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DOE OSTI2012

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 {angstrom}, pulse duration of 60 to few femtoseconds, number of coherent photons per pulse from 10{sup 13} to 10{sup 11}, 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.

43 PARTICLE ACCELERATORS↗

DOE OSTI2010

Ultrafast probing of the x-ray-induced lattice and electron dynamics in graphite at atomic-resolution

We used LCLS pulses to excite thin-film and bulk graphite with various different microstructures, and probed the ultrafast ion and electron dynamics through Bragg and x-ray Thomson scattering (XRTS). We pioneered XRTS at LCLS, making this technique viable for other users. We demonstrated for the first time that the LCLS can be used to characterize warm-dense-matter through Bragg and x-ray Thomson scattering. The warm-dense-matter conditions were created using the LCLS beam. Representative examples of the results are shown in the Figure above. In our experiment, we utilized simultaneously both Bragg and two Thomson spectrometers. The Bragg measurements as a function of x-ray fluence and pulse length allows us to characterize the onset of atomic motion at 2 keV with the highest resolution to date. The Bragg detector was positioned in back-reflection, providing us access to scattering data with large scattering vectors (nearly 4{pi}/{lambda}). We found a clear difference between the atomic dynamics for 70 and 300 fs pulses, and we are currently in the process of comparing these results to our models. The outcome of this comparison will have important consequences for ultrafast diffractive imaging, for which it is still not clear if atomic resolution can truly be achieved. The backward x-ray Thomson scattering data suggests that the average graphite temperature and ionization was 10 eV and 1.0, respectively, which agrees with our models. In the forward scattering data, we observed an inelastic feature in the Thomson spectrum that our models currently do not reproduce, so there is food for thought. We are in the process of writing these results up. Depending on if we can combine the Bragg and Thomson data or not, we plan to publish them in a single paper (e.g. Nature or Science) or as two separate papers (e.g. two Phys. Rev. Lett.). We will present the first analysis of the results at the APS Plasma Meeting in November 2010. We had a fantastic experience performing our experiment at the LCLS, and we are grateful to the beamline scientists and all the support personnel for enabling this experiment. A major hurdle was the very short transition time of two days, which despite all our preparations did not give us sufficient time to test the full system before the start of the beam time. We further were not able to make optimal use of the beam time since we had to exchange samples in the middle of the 36-hours shift. An additional 12-hours break could have avoided this. Finally, our experiment would have benefitted from the best possible focus, but 5 shifts do not allow performing the experiment while fine-tuning the focusing optics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

A Flat Analyzer Polycapillary Spectrometer for X-ray Absorption Spectroscopy of Dilute Transition Metals at X-ray-Free Electron Lasers

X-ray absorption spectroscopy (XAS) coupled with highly intense pulses from an X-ray-free electron laser (XFEL) can be used to track ultrafast chemical dynamics. Nonetheless, measurements for dilute samples (≤1 mM) have been exceptionally challenging, as scattering background signals dominate over the sample’s X-ray fluorescence. We show that femtosecond time-resolved XAS measurements of sub-millimolar transition metal solutions are now possible at the Linac Coherent Light Source (LCLS) using a high-throughput polycapillary XAS spectrometer, designed, developed, and commissioned at LCLS and the Stanford Synchrotron Radiation Lightsource (SSRL). The instrument integrates three polycapillary optics that collect and collimate X-ray fluorescence emitted from the interaction point with a high solid angle. X-ray collimated fluorescence is then selectively diffracted by coupled graphite analyzer crystals. As a result, the contribution of scattered photons is suppressed. Experiments at the Pt L 3 -edge on 0.1 mM aqueous K 2 PtCl 6 (delivered via a 100 μm liquid jet) were successfully performed in the laser pump X-ray probe configuration at the LCLS XCS and XPP instruments. We report the transient spectra of hexachloroplatinate within the first 10 ps after a 266 nm photoexcitation. We observed a short-lived reduced intermediate (≈2 ps). The polycapillary X-ray spectrometer at LCLS now enables the efficient study of the dynamics of ultradilute transition metals in solution. This capability opens the door to investigating plasmonic systems, photocatalysts, enzymes, and other scarce and dilute samples.

LCLS↗

DOE OSTI2025

A multi-scale cognitive interaction model of instrument operations at the Linac Coherent Light Source

The Linac Coherent Light Source (LCLS) is the world’s first x-ray free electron laser. It is a scientific user facility operated by the SLAC National Accelerator Laboratory, at Stanford, for the U.S. Department of Energy. As beam time at LCLS is extremely valuable and limited, experimental efficiency—getting the most high quality data in the least time—is critical. Our overall project employs cognitive engineering methodologies with the goal of improving experimental efficiency and increasing scientific productivity at LCLS by refining experimental interfaces and workflows, simplifying tasks, reducing errors, and improving operator safety and stress. Here, in this study, we describe a multi-agent, multi-scale computational cognitive interaction model of instrument operations at LCLS. Our model simulates the aspects of human cognition at multiple cognitive and temporal scales, ranging from seconds to hours, and among agents playing multiple roles, including instrument operator, real time data analyst, and experiment manager. The model can roughly predict impacts stemming from proposed changes to operational interfaces and workflows. Example results demonstrate the model’s potential in guiding modifications to improve operational efficiency. We discuss the implications of our effort for cognitive engineering in complex experimental settings and outline future directions for research. The model is open source, and the videos of the supplementary material provide extensive detail.

47 OTHER INSTRUMENTATION↗

DOE OSTI2013

Radiation Protection Aspects in the Design of the Linac Coherent Light Source II

Since 2009, the Linac Coherent Light Source at the SLAC National Accelerator Laboratory produces ultra-fast, ultra-bright X-ray pulses with which atoms and molecules can be visualized as they move, hence revealing the mechanics of chemistry and revolutionizing the research in fields ranging from biology to energy sciences. LCLS-II is a sister vicinal facility with new features that will be soon constructed to address the surging demand of FEL beams. In this paper we summarize the radiation protection scheme for LCLS-II and we describe diverse challenges and the adopted solutions. In particular we present the access modes of LCLS-II that allow simultaneous operation with LCLS. Monte Carlo simulations have been used to design beam components like stoppers and to define the thickness of walls. Also, by carefully analyzing the contributors to the residual dose, the shielding of the main dumps has been optimized to meet engineering constraints while allowing access after short cool down.

43 PARTICLE ACCELERATORS↗

DOE OSTI2014

Femtosecond timing distribution and control for next generation accelerators and light sources

Femtosecond Timing Distribution At LCLS Free-electron-lasers (FEL) have the capability of producing high photon flux from the IR to the hard x-ray wavelength range and to emit femtosecond and eventually even attosecond pulses. This makes them an ideal tool for fundamental as well as applied re-search. Timing precision at the Stanford Linear Coherent Light Source (LCLS) between the x-ray FEL (XFEL) and ultrafast optical lasers is currently no better than 100 fs RMS. Ideally this precision should be much better and could be limited only by the x-ray pulse duration, which can be as short as a few femtoseconds. An increasing variety of science problems involving electron and nuclear dynamics in chemical and material systems will become accessible as the timing improves to a few femtoseconds. Advanced methods of electron beam conditioning or pulse injection could allow the FEL to achieve pulse durations less than one femtosecond. The objective of the work described in this proposal is to set up an optical timing distribution system based on mode locked Erbium doped fiber lasers at LCLS facility to improve the timing precision in the facility and allow time stamping with a 10 fs precision. The primary commercial applications for optical timing distributions systems are seen in the worldwide accelerator facilities and next generation light sources community. It is reasonable to expect that at least three major XFELs will be built in the next decade. In addition there will be up to 10 smaller machines, such as FERMI in Italy and Maxlab in Sweden, plus the market for upgrading already existing facilities like Jefferson Lab. The total market is estimated to be on the order of a 100 Million US Dollars. The company owns the exclusive rights to the IP covering the technology enabling sub-10 fs synchronization systems. Testing this technology, which has set records in a lab environment, at LCLS, hence in a real world scenario, is an important corner stone of bringing the technology to market.

43 PARTICLE ACCELERATORS↗

DOE OSTI2013

SLAC All Access: Atomic, Molecular and Optical Science Instrument

John Bozek, a staff scientist at SLAC's Linac Coherent Light Source (LCLS) X-ray laser who manages the LCLS Soft X-ray Department, takes us behind the scenes at the Atomic, Molecular and Optical Science (AMO) instrument, the first of six experimental stations now operating at LCLS. Samples used in AMO experiments include atoms, molecules, clusters, and nanoscale objects such as protein crystals or viruses. Science performed at AMO includes fundamental studies of light-matter interactions in the extreme X-ray intensity of the LCLS pules, time-resolved studies of increasingly charged states of atoms and molecules, X-ray diffraction imaging of nanocrystals, and single-shot imaging of a variety of objects.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Sixth user workshop on high-power lasers at the linac coherent light source

The international user workshop on High-Power Lasers at the Linac Coherent Light Source (LCLS) was held at SLAC National Accelerator Laboratory (SLAC) in Menlo Park, CA on September 25-26, 2018. More than 100 scientists attended the workshop, which focused on recent experiments and developments at the LCLS – Matter in Extreme Conditions (MEC) end station and, more generally, the scientific frontiers that can be explored using the combination of highpower lasers and the LCLS hard X-ray free electron laser (XFEL). This workshop was the sixth annual meeting in a series that has promoted information exchange between users and has provided recommendations on capability upgrades at LCLS-MEC.

47 OTHER INSTRUMENTATION↗

DOE OSTI2010

Heteroepitaxy of Nd{sub 0.67}Sr{sub 0.33}MnO{sub 3} on silicon for bolometric x-ray detector application

We have recently reported the design concept and sensor fabrication for a novel bolometric x-ray detector based on a rare earth manganite material for application as a total energy monitor for the Linac Coherent Light Source (LCLS) free electron laser at the Stanford Linear Accelerator Center (SLAC). The detector employs epitaxial thin films of Nd{sub 0.67}Sr{sub 0.33}MnO{sub 3} grown on Si by pulsed laser deposition. In this paper we report details of the fabrication of the actual detector, its response characteristics under photon illumination from LCLS, and improvements in the growth scheme of the sensor material on Si using a buffer/template layer scheme that employs yttria-stabilized zirconia, cerium oxide (CeO{sub 2}), and bismuth titanate (Bi{sub 4}Ti{sub 3}O{sub 12}). The thermal sensor response changes linearly with the energy of an optical calibration laser as expected, and the signals from optical and x-ray pulses at LCLS are very similar, thereby validating the design concept. To the best of our knowledge, the LCLS detector application reported here is the first practical use of colossal magnetoresistive manganite bolometers.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2019

Performance of ePix10K, a high dynamic range, gain auto-ranging pixel detector for FELs

ePix10K is a hybrid pixel detector developed at SLAC for demanding free-electron laser (FEL) applications, providing an ultrahigh dynamic range (245 eV to 88 MeV) through gain auto-ranging. It has three gain modes (high, medium and low) and two auto-ranging modes (high-to-low and medium-to-low). The first ePix10K cameras are built around modules consisting of a sensor flip-chip bonded to 4 ASICs, resulting in 352 × 384 pixels of 100 µm x 100 µm each. We present results from extensive testing of three ePix10K cameras with FEL beams at LCLS, resulting in a measured noise floor of 245 eV rms, or 67 e - equivalent noise charge (ENC), and a range of 11 000 photons at 8 keV. We demonstrate the linearity of the response in various gain combinations: fixed high, fixed medium, fixed low, auto-ranging high to low, and auto-ranging medium-to-low, while maintaining a low noise (well within the counting statistics), a very low cross-talk, perfect saturation response at fluxes up to 900 times the maximum range, and acquisition rates of up to 480 Hz. Finally, we present examples of high dynamic range x-ray imaging spanning more than 4 orders of magnitude dynamic range (from a single photon to 11 000 photons/pixel/pulse at 8 keV). Achieving this high performance with only one auto-ranging switch leads to relatively simple calibration and reconstruction procedures. The low noise levels allow usage with long integration times at non-FEL sources. ePix10K cameras leverage the advantages of hybrid pixel detectors with high production yield and good availability, minimize development complexity through sharing the hardware, software and DAQ development with all other versions of ePix cameras, while providing an upgrade path to 5 kHz, 25 kHz and 100 kHz in three steps over the next few years, matching the LCLS-II requirements.

47 OTHER INSTRUMENTATION↗

DOE OSTI2015

The Linac Coherent Light Source

The Linac Coherent Light Source (LCLS) at the SLAC National Accelerator Laboratory was the first hard X-ray free-electron laser (FEL) to operate as a user facility. After five years of operation, LCLS is now a mature FEL user facility. Our personal views about opportunities and challenges inherent to these unique light sources are discussed.

43 PARTICLE ACCELERATORS↗

DOE OSTI2010

First Measurements and Results With a Stretched Wire Test Setup

The LINAC Coherent Light Source [LCLS] is a free electron laser, designed to produce high brilliant X-ray beams using Self Amplified Spontaneous Emission [SASE]. Due to the physics of SASE, the electron beam has to be held very precisely on the same trajectory as the X-ray light beam generated by the undulator magnets. To optimize the SASE output, trajectory deviations between both beams have to be minimized to a few micrometers along the entire undulator section and held stable over the time period between beam-based-alignment processes. Consequently, extremely high position stability of all magnets in the undulator section is required to operate the LCLS successfully. The knowledge of any magnet movement exceeding few micrometers during periods of several weeks is essential for efficient X-ray generation. A well known principle of monitoring transverse component positions along beam lines is the application of stretched wires, associated with suitable wire position sensors and electronics. The particular challenge at LCLS is the required wire system performance in conjunction with the length of the undulator section and the large number of monitors. Verification of system stability and resolution under real conditions is the primary goal of this test setup. A stretched wire test setup has been implemented to gain experience for the final design of a wire system, which will meet the position monitoring requirements in the LCLS undulator section. The report briefly introduces the system's architecture and describes first measurements and results.

43 PARTICLE ACCELERATORS↗

DOE OSTI2011

Parameter Selection and Longitudinal Phase Space Simulation for a Single Stage X-Band FEL Driver at 250 MeV

Hard x-ray Free electron lasers (FEL) are being built or proposed at many accelerator laboratories as it supports wide range of applications in many aspects. Most of the hard x-ray FEL design is similar with the SLAC Linac Coherent Light Source (LCLS), which features a two (or multiple) stage bunch compression. For the first stage of the bunch compression, usually the beam is accelerated in a lower-frequency RF section (such as S-band for LCLS), and then the longitudinal phase space is linearized by a higher-frequency RF section (harmonic RF, such as X-band for LCLS). In this paper, a compact hard x-ray FEL design is proposed, which is based on X-band RF acceleration and eliminating the need of a harmonic RF. The parameter selection and relation is discussed, and the longitudinal phase space simulation is presented. The FEL coherence condition of the electron beam in the undulators requires a large charge density, a small emittance and small energy spread. The RMS electron bunch length from the injector is in the ps scale, with a bunch charge in the range of hundreds pC to several nC, which means that the current is roughly 0.1 kA. According to the requirement from soft x-ray lasing and hard x-ray lasing, a peak current of 1 kA and 3 kA is needed respectively. Thus the bunch has to be compressed. Usually a two stage bunch compression or multipole stage bunch compression is adopted. The z-correlated energy chirp is normally established by letting the beam pass through a section of RF cavities, with a RF phase off crest. As stated above, S-band RF (3 GHz) acceleration could be applied in this section. Due to the nature of RF acceleration wave, the chirp on the bunch is not linear, but has the RF curvature on it. In order to linearize the energy chirp, a harmonic RF section with higher frequency is needed. For LCLS a short X-band RF section (12 GHz) is used which is a fourth order harmonic. The linearized bunch is then passing by a dispersive region, in which the particles with different energy have different path length. A four dipole chicane is the natural choice for the dispersive region. As the example illustrated in Figure 1, the head of the bunch has smaller energy, and gets a stronger bending kick from the dipole magnet, then has a longer path length in the dispersive region. Similarly, the tail of the bunch has larger energy and shorter path length in the dispersive region. At the exit of the dispersive region, the relative longitudinal position of the head and tail of the bunch both move to the center of the bunch, so the bunch length will be shorter.

43 PARTICLE ACCELERATORS↗

DOE OSTI2012

X-Ray Emission Spectrometer Design with Single-Shot Pump-Probe and Resonant Excitation Capabilities

Core-level spectroscopy in the soft X-ray regime is a powerful tool for the study of chemical bonding processes. The ultrafast, ultrabright X-ray pulses generated by the Linac Coherent Light Source (LCLS) allow these reactions to be studied in greater detail than ever before. In this study, we investigated a conceptual design of a spectrometer for the LCLS with imaging in the non-dispersive direction. This would allow single-shot collection of X-ray emission spectroscopy (XES) measurements with varying laser pump X-ray probe delay or a variation of incoming X-ray energy over the illuminated area of the sample. Ray-tracing simulations were used to demonstrate how the components of the spectrometer affect its performance, allowing a determination of the optimal final design. These simulations showed that the spectrometer's non-dispersive focusing is extremely sensitive to the size of the sample footprint; the spectrometer is not able to image a footprint width larger than one millimeter with the required resolution. This is compatible with a single shot scheme that maps out the laser pump X-ray probe delay in the non-dispersive direction as well as resonant XES applications at normal incidence. However, the current capabilities of the Soft X-Ray (SXR) beamline at the LCLS do not produce the required energy range in a small enough sample footprint, hindering the single shot resonant XES application at SXR for chemical dynamics studies at surfaces. If an upgraded or future beamline at LCLS is developed with lower monochromator energy dispersion the width can be made small enough at the required energy range to be imaged by this spectrometer design.

43 PARTICLE ACCELERATORS↗

DOE OSTI2010

Algorithms for Diffractive Microscopy (Final Report)

The phenomenal coherence and brightness of x-ray free-electron laser light sources, such as the LCLS at SLAC, have the potential of revolutionizing the investigation of structure and dynamics in the nano-domain. However, this potential will go unrealized without a similar revolution in the way the data are analyzed. While it is true that the ambitious design parameters of the LCLS have been achieved, the prospects of realizing the most publicized goal of this instrument — the imaging of individual bio-particles — remains daunting. Even with 10 12 photons per x-ray pulse, the feebleness of the scattering process represents a fundamental limit that no amount of engineering ingenuity can overcome. Large bio-molecules will scatter on the order of only 10 3 photons per pulse into a detector with 106 pixels; the diffraction “images” will be virtually indistinguishable from noise. Averaging such noisy signals over many pulses is not possible because the particle orientation cannot be controlled. Each noisy laser snapshot is thus confounded by the unknown viewpoint of the particle. Given the heavy DOE investment in LCLS and the profound technical challenges facing single-particle imaging, the final two years of this project have concentrated on this effort. We are happy to report that we succeeded in developing an extremely efficient algorithm that can reconstruct the shapes of particles at even the extremes of noise expected in future LCLS experiments with single bio-particles. Since this is the most important outcome of this project, the major part of this report documents this accomplishment. The theoretical techniques that were developed for the single-particle imaging project have proved useful in other imaging problems that are described at the end of the report.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2010

Set Up and Test Results for a Vibrating Wire System for Quadrupole Fiducialization

Quadrupoles will be placed between the undulator segments in LCLS to keep the electron beam focused as it passes through. The quadrupoles will be assembled with their respective undulator segments prior to being placed into the tunnel. Beam alignment will be used to center the quadrupoles, along with the corresponding undulators, on the beam. If there is any displacement between the undulator and the quadrupole axes in the assemblies, the beam will deviate from the undulator axis. If it deviates by more than 80{micro}m in vertical or 140{micro}m in horizontal directions, the undulator will not perform as required by LCLS. This error is divided between three sources: undulator axis fiducialization, quadrupole magnetic axis fiducialization, and assembly of the two parts. In particular, it was calculated that the quadrupole needs to be fiducialized to within 25{micro}m in both vertical and horizontal directions. A previous study suggested using a vibrating wire system for finding the magnetic axis of a quadrupole. The study showed that the method has high sensitivity (up to 1{micro}m) and laid out guidelines for constructing it. There are 3 steps in fiducializing the quadrupole with the vibrating wire system. They are positioning the wire at the magnet center (step 1), finding the wire with position detectors (step 2), and finding the quadrupole tooling ball positions relative to the position detector tooling balls (step 3). The following break up of error was suggested for the fiducialization steps: 10{micro}m for step 1 (finding the center), 20{micro}m for step 2 (finding the wire), and 10{micro}m for step 3 (tooling ball measurements). The purpose of this study is to investigate whether the vibrating wire system meets the requirements for LCLS. In particular, if it can reliably fiducialize a quadrupole magnetic center to within 25{micro}m in both vertical and horizontal directions. The behavior of individual system components is compared to the expected performance. A vibrating wire system was constructed to fiducialize the quadrupoles between undulator segments in the LCLS. This note studies the ability of the system to fulfill the fiducialization requirements.

43 PARTICLE ACCELERATORS↗

DOE OSTI2010

Set Up and Test Results for a Vibrating Wire System for Quadrupole Fiducialization

43 PARTICLE ACCELERATORS↗

DOE OSTI2017

The Linac Coherent Light Source: Recent Developments and Future Plans

The development of X-ray free-electron lasers (XFELs) has launched a new era in X-ray science by providing ultrafast coherent X-ray pulses with a peak brightness that is approximately one billion times higher than previous X-ray sources. The Linac Coherent Light Source (LCLS) facility at the SLAC National Accelerator Laboratory, the world’s first hard X-ray FEL, has already demonstrated a tremendous scientific impact across broad areas of science. Here in this paper, a few of the more recent representative highlights from LCLS are presented in the areas of atomic, molecular, and optical science; chemistry; condensed matter physics; matter in extreme conditions; and biology. This paper also outlines the near term upgrade (LCLS-II) and motivating science opportunities for ultrafast X-rays in the 0.25–5 keV range at repetition rates up to 1 MHz. Future plans to extend the X-ray energy reach to beyond 13 keV (<1 Å) at high repetition rate (LCLS-II-HE) are envisioned, motivated by compelling new science of structural dynamics at the atomic scale.

47 OTHER INSTRUMENTATION↗