)] and laser [Smith et al., “Equation of state of iron under core conditions of large rocky exoplanets,” Nat. Astron. 2, 591–682 (2018)] facilities. To measure strength under high pressure and strain rates, experimenters measure the growth of Rayleigh–Taylor instabilities using face-on radiography [Park et al., “Grain-size-independent plastic flow at ultrahigh pressures and strain rates,” Phys. Rev. Lett. 114, 065502 (2015)]. The crystal structure of materials under high compression is measured by dynamic x-ray diffraction [Rygg et al., “X-ray diffraction at the national ignition facility,” Rev. Sci. Instrum. 91, 043902 (2020) and McBride et al., “Phase transition lowering in dynamically compressed silicon,” Nat. Phys. 15, 89–94 (2019)]. Medium range material temperatures (a few thousand degrees) can be measured by extended x-ray absorption fine structure techniques, Yaakobi et al., “Extended x-ray absorption fine structure measurements of laser-shocked V and Ti and crystal phase transformation in Ti,” Phys. Rev. Lett. 92, 095504 (2004) and Ping et al., “Solid iron compressed up to 560 GPa,” Phys. Rev. Lett. 111, 065501 (2013), whereas more extreme temperatures are measured using x-ray Thomson scattering or pyrometry. This manuscript will review the scientific motivations, experimental techniques, and the regimes that can be probed for the study of materials under extreme HED conditions.

A multilevel finite element-multibody approach to design the suspension system for the road transportation of SSR1 cryomodule

Cryomodules (CM) represents edge-frontier assemblies in particle physics research field. The road transportation of CM is a critical phase during which the structures can be subjected to significant dynamic loads. It is therefore necessary to design a Transportation Tool (TT) equipped with an appropriate suspension system. This work describes the approach adopted for the design of the TT for the CM PIP-II SSR1 (Proton Improvement Plan-II – Single Spoke Resonators 1), which is firstly introduced in the CM research field. Initially a Finite Element (FE) model was developed, considering the main sub-assemblies of the CM. However, this model was not suitable for the design of the TT due to the high computational burden. For this reason the model was exported as a Modal Neutral File and imported into a MultiBody software (MB) where the remaining components were modeled as concentrated stiffnesses or rigid bodies. The MB model thus obtained has drastically reduced the calculation time, proving to be fundamental in the TT iterative design phase, which involves the use of Helical Isolators (HI) performing the function of mechanical filters. To validate the effectiveness of TT in reducing dynamic loads, a 3D acceleration profile measured during the transport of a similar cryomodule (Linear Coherent Light Source II, LCLS-II) was used. Furthermore, the results of the MB model were used to perform the structural verification of some critical components of the CM.

Fermilab Cryogenic Test Facilities

Fermi National Accelerator Laboratory (Fermilab) has multiple cryogenic test facilities, undertaking testing of superconducting magnets, Superconducting Radio Frequency (SRF) cavities, SRF cryomodules and other helium cryogenic components. The test areas within Fermilab include: Meson Cryogenic Test facility (Meson), Industrial Building 1 (IB-1), Heavy Assembly Building/Illinois Accelerator Research Center (HAB/IARC), New Muon Lab, (NML) and the Cryomodule Test Facility (CMTF). Meson and HAB/IARC utilize repurposed Tevatron era reciprocating engine based cryogenic refrigerator systems, whereas CMTF and IB-1 utilize gas bearing turbine based coldboxes. Each of these test areas support the various Fermilab projects and collaborations including the Linear Coherent Light Source II (LCLS-II), Proton Improvement Plan II (PIP-II), High Luminosity Large Hadron Collider (HL-LHC), and Mu2e. This paper outlines the diverse and extensive cryogenic test capabilities within Fermilab.

Development of the Vertically Polarizing Hard X-Ray Undulator Segments for the Linear Coherent Light Source Upgrade (LCLS-II) Project

Development of the Vertically Polarizing Hard X-Ray Undulator Segments for the Linear Coherent Light Source Upgrade (LCLS-II) Project

Laguerre-Gaussian and beamlet array as second generation laser heater profiles

The microbunching instability is known to be detrimental to x-ray free electron laser performance. At the Linear Coherent Light Source, the microbunching instability is suppressed with a laser heater, which increases the uncorrelated energy spread of e-beam in the injector. While the current system has been shown to improve x-ray brightness, other laser architectures could further enhance performance. In this study, we model the interaction between a laser and e-beam with arbitrary transverse profiles and examine the effect of various laser designs on the energy distribution of the electrons after the injector and laser heater, as well as their ability to suppress microbunching instability. This simulation incorporates random transverse jitter in order to reproduce physically representative operation of the Linac Coherent Light Source. We compare Gaussian and Laguerre-Gaussian modes, and explore composite beams in the form of an array of Gaussian beamlets. We conclude that the Gaussian laser profile is highly susceptible to e-beam ellipticity and random transverse jitter. The Laguerre-Gaussian profile, a mathematically ideal solution to suppressing microbunching, is less susceptible to these effects and can provide effective suppression even with a distorted e-beam, though performance can be improved by increasing stabilization. The array of beamlets presents a solution that produces consistent and smooth energy distributions with significantly less variance in heating than the Laguerre-Gaussian profile.

Ultraviolet laser transverse profile shaping for improving x-ray free electron laser performance

The photocathode rf gun is one of the most critical components in x-ray free electron lasers. The drive laser strikes the photocathode surface, which emits electrons with properties that depend on the shape of the drive laser. Most free electron lasers use photocathodes with work function in the ultraviolet, a wavelength where direct laser manipulation becomes challenging. In this paper, we present a novel application of a digital micromirror device (DMD) for the 253 nm drive laser at the Linear Coherent Light Source. Laser profile shaping is accomplished through an iterative algorithm that takes into account shaping error and efficiency. Next, we use laser shaping to control the X-ray laser output via an online optimizer, which shows improvement in FEL pulse energy. Lastly, as a preparation for electron beam shaping, we use the DMD to measure the photocathode quantum efficiency across cathode surface with an averaged laser rms spot size of $59\text{ }\text{ }\ensuremath{\mu}\mathrm{m}$. Our experiments demonstrate promising outlook of using DMD to shape ultraviolet lasers for photocathode rf guns with various applications.

High-speed fixed-target serial virus crystallography.

We report a method for serial X-ray crystallography at X-ray free-electron lasers (XFELs), which allows for full use of the current 120-Hz repetition rate of the Linear Coherent Light Source (LCLS). Using a micropatterned silicon chip in combination with the high-speed Roadrunner goniometer for sample delivery, we were able to determine the crystal structures of the picornavirus bovine enterovirus 2 (BEV2) and the cytoplasmic polyhedrosis virus type 18 polyhedrin, with total data collection times of less than 14 and 10 min, respectively. Our method requires only micrograms of sample and should therefore broaden the applicability of serial femtosecond crystallography to challenging projects for which only limited sample amounts are available. By synchronizing the sample exchange to the XFEL repetition rate, our method allows for most efficient use of the limited beam time available at XFELs and should enable a substantial increase in sample throughput at these facilities.

Crystal structure of the pristine peroxidase ferryl center and its relevance to proton-coupled electron transfer

The reaction of peroxides with peroxidases oxidizes the heme iron from Fe(III) to Fe(IV)=O and a porphyrin or aromatic side chain to a cationic radical. X-ray-generated hydrated electrons rapidly reduce Fe(IV), thereby requiring very short exposures using many crystals, and, even then, some reduction cannot be avoided. The new generation of X-ray free electron lasers capable of generating intense X-rays on the tenths of femtosecond time scale enables structure determination with no reduction or X-ray damage. Here, we report the 1.5-Å crystal structure of cytochrome c peroxidase (CCP) compound I (CmpI) using data obtained with the Stanford Linear Coherent Light Source (LCLS). This structure is consistent with previous structures. Of particular importance is the active site water structure that can mediate the proton transfer reactions required for both CmpI formation and reduction of Fe(IV)=O to Fe(III)-OH. The structures indicate that a water molecule is ideally positioned to shuttle protons between an iron-linked oxygen and the active site catalytic His. We therefore have carried out both computational and kinetic studies to probe the reduction of Fe(IV)=O. Kinetic solvent isotope experiments show that the transfer of a single proton is critical in the peroxidase rate-limiting step, which is very likely the proton-coupled reduction of Fe(IV)=O to Fe(III)-OH. We also find that the pKa of the catalytic His substantially increases in CmpI, indicating that this active site His is the source of the proton required in the reduction of Fe(IV)=O to Fe(IV)-OH.

X-ray absorption spectroscopy of iron at multimegabar pressures in laser shock experiments

Taking advantage of the new opportunities provided by x-ray free electron laser (FEL) sources when coupled to a long laser pulse as available at the Linear Coherent Light Source (LCLS), we have performed x-ray absorption near-edge spectroscopy (XANES) of laser shock compressed iron up to 420 GPa (±50) and 10 800 K (±1390). Visible diagnostics coupled with hydrodynamic simulations were used to infer the thermodynamical conditions along the Hugoniot and the release adiabat. A modification of the pre-edge feature at 7.12 keV in the XANES spectra is observed above pressures of 260 GPa along the Hugoniot. Comparing with ab initio calculations and with previous laser-heated diamond cell data, we propose that such changes in the XANES pre-edge could be a signature of molten iron. This interpretation then suggests that iron is molten at pressures and temperatures higher than 260 GPa (±29) and 5680 K (±700) along the principal Fe Hugoniot.

Ultrafast laser-induced melting and ablation studied by time-resolved diffuse X-ray scattering

Time-resolved diffuse X-ray scattering with 50 fs, 9.5 keV X-ray pulses from the Linear Coherent Light Source was used to study the structural dynamics in materials undergoing rapid melting and ablation after fs laser excitation.

The history of X-ray free-electron lasers

The successful lasing at the SLAC National Accelerator Laboratory of the Linear Coherent Light Source (LCLS), the first X-ray free-electron laser (X-ray FEL), in the wavelength range 1.5 to 15 Å, pulse duration of 60 to few femtoseconds, number of coherent photons per pulse from 1013 to 1011, is a landmark event in the development of coherent electromagnetic radiation sources. Until now electrons traversing an undulator magnet in a synchrotron radiation storage ring provided the best X-ray sources. The LCLS has set a new standard, with a peak X-ray brightness higher by ten orders of magnitudes and pulse duration shorter by three orders of magnitudes. LCLS opens a new window in the exploration of matter at the atomic and molecular scales of length and time. Taking a motion picture of chemical processes in a few femtoseconds or less, unraveling the structure and dynamics of complex molecular systems, like proteins, are some of the exciting experiments made possible by LCLS and the other X-ray FELs now being built in Europe and Asia. In this paper, we describe the history of the many theoretical, experimental and technological discoveries and innovations, starting from the 1960s and 1970s, leading to the development of LCLS.

Macromolecular crystallography at synchrotron radiation sources: current status and future developments

X-ray diffraction with synchrotron radiation (SR) has revealed the atomic structures of numerous biological macromolecules including proteins and protein complexes, nucleic acids and their protein complexes, viruses, membrane proteins and drug targets. The bright SR X-ray beam with its small divergence has made the study of weakly diffracting crystals of large biological molecules possible. The ability to tune the wavelength of the SR beam to the absorption edge of certain elements has allowed anomalous scattering to be exploited for phase determination. We review the developments at synchrotron sources and beamlines from the early days to the present time, and discuss the significance of the results in providing a deeper understanding of the biological function, the design of new therapeutic molecules and time-resolved studies of dynamic events using pump–probe techniques. Radiation damage, a problem with bright X-ray sources, has been partially alleviated by collecting data at low temperature (100 K) but work is ongoing. In the most recent development, free electron laser sources can offer a peak brightness of hard X-rays approximately 10 8 times brighter than that achieved at SR sources. We describe briefly how early experiments at FLASH and Linear Coherent Light Source have shown exciting possibilities for the future.

X-ray tests of a Pixel Array Detector for coherent x-ray imaging at the Linac Coherent Light Source

Test results are presented of a pixel array detector (PAD)developed for x-ray imaging at the Stanford Linear Coherent LightSource (LCLS). The basic module of the PAD consists of twobump-bonded chips: a reverse-biased silicon diode chip of 185 × 194 pixels, each of which is coupled by bump-bonds to acharge integrating CMOS ASIC with digitization in each pixel. TheLCLS experiment requires a high signal-to-noise ratio for detectionof single 8 keV x-rays, a pixel full-well exceeding1,000 8 keV x-rays, a frame-rate of 120 Hz, and the ability to handle the arrival of thousands ofx-rays per pixel in tens of femtoseconds. Measurements haveverified a pixel full-well value of 2,700 8 keVx-rays. Single 8 keV photon detection has been shownwith a signal-to-noise ratio of >6. Line-spread responsemeasurements confirmed charge spreading to be limited to nearestneighbor pixels. Modules still functioned after dosages up to 75 Mrad(Si) at the detector face. Work is proceeding toincorporate an array of modules into a large-area detector.

Wolfgang Kurt Hermann Panofsky

Wolfgang Kurt Hermann Panofsky

Laser spectroscopy on trapped highly-charged ions using soft x-rays from FLASH

In vast regions of the universe highly charged ions (HCI [1, 2]) are the predominant form of visible matter. Their importance extends to high-temperature terrestrial plasmas, such as those used in fusion research. Yet, accurate prediction of their electronic structure remains a challenge for theory due to the strong electromagnetic field in which the remaining bound electrons dwell. Experimental accuracy has now reached the performance limits of conventional photon spectroscopy in the soft and hard x-ray regions. In this work [3], we report on the resonant laser excitation of the 22S1/2—22P1/2 transition of the Li-like Fe22P1/223+ ion at 48.6 eV, an energy range hitherto unattainable with powerful lasers. The HCI stored in an electron beam ion trap (EBIT [4]) were resonantly excited by ultra-brilliant radiation generated at the Free electron LASer in Hamburg (FLASH [5]). While yielding a relative statistical error of only 2.2·10−5, and extending laser spectroscopy on HCI from the near ultraviolet [6] to the soft X-ray region, this novel experiment demonstrates immediate potential to push the current limits of precision by orders of magnitude. Such experiments allow to verify predictions of quantum electrodynamics (QED) in a strong field environment where perturbation theory [7, 8] fails. Future EBIT experiments at upcoming x-ray free electron lasers (X-FEL) like the Stanford Linear Coherent Light Source (LCLS) or the European X-FEL will pave the way for laser spectroscopy into the hard x-ray region.

Design of a bolometer for total-energy measurement of the linear coherent light source pulsed X-ray laser

We are developing a cryogenic bolometer to measure the total energy of the linear coherent light source (LCLS) free electron X-ray laser to be built at the Stanford Linear Accelerator Center. The laser will produce ultrabright X-ray pulses in the energy range between 0.8 and 8 keV with ∼10 12 photons per ∼200 fs pulse at a repeat interval of 8 ms, and will be accompanied by a halo of spontaneous undulator radiation. The bolometer is designed to determine the total energy of each laser pulse to within <0.1%, taking into account thermal and mechanical stress to prevent melting in the LCLS beam due to its high energy density. We propose to use a magnetoresistive Nd (1− x )Sr x MnO 3 sensor array at the metal–insulator transition, where the composition x is adjusted to produce the desired transition temperature. We discuss design considerations and material choices, and present numerical simulations of the thermal response.

Development of CMR Manganite Sensors for Energy Measurement of the Linear Coherent Light Source Free Electron Laser Xray Pulses

ABSTRACTWe are developing Colossal Magnetoresistive (CMR) manganite thin film bolometric sensors to be employed as total energy detectors for beam diagnostics of the Linear Coherent Light Source (LCLS) Free Electron Laser (FEL) (at the Stanford Linear Accelerator). LCLS is an ultra bright, ultra short coherent x-ray source whose peak brightness will exceed that of third generation x-ray sources by about ten orders of magnitude and average brightness by three orders of magnitudes. It is expected to produce 1012 x-rays per 200 fs pulse with a repeat frequency of 120 Hz through self-amplified stimulated emission. In characterizing the beam, it will be necessary to measure the total energy of the FEL pulse. The Advanced Detector Group at Lawrence Livermore Laboratory has developed a scheme for FEL total energy measurements based on bolometric detection and are collaborating with Towson University to implement such a detector using CMR manganite thin films. Here we discuss the basic scheme, results of simulations of the thermal response and the materials development efforts towards fabricating the thin film detectors.

Start-to-end simulation of self-amplified spontaneous emission free electron lasers from the gun through the undulator

It is widely appreciated that the performance of self-amplified spontaneous emission free-electron lasers (FELs) depends critically on the properties of the drive beam. In view of this, a multi-laboratory collaboration has explored methods and software tools for integrated simulation of the photoinjector, linear accelerator, bunch compressor, and FEL. Rather than create a single code to handle such a system, our goal has been a robust, generic solution wherein pre-existing simulation codes are used sequentially. We have standardized on the use of Argonne National Laboratory's Self-Describing Data Sets file protocol for transfer of data among codes. The simulation codes used are PARMELA, elegant, and GENESIS. We describe the software methodology and its advantages, then provide examples involving Argonne's Low-Energy Undulator Test Line and Stanford Linear Accelerator Center's Linac Coherent Light Source. We also indicate possible future direction of this work.