An automated and robust method for modelling X-ray beamlines with plane grating monochromators.

Area of Science:

• Optics and Photonics
• X-ray Science
• Computational Physics

Background:

• Plane grating monochromators (PGMs) are essential optical instruments for soft X-ray beamlines.
• The efficiency of PGMs is often overestimated due to geometric effects causing unexpected beam blocking.

Purpose of the Study:

• To develop a novel Python-based simulation workflow for PGMs.
• To extend the capabilities of the SHADOW3 ray tracing software.
• To accurately predict PGM efficiency by accounting for beam blocking.

Main Methods:

• Developed a new Python workflow for simulating PGM geometry and performance.
• Integrated the workflow with the established SHADOW3 ray tracing software.
• Simulated the photon flux on a specific branch (C) of the Versatile Soft X-ray (VerSoX) beamline (B07) at Diamond Light Source.

Main Results:

• The simulation workflow accurately models geometric beam blocking in PGMs.
• Simulated flux on the VerSoX beamline showed qualitative agreement with experimental measurements.
• The methodology confirms the robustness of the developed simulation approach.

Conclusions:

• The new Python simulation workflow provides a reliable tool for predicting PGM efficiency.
• Accurate simulation is crucial for optimizing soft X-ray beamline performance.
• This work enhances the utility of ray tracing software for optical instrument design.