HEART: A New X-Ray Tracing Code for Mosaic Crystal Spectrometers

Fuente: arXiv
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Main Authors: Gawne, Thomas, Schwalbe, Sebastian, Chuna, Thomas, Acosta, Uwe Hernandez, Preston, Thomas R., Dornheim, Tobias
Format: Preprint
Published: 2025
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author Gawne, Thomas
Schwalbe, Sebastian
Chuna, Thomas
Acosta, Uwe Hernandez
Preston, Thomas R.
Dornheim, Tobias
author_facet Gawne, Thomas
Schwalbe, Sebastian
Chuna, Thomas
Acosta, Uwe Hernandez
Preston, Thomas R.
Dornheim, Tobias
contents We introduce a new open-source Python x-ray tracing code for modelling Bragg diffracting mosaic crystal spectrometers: High Energy Applications Ray Tracer (HEART). HEART's high modularity enables customizable workflows as well as efficient development of novel features. Utilizing Numba's just-in-time (JIT) compiler and the message-passing interface (MPI) allows running HEART in parallel leading to excellent performance. HEART is intended to be used for modelling x-ray spectra as they would be seen in experiments that measure x-ray spectroscopy with a mosaic crystal spectrometer. This enables the user to make predictions about what will be seen on a detector in experiment, perform optimizations on the design of the spectrometer setup, or to study the effect of the spectrometer on measured spectra. However, the code certainly has further uses beyond these example use cases. Here, we discuss the physical model used in the code, and explore a number of different mosaic distribution functions, intrinsic rocking curves, and sampling approaches which are available to the user. Finally, we demonstrate its strong predictive capability in comparison to spectroscopic data collected at the European XFEL in Germany.
format Preprint
id arxiv_https___arxiv_org_abs_2503_16955
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle HEART: A New X-Ray Tracing Code for Mosaic Crystal Spectrometers
Gawne, Thomas
Schwalbe, Sebastian
Chuna, Thomas
Acosta, Uwe Hernandez
Preston, Thomas R.
Dornheim, Tobias
Plasma Physics
We introduce a new open-source Python x-ray tracing code for modelling Bragg diffracting mosaic crystal spectrometers: High Energy Applications Ray Tracer (HEART). HEART's high modularity enables customizable workflows as well as efficient development of novel features. Utilizing Numba's just-in-time (JIT) compiler and the message-passing interface (MPI) allows running HEART in parallel leading to excellent performance. HEART is intended to be used for modelling x-ray spectra as they would be seen in experiments that measure x-ray spectroscopy with a mosaic crystal spectrometer. This enables the user to make predictions about what will be seen on a detector in experiment, perform optimizations on the design of the spectrometer setup, or to study the effect of the spectrometer on measured spectra. However, the code certainly has further uses beyond these example use cases. Here, we discuss the physical model used in the code, and explore a number of different mosaic distribution functions, intrinsic rocking curves, and sampling approaches which are available to the user. Finally, we demonstrate its strong predictive capability in comparison to spectroscopic data collected at the European XFEL in Germany.
title HEART: A New X-Ray Tracing Code for Mosaic Crystal Spectrometers
topic Plasma Physics
url https://arxiv.org/abs/2503.16955