We introduce an X-ray Hartmann Wavefront Sensor (HWS) simulation tool developed under the Synchrotron Radiation Workshop (SRW) framework. This metrology package can mimic an in-situ wavefront measurement experiment with a particular beamline optical layout, predict the expected Hartmanngrams, and then give access to the wavefront results under different beamline configurations. From the HWS design point of view, this SRW HWS simulation tool can be used to optimize the wavefront sensor parameters, such as the size and pitch of the Hartmann mask and the distance between the mask and the detector, in a specific X-ray energy range and help to tolerance complicated optical setup. Besides the X-ray HWS simulation in SRW, we also address some initial tests of a hard X-ray HWS under development at NSLS-II. Initial tests can be performed to evaluate the basic functionality of the X-ray HWS, such as the measurement repeatability and sensitivity to beam imperfections. It can provide a comprehensive evaluation of the performance of an X-ray HWS and help to optimize its design and functionality as a diagnostic tool for specific research questions and experimental conditions.
The Soft X-ray Nanoprobe (SXN) beamline, in development at Synchrotron NSLS-II under NEXT-II U.S. Department of Energy MIE project, is dedicated to soft x-ray scanning microscopy. It will offer researchers state-of-the-art soft x-ray nano-imaging and spectroscopy tools with world-leading coherent high photon flux in the energy range from 250 eV to 2500 eV and full polarization control with an aim to reach spatial resolution below 10 nm. It will provide element access from carbon (C) to sulfur (S) through K-edges and many other important elements through L- and M-edges. The primary endstation, nanoISM, will offer both a conventional Scanning Transmission X-ray Microscopy (STXM) mode, for high throughput 2D/3D absorption imaging, and a coherent diffractive imaging (ptychography) mode, for extra high spatial resolution. This article presents the design and status of the SXN beamline. The result of wave-optics- simulation allowed us to verify the beam performance from “source to sample” and supports the design of the beamline.
Detailed physical optics simulations of beamlines and experiments offer great value towards efficiently utilizing light source facilities. They make it possible to study their predicted behaviors under configurations which can be controlled more precisely than in physical experiments. Synchrotron Radiation Workshop (SRW) is a state-of-the-art software package for such simulations. Through its Python-based interface and browser-based interface Sirepo, SRW supports the definition of detailed optical schemes with many types of optical elements, and the simulation of radiation propagation through them. SRW has been mainly focused on CPU-based calculations; however, due to many of the operations being embarrassingly parallel, there is significant potential for accelerating these calculations using general-purpose GPU computation. In this work, the application of GPU accelerated computing to SRW for accelerating time-dependent coherent x-ray scattering experiments is discussed. A detailed simulation of a typical X-ray Photon Correlation Spectroscopy experiment for characterizing the dynamics of a colloidal sample was performed. Large improvements in simulation speed were demonstrated by converting the radiation propagation operations for the associated optical elements to use GPU computation. Combined with coherent mode decomposition, this resulted in a qualitative leap forward in the calculation speed and level of detail at which similar partially coherent scattering experiments can be simulated. These improvements have wide-ranging applications, such as assisting in the development of improved data processing methods and allowing for more detailed analysis of proposed experiments before using beam time.
A wavefront split propagator dedicated to the simulation of wavefront propagation through high-resolution x-ray nano-focusing optics system has been implemented in Synchrotron Radiation Workshop (SRW). The new propagator integrated the Shifted Angular Spectrum (Shift-AS) method and the sub-wavefront approach with SRW's original transmission optics and standard drift-space propagators. This approach allowed for a significant reduction of memory required for the simulation of wavefront propagation through Fresnel zone plates with very large numbers of zones and other high-resolution focusing optics while preserving the accuracy of the numerical wave-optics calculation. We introduce the two approaches, i.e., the sub-wavefront approach and Shift-AS approach, and describe their implementation and program structure in the new SRW’s wavefront split propagator. Using the potential Fresnel zone plates of Soft X-ray Nanoprobe (SXN) beamline at NSLS-II as examples, we demonstrate this new propagator, and report on its high accuracy and memory-saving capabilities by comparing the calculation result with those by the original propagators, and also point to future applications of this approach.
The “Synchrotron Radiation Workshop” (SRW) computer code is extensively used for the development of insertion devices (IDs) and X-ray beamlines at the National Synchrotron Light Source II and at other light source facilities. Among frequently used types of SRW calculations are the calculations of spontaneous emission from an ID in a storage ring, physical optics based simulations of propagation of this partially-coherent radiation through a beamline, and the simulations of propagation of 3D time-dependent radiation pulses through instruments of X-ray Free-Electron Lasers (XFELs). The two types of radiation propagation calculations are CPU-intensive, therefore for each of them parallel algorithms have been developed in SRW. For the storage ring related calculations, the parallel processing was implemented using the Message Passing Interface (MPI). For the XFEL calculations, a shared memory approach provided by the Open Multi-Processing (OpenMP) was adopted. The two parallelization methods, and their implementation in SRW, have different advantages and drawbacks: the MPI-parallelization of partially-coherent calculations for storage rings has a good scaling, but over-consumes memory, whereas the OpenMP-parallelization of time-dependent XFEL calculations is memory-efficient, but it can only scale within one multi-core server. We are reporting the results of the efficiency tests of these two types of parallel calculations, obtained for representative optical schemes. The tests were performed on an isolated server as well on a large computer cluster - the US DOE’s NERSC scientific computing facility.
We performed fully- and partially-coherent synchrotron emission and propagation simulations with the "Synchrotron Radiation Workshop" computer code to analyze the performance of two soft X-ray beamlines under development at the National Synchrotron Light Source II: Soft X-ray Nanoprobe (SXN), and Angle-Resolved Photoemission Spectroscopy (ARPES) and Resonant Inelastic X-ray Scattering (RIXS) Imaging (ARI). The SXN beamline intends to provide high flux and high spatial resolution coherent soft X-ray imaging capabilities using both zone plate and lensless coherent imaging techniques. The ARI beamline aims to perform high flux ARPES and RIXS experiments with a focal spot size at the sample approaching 100 nm using highly-demagnifying mirrors in Kirkpatrick-Baez geometry. To accurately calculate the resolution and the degree of X-ray coherence provided by the two state-of-the-art beamlines, partial coherence effects are required to be taken into account in wave optics simulations for these two beamlines. In this talk, beamline performance parameters such as spot size, degree of coherence, flux, and energy resolution at the sample are presented. The effects of mirror surface slope errors on beamline performance were studied and some suggestions for further optimization are discussed.
KEYWORDS: X-rays, Satellites, Electron beams, Signal to noise ratio, Synchrotron radiation, Hard x-rays, Picosecond phenomena, Sensors, Wavefronts, Wave propagation
In the electron beam slicing scheme1, 2 considered for National Synchrotron Light Source II (NSLS-II) at Brookhaven National Laboratory, when a low energy electron bunch crosses from top of a high energy storage ring electron bunch, its coulomb force will kick a short slice (slicing bunch) from the core (core bunch) of the storage ring electron bunch. The short slice bunch and the long core bunch when passing through the 3 m long U20 in-vacuum undulator will radiate X-ray pulses with pulse length ~150 fs and 30 ps respectively. To separate the satellite radiation from the core radiation, we propose a conceptual optical scheme allowing for the separation. To get reliable estimates of the separation performances, we apply the Synchrotron Radiation Workshop (SRW) physical optics computer code3, 4 to study the wavefront propagation. As calculations show, at 7.8 keV, the separation signal-to-noise ratio can reach 5~12 and the satellite photon flux per pulse at sample can be 5000~20000 photons/0.1%BW with x-ray pulse length 150 ~ 330 fs depending on the separation method and the crossing angle between the low energy electron bunch and the high energy storage ring bunch. Since the repetition rate of the electron beam slicing system can reach 100 kHz, the average flux per second can reach 5 x 108 ` 2 x 109
photons/sec/0.1%BW.
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