Extension of SASE bandwidth up to 2% as a way to increase the efficiency of protein structure determination by x-ray nanocrystallography at the European XFEL
Femtosecond x-ray nanocrystallography exploiting XFEL radiation is an emerging method for protein structure determination using crystals with sizes ranging from a few tens to a few hundreds nanometers. Crystals are randomly hit by XFEL pulses, producing diffraction patterns at unknown orientations. One can determine these orientations by studying the diffraction patterns themselves, i.e. by indexing the Bragg peaks. The number of indexed individual images and the SASE bandwidth are inherently linked, because increasing the number of Bragg peaks per individual image requires increasing the bandwidth of the spectrum. This calls for a few percent SASE bandwidth, resulting in an increase in the number of indexed images at the same number of hits. Based on start-to-end simulations for the baseline of the European XFEL, we demonstrate here that it is possible to achieve up to a tenfold increase in SASE bandwidth, compared with the nominal mode of operation. This provides a route for further increasing the efficiency of protein structure determination at the European XFEL. We illustrate this concept with simulations of lysozyme nanocrystals.
The magnetic gap of the baseline XFEL undulators can be varied mechanically for wavelength tuning. In particular, the wavelength range 0.1 nm - 0.4 nm can be covered by operating the European XFEL with the SASE2 undulator. The length of the SASE2 undulator (256.2 m) is sufficient to independently generate three pulses of different radiation wavelengths at saturation. Normally, if a SASE FEL operates in saturation, the quality of the electron beam is too bad for generation of SASE radiation in the subsequent part of undulator which is resonant at a few times longer wavelength. The new method of…
The output SASE characteristics of the baseline European XFEL, recently used in the TDRs of scientific instruments and X-ray optics, have been previously optimized assuming uniform undulators without considering the potential of undulator tapering in the SASE regime. Here we demonstrate that the performance of European XFEL sources can be significantly improved without additional hardware. The procedure simply consists in the optimization of the undulator gap configuration for each X-ray beamline. Here we provide a comprehensive description of the soft X-ray photon beam properties as a functio…
We demonstrate that the output radiation characteristics of the European XFEL sources at nominal operation point can be easily made significantly better than what is currently reported in the TDRs of scientific instruments and X-ray optics. In fact, the output SASE characteristics of the baseline European XFEL have been previously optimized assuming uniform undulators at a nominal operating point of 5 kA peak current, without considering the potential of udulator tapering in the SASE regime. In order to illustrate this point, we analyze the case of an electron bunch with nominal parameters. Ba…
The purified SASE (pSASE) undulator configuration recently proposed at SLAC promises an increase in the output spectral density of XFELs. In this article we study a straightforward implementation of this configuration for the soft x-ray beamline at the European XFEL. A few undulator cells, resonant at a subharmonic of the FEL radiation, are used in the middle of the exponential regime to amplify the radiation, while simultaneously reducing the FEL bandwidth. Based on start-to-end simulations, we show that with the proposed configuration the spectral density in the photon energy range between 1…
The usage of x-ray free electron laser (XFEL) in femtosecond nanocrystallography involves sequential illumination of many small crystals of arbitrary orientation. Hence a wide radiation bandwidth will be useful in order to obtain and to index a larger number of Bragg peaks used for determination of the crystal orientation. Considering the baseline configuration of the European XFEL in Hamburg, and based on beam dynamics simulations, we demonstrate here that the usage of corrugated structures allows for a considerable increase in radiation bandwidth. Data collection with a 3% bandwidth, a few m…
We describe statistical and coherence properties of the radiation from x-ray free electron lasers (XFEL) operating in the post-saturation regime. We consider practical case of the SASE3 FEL at the European XFEL. We perform comparison of the main characteristics of the X-ray FEL operating in the post-saturation regime with and without undulator tapering: efficiency, coherence time and degree of transverse coherence.
XFELs provide X-ray pulses with unprecedented peak brightness and ultrashort duration. They are usually driven by planar undulators, meaning that the output radiation is linearly polarized. For many experimental applications, however, polarization control is critical: besides the ability to produce linearly polarized radiation, one often needs the possibility of generating circularly polarized radiation with a high, stable degree of polarization. This may be achieved by using a first part of the XFEL undulator to produce bunching and then, by propagating the the bunched beam through an "afterb…
Output characteristics of the European XFEL have been previously studied assuming an operation point at 5 kA peak current. In this paper we explore the possibility to go well beyond such nominal peak current level. In order to illustrate the potential of the European XFEL accelerator complex we consider a bunch with 0.25 nC charge, compressed up to a peak current of 45 kA. An advantage of operating at such high peak current is the increase of the x-ray output peak power without any modification to the baseline design. Based on start-to-end simulations, we demonstrate that such high peak curren…
This note presents optimization results for an injector with a super-conducting gun for the cw operation of the European XFEL, the corresponding start-to-end simulation calculations for the beam transport to the undulators and SASE calculations of the X-ray intensities for the achievable photon energies. The optimizations for an injector with a super-conducting gun are done mainly for an already experimentally shown accelerating gradient of 40 MV/m. Different working points with respect to transverse emittance and bunch length are chosen to see whether the lower transverse emittance of the lon…
X-ray Free Electron Lasers (XFELs) have been proven to generate short and powerful radiation pulses allowing for a wide class of novel experiments. If an XFEL facility supports the generation of two X-ray pulses with different wavelengths and controllable delay, the range of possible experiments is broadened even further to include X-ray-pump/X-ray-probe applications. In this work we discuss the possibility of applying a simple and cost-effective method for producing two-color pulses at the SASE3 soft X-ray beamline of the European XFEL. The technique is based on the installation of a magnetic…
The design of a THz edge radiation source for the European XFEL is presented. We consider generation of THz radiation from the spent electron beam downstream of the SASE2 undulator in the electron beam dump area. In this way, the THz output must propagate at least for 250 meters through the photon beam tunnel to the experimental hall to reach the SASE2 X-ray hutches. We propose to use an open beam waveguide such as an iris guide as transmission line. In order to efficiently couple radiation into the iris transmission line, generation of the THz radiation pulse can be performed directly within …
The baseline design of present XFEL projects only considers the production of a single photon beam at fixed wavelength from each baseline undulator. At variance, the scheme described in this paper considers the simultaneous production of high intensity SASE FEL radiation at three different wavelengths. We present a feasibility study of our scheme, and we make exemplifications with parameters of the baseline SASE2 line of the European XFEL operating in simultaneous mode at 0.05 nm, 0.15 nm and 0.4 nm. Our technique for generating the two colors at 0.05 nm and 0.15 nm is based in essence on a "f…
Specifications of the European XFEL cover a range of wavelengths down to 0.1 nm. The baseline design of the European XFEL assumes standard (SASE) FEL mode for production of radiation i.e. only one photon beam at one fixed wavelength from each baseline undulator with tunable gap. Recent developments in the field of FEL physics and technology form a reliable basis for an extensions of the mode of operation of XFEL facilities. This paper explores how the wavelength of the output radiation can be decreased well beyond the European XFEL design, down to 0.05 nm. In the proposed scheme, which is base…
The SASE3 soft X-ray beamline at the European XFEL has been designed and built to provide experiments with pink or monochromatic beam in the photon energy range 250 eV - 3000 eV. Here, we focus on the monochromatic operation of the SASE3 beamline and report on design and performance of the SASE3 grating monochromator. The unique capability of an FEL source to produce short femtosecond pulses of high degree of coherence challenges the monochromator design by a demand to control both photon energy and temporal resolution. The aim to transport close to transform-limited pulses poses very high dem…
The possibility of producing highly circularly polarized X-ray radiation, especially in the soft X-ray region, is an important asset at XFELs. However, the baseline of the European XFEL, including the soft X-ray SASE3 line, foresees planar undulators only. The lowest-risk strategy for implementing polarization control at SASE3 involves adding an APPLE II-type undulator at the end of the planar undulator, to exploit the microbunching from the baseline FEL. 5m-long APPLE II undulators are standard devices at synchrotrons. However, the choice of a short helical radiator leads to the problem of ba…
Hanbury Brown and Twiss interferometry experiment based on second-order correlations was performed at PAL-XFEL facility. The statistical properties of the X-ray radiation were studied within this experiment. Measurements were performed at NCI beamline at 10 keV photon energy in various operation conditions: Self-Amplified Spontaneous Emission (SASE), SASE with a monochromator, and self-seeding regimes at 120 pC, 180 pC, and 200 pC electron bunch charge, respectively. Statistical analysis showed short average pulse duration from 6 fs to 9 fs depending on operation conditions. A high spatial deg…
Recent successful lasing of the Linac Coherent Light Source (LCLS) in the hard x-ray regime and the experimental demonstration of a possibility to produce low-charge bunches with ultra-small normalized emittance have lead to the discussions on optimistic scenarios of operation of the European XFEL. In this paper we consider new options that make use of low-emittance beams, a relatively high beam energy, tunable-gap undulators, and a multi-bunch capability of this facility. We study the possibility of operation of a spontaneous radiator (combining two of them, U1 and U2, in one beamline) in the…
This paper describes a scheme for pump-probe experiments that can be performed at LCLS and at the European XFEL and determines what additional hardware development will be required to bring these experiments to fruition. It is proposed to derive both pump and probe pulses from the same electron bunch, but from different parts of the tunable-gap baseline undulator. This eliminates the need for synchronization and cancels jitter problems. The method has the further advantage to make a wide frequency range accessible at high peak-power and high repetition-rate. An important feature of the propose…
This paper discusses the potential for enhancing the capabilities of the European FEL in the soft X-ray regime. A high longitudinal coherence will be the key to such performance upgrade. In order to reach this goal we study a very compact soft X-ray self-seeding scheme originally designed at SLAC [1,2]. The scheme is based on a grating monochromator, and can be straightforwardly installed in the SASE3 undulator beamline at the European XFEL. For the European XFEL fully-coherent soft X-ray pulses are particularly valuable since they naturally support the extraction of more FEL power than at sat…
This paper describes a novel single-bunch self-seeding scheme for generating highly monochromatic X-rays from a baseline XFEL undulator. Previous schemes made use of a four-crystal fixed-exit monochromator in Bragg geometry. In such monochromator the X-ray pulse acquires a cm-long path delay, which must be compensated. For a single-bunch self-seeding scheme this requires a long electron beam bypass, implying modifications of the baseline undulator configuration. To avoid this problem, a double bunch self-seeding scheme based on a special photoinjector setup was recently proposed. At variance, …
In this article we derive longitudinal impedance and wake function for an undulator setup with arbitrary undulator parameter, taking into account a finite transverse size of the electron bunch. Earlier studies considered a line density-distribution of electrons instead. We focus our attention on the long-wavelength asymptote (compared with resonance wavelength), at large distance of the electron bunch from the undulator entrance compared to the overtaking length, and for large vacuum-chamber size compared to the typical transverse size of the field. These restrictions define a parameter region…
In recent years X-ray Free Electron Lasers (XFELs) proved to be unmatched sources of ultrashort pulses of spatially coherent quasimonochromatic X-ray radiation. Diagnostics of XFEL emission properties, in particular pulse duration, spectrum and temporal profile is extremely important in order to analyze the experimental results. In this paper we propose a cost-effective method to examine these properties of Self-Amplified Spontaneous Emission (SASE) pulses. It only requires an ensemble of measured SASE spectra and provides the temporal autocorrelation of the ensemble-averaged Wigner distributi…
One goal of XFEL facilities is the production of narrow bandwidth X-ray radiation. The self-seeding scheme was proposed to obtain a bandwidth narrower than that achievable with conventional X-ray SASE FELs. A self-seeded FEL is composed of two undulators separated by a monochromator and an electron beam bypass that must compensate for the path delay of X-rays in the monochromator. This leads to a long bypass, with a length in the order of 40-60 m, which requires modifications of the baseline undulator configuration. As an attempt to get around this obstacle, together with a study of the self-s…
The Single Particles, Clusters and Biomolecules (SPB) instrument at the European XFEL is located behind the SASE1 undulator, and aims to support imaging and structure determination of biological specimen between about 0.1 micrometer and 1 micrometer size. The instrument is designed to work at photon energies from 3 keV up to 16 keV. This wide operation range is a cause for challenges to the focusing optics. In particular, a long propagation distance of about 900 m between x-ray source and sample leads to a large lateral photon beam size at the optics. The beam divergence is the most important …
Techniques like inelastic X-ray scattering (IXS) and nuclear resonance scattering (NRS) are currently limited by the photon flux available at X-ray sources. At $14.4$ keV, third generation synchrotron radiation sources produce a maximum of $10^{10}$ photons per second in a meV bandwidth. In this work we discuss about the possibility of increasing this flux a thousand-fold by exploiting high repetition rate self-seeded pulses at the European XFEL. Here we report on a feasibility study for an optimized configuration of the SASE2 beamline at the European XFEL which combines self-seeding and undul…
Self-seeding is a promising approach to significantly narrow the SASE bandwidth of XFELs to produce nearly transform-limited pulses. The implementation of this method in the soft X-ray wavelength range necessarily involves gratings as dispersive elements. We study a very compact self-seeding scheme with a grating monochromator originally designed at SLAC, which can be straightforwardly installed in the SASE3 type undulator beamline at the European XFEL. The monochromator design is based on a toroidal VLS grating working at a fixed incidence angle mounting without entrance slit. It covers the s…
We propose a use of the self-seeding scheme with single crystal monochromator to produce high power, fully-coherent pulses for applications at a dedicated bio-imaging beamline at the European X-ray FEL in the photon energy range between 3.5 keV and 5 keV. We exploit the C(111) Bragg reflection (pi-polarization) in diamond crystals with a thickness of 0.1 mm, and we show that, by tapering the 40 cells of the SASE3 type undulator the FEL power can reach up to 2 TW in the entire photon energy range. The present design assumes the use of a nominal electron bunch with charge 0.1 nC at nominal elect…
An important goal for any advanced X-ray FEL is an option for providing Fourier-limited X-ray pulses. In this way, no monochromator is needed in the experimental hall. Self-seeding is a promising approach to significantly narrow the SASE bandwidth to produce nearly transform-limited pulses. These are important for many experiments including 3D diffraction imaging. We discuss the implementation of a single-crystal self-seeding scheme in the hard X-ray lines of the European XFEL. For this facility, transform-limited pulses are particularly valuable since they naturally support the extraction of …
Oscillators are at the heart of optical lasers, providing stable transform limited pulses. In contrast, X-ray free electron lasers use self-amplified spontaneous emission (SASE), resulting in large stochastic intensity and spectral fluctuations. Amplified spontaneous emission (ASE) of the $Kα_1$ line has been recently observed for Ne gas, Cu compounds and Mn solutions at the LCLS and SACLA X-ray free electron lasers (XFELs), using an X-ray SASE pulse as a pump to create population inversion. Here we describe the physics and realization of an X-ray laser oscillator (XLO) based on periodically p…
The most promising way to increase the output power of an X-ray FEL (XFEL) is by tapering the magnetic field of the undulator. Also, significant increase in power is achievable by starting the FEL process from a monochromatic seed rather than from noise. This report proposes to make use of a cascade self-seeding scheme with wake monochromators in a tunable-gap baseline undulator at the European XFEL to create a source capable of delivering coherent radiation of unprecedented characteristics at hard X-ray wavelengths. Compared with SASE X-ray FEL parameters, the radiation from the new source ha…
We propose a technique for the production of attosecond X-ray pulses which is based on the use of X-ray SASE FEL combined with a femtosecond laser system. A few-cycle optical pulse from a Ti:sapphire laser interacts with the electron beam in a two-period undulator resonant to 800 nm wavelength and produces energy modulation within a slice of the electron bunch. Following the energy modulator the electron beam enters the X-ray undulator and produces SASE radiation. Due to energy modulation the frequency is correlated to the longitudinal position within the few-cycle-driven slice of SASE radiati…
We recently proposed a basic concept for design and layout of the undulator source for a dedicated bio-imaging beamline at the European XFEL. The goal of the optimized scheme proposed here is to enable experimental simplification and performance improvement. The core of the scheme is composed by soft and hard X-ray self-seeding setups. Based on the use of an improved design for both monochromators it is possible to increase the design electron energy up to 17.5 GeV in photon energy range between 2 keV and 13 keV, which is the most preferable for life science experiments. An advantage of operat…
Harmonic lasing provides an opportunity to extend the photon energy range of existing and planned X-ray FEL user facilities. Contrary to nonlinear harmonic generation, harmonic lasing can generate a much more intense, stable, and narrow-band FEL beam. Another interesting application is Harmonic Lasing Self-Seeding (HLSS) that allows to improve the longitudinal coherence and spectral power of a Self-Amplified Spontaneous Emission (SASE) FEL. This concept was tested at FLASH in the range of 4.5 - 15 nm and at PAL XFEL at 1 nm. In this paper we present recent results from the European XFEL where …
Three different approaches have been proposed so far for production of highly monochromatic X-rays from a baseline XFEL undulator: (i) single-bunch self-seeding scheme with a four crystal monochromator in Bragg reflection geometry; (ii) double-bunch self-seeding scheme with a four-crystal monochromator in Bragg reflection geometry; (iii) single-bunch self-seeding scheme with a wake monochromator. A unique element of the X-ray optical design of the last scheme is the monochromatization of X-rays using a single crystal in Bragg-transmission geometry. A great advantage of this method is that the …
X-ray free-electron lasers (XFELs) are the only sources currently able to produce bright few-fs pulses with tunable photon energies from 100 eV to more than 10 keV. Due to the stochastic SASE operating principles and other technical issues the output pulses are subject to large fluctuations, making it necessary to characterize the x-ray pulses on every shot for data sorting purposes. We present a technique that applies machine learning tools to predict x-ray pulse properties using simple electron beam and x-ray parameters as input. Using this technique at the Linac Coherent Light Source (LCLS)…
We describe a future possible upgrade of the European XFEL consisting in the construction of an undulator beamline dedicated to life science experiments. The availability of free undulator tunnels at the European XFEL facility offers a unique opportunity to build a beamline optimized for coherent diffraction imaging of complex molecules, like proteins and other biologically interesting structures. Crucial parameters for such bio-imaging beamline are photon energy range, peak power, and pulse duration. Key component of the setup is the undulator source. The peak power is maximized in the photon…
