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

Patrick Yuheng Wang¹, Murilo Bazan da Silva¹, Georg Held¹

¹Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE, United Kingdom.

Journal of Synchrotron Radiation

|May 13, 2025

Summary

We developed a Python simulation for plane grating monochromators (PGMs) to accurately predict soft X-ray beamline efficiency. This method accounts for geometric beam blocking, improving simulation accuracy for instruments like VerSoX at Diamond Light Source.

Keywords:

monochromators plane gratings ray tracing simulation soft X-rays

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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.