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Fix a bug in compton scattering electron shell selection#3874

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GuySten wants to merge 28 commits into
openmc-dev:developfrom
GuySten:pick-correct-shell
Open

Fix a bug in compton scattering electron shell selection#3874
GuySten wants to merge 28 commits into
openmc-dev:developfrom
GuySten:pick-correct-shell

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@GuySten

@GuySten GuySten commented Mar 12, 2026

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Description

Currently, in compton scatter openmc select electron shell to interact with irrespectively of the incident photon energy. This PR change that to resample the shell until the incident photon energy is higher than the electron binding energy.

This PR also change the compton doppler broadening algorithm to better match https://serpent.vtt.fi/download/Kaltiaisenaho_MSc_2016.pdf.

Checklist

  • I have performed a self-review of my own code
  • I have run clang-format (version 18) on any C++ source files (if applicable)
  • I have followed the style guidelines for Python source files (if applicable)
  • I have made corresponding changes to the documentation (if applicable)
  • I have added tests that prove my fix is effective or that my feature works (if applicable)

@GuySten GuySten added the Bugs label Mar 12, 2026
@GuySten GuySten changed the title Fix a bug in compton scattering shell selection Fix a bug in compton scattering shell and angle selection Mar 12, 2026
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GuySten marked this pull request as ready for review March 12, 2026 21:14
@GuySten GuySten changed the title Fix a bug in compton scattering shell and angle selection Fix a bug in compton scattering shell selection Apr 1, 2026
@GuySten
GuySten marked this pull request as draft April 1, 2026 14:56
@GuySten
GuySten marked this pull request as ready for review April 1, 2026 19:06
@GuySten GuySten changed the title Fix a bug in compton scattering shell selection Fix a bug in compton scattering electron shell selection Jul 22, 2026
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GuySten commented Jul 22, 2026

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@paulromano, can you check my fix? I think the current compton scattering is inaccurate and cause negative heating.

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