An open software framework for advancement of x-ray optics simulation and modeling

Abstract

Accurate physical-optics based simulation of emission, transport and use in experiments of fully- and partially-coherent X-ray radiation is essential for both designers and users of experiments at state-of-the-art light sources: low-emittance storage rings, energy-recovery linacs and free-electron lasers. To be useful for different applications, the simulations must include accurate physical models for the processes of emission, for the structures of X-ray optical elements, interaction of the radiation with samples, and propagation of scattered X-rays to a detector. Based on the “Synchrotron Radiation Workshop” (SRW) open source computer code, we are developing a simulation framework, including a graphical user interface, web interface for client-server simulations, data format for wave-optics based representation of partially-coherent X-ray radiation, and a dictionary for universal description of optical elements. Also, we are evaluating formats for sample and experimental data representation for different types of experiments and processing. The simulation framework will facilitate start-to-end simulations by different computer codes complementary to SRW, for example GENESIS and FAST codes for simulating self-amplified spontaneous emission, SHADOW and McXtrace geometrical ray-tracing codes, as well as codes for simulation of interaction of radiation with matter and data processing in experiments exploiting coherence of radiation. The development of the new framework is building on components developed for the Python-based RadTrack software, which is designed for loose coupling of multiple electron and radiation codes to enable sophisticated workflows. We are exploring opportunities for collaboration with teams pursuing similar developments at European Synchrotron Radiation Facility and the European XFEL.