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Fix missing JEFF-4.0 directory-structure TSL PuO2, ThO2, UO2, Zy4 - #106

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Fix missing JEFF-4.0 directory-structure TSL PuO2, ThO2, UO2, Zy4#106
yrrepy wants to merge 6 commits into
openmc-dev:masterfrom
yrrepy:JEFF40-TSL_PuO2_ThO2_UO2_Zy4

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@yrrepy

@yrrepy yrrepy commented Sep 9, 2026

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This PR adds the "directory-structure" S(α,β) evaluations from JEFF-4.0 that are currently missed in processing:

  • Refactor thermal processing so that directory-based evaluations can use the existing process_thermal() workflow.
  • Supply the material metadata needed to process the directory-based evaluations correctly.
  • Preserve the eight Zircaloy-4 burnup states as separate tables: 10-80 GWd/t
  • Process Zircaloy-4 using the NJOY-generated ACE elastic data, preserving the mixed-elastic Sum representation for Sn-115, Sn-117, Sn-119, and Zr-91, including both coherent and incoherent elastic cross sections and distributions.

Affected TSL:

  • tsl_PuO2

    • tsl_O16_PuO2
    • tsl_Pu238_PuO2
    • tsl_Pu239_PuO2
    • tsl_Pu240_PuO2
    • tsl_Pu241_PuO2
    • tsl_Pu242_PuO2
  • tsl_ThO2

    • tsl_O16_ThO2
    • tsl_Th232_ThO2
  • tsl_UO2

    • tsl_O16_UO2
    • tsl_U238_UO2
  • tsl_Zy4

    • tsl_Sn112_Zy4
    • tsl_Sn114_Zy4
    • tsl_Sn115_Zy4
    • tsl_Sn116_Zy4
    • tsl_Sn117_Zy4
    • tsl_Sn118_Zy4
    • tsl_Sn119_Zy4
    • tsl_Sn120_Zy4
    • tsl_Sn122_Zy4
    • tsl_Sn124_Zy4
    • tsl_Zr90_Zy4
    • tsl_Zr91_Zy4
    • tsl_Zr92_Zy4
    • tsl_Zr94_Zy4
    • tsl_Zr96_Zy4

tsl_Zy4 has Burnup dependent files, structured as:

  • c_Sn112_in_Zy4_10GWdt
  • c_Zr91_in_Zy4_40GWdt
  • c_Zr96_in_Zy4_80GWdt

Refactor thermal processing functions and improve handling of multiple thermal paths.
Added directory-based JEFF-4.0 thermal evaluations and updated processing logic for specific materials.
Use NJOY ACE elastic data for Zy4 evaluations to avoid inconsistent Bragg-edge and structure-factor array lengths in the ENDF data.
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