LRT_OpenMC/README_LIB.md at main

stafie_c/LRT_OpenMC

Fork 0

Files

T

Stafie Alex PSI 157f2cbfec Added official JEFF4 and JENDL5 data and comments

2026-02-03 13:29:17 +01:00

6.3 KiB

Executable File

Raw Permalink Blame History

Libraries info

The devs have a guide here on converting data: https://github.com/openmc-dev/data

From OpenMC website, https://openmc.org/data/:

The following libraries have been named in the libs folder according to the sections from wehere they we're donwloaded.

ENDF/B-VII.0 - LANL
- restructured the folders to neutron/.. , proton/.. style folders, added the updated path to the cross_sections.xml
- has C0 only
ENDF/B-VII.1 - official
- has C0 only
ENDF/B-VII.1 - LANL
- restructured the folders to neutron/.. , proton/.. style folders, added the updated path to the cross_sections.xml
- has C0 only
ENDF/B-VIII.0 - official
- has C12 and C13
ENDF/B-VIII.0 - LANL
- restructured the folders to neutron/.. style folders, added the updated path to the cross_sections.xml
- has C12 and C13
ENDF/B-VIII.1 - official
- has C12 and C13

JEFF 3.1.1 - NEED TO BE DONE
JEFF 3.2 - other
- restructured the folders to neutron/.. style folders, added the updated path to the cross_sections.xml
- has C0 and C13
JEFF 3.3 - official
- restructured the folders to neutron/.. , proton/.. style folders, added the updated path to the cross_sections.xml
- has C0 and C13
JEFF 3.3 - other
- restructured the folders to neutron/.. style folders, added the updated path to the cross_sections.xml
- has C0 and C13

From other sources:

JEFF 4 (from NEA website, https://databank.io.oecd-nea.org/data/jeff/40/, everything mentioned below is there)

direct hdf5 format (but each temp has a differenre file)
separated for each temp and renamed to openmc typical naming of isotopes
neutron xs is separate (included)
TLS is separate (not included)
fission yeilds are separate (not included)
decay data is separate (not included)
proton data in separate (not included)
not tested
has C12, C13 and C14
NOTES TO DO: Should process the ENDF with OpenMC+NJOY to get just one file with multiple temperatures

Thermal naming/mapping is assumed to follow the conventions used by openmc.data.thermal._THERMAL_NAMES (e.g., c_X for elemental targets and c_X_in_Y for bound scatterers). The following JEFF TSL files were identified as not present in the HDF5 thermal scattering set (ordered/grouped by material), note that the 300K is one of themperatures offered for the XS for tsl_PuO2, tsl_ThO2, tsl_UO2 andtsl_Zy4:

Category / Material	JEFF TSL file
Elemental	`tsl_K_K.jeff`
	`tsl_V_V.jeff`
	`tsl_W_W.jeff`
PuO₂ @ 300 K	`tsl_O16_PuO2_300K.jeff`
	`tsl_Pu238_PuO2_300K.jeff`
	`tsl_Pu239_PuO2_300K.jeff`
	`tsl_Pu240_PuO2_300K.jeff`
	`tsl_Pu241_PuO2_300K.jeff`
	`tsl_Pu242_PuO2_300K.jeff`
ThO₂ @ 300 K	`tsl_O16_ThO2_300K.jeff`
	`tsl_Th232_ThO2_300K.jeff`
UO₂ @ 300 K	`tsl_O16_UO2_300K.jeff`
	`tsl_U238_UO2_300K.jeff`
Zy4 @ 300 K	`tsl_Zr90_Zy4_300K.jeff`
	`tsl_Zr91_Zy4_300K.jeff`
	`tsl_Zr92_Zy4_300K.jeff`
	`tsl_Zr94_Zy4_300K.jeff`
	`tsl_Zr96_Zy4_300K.jeff`
	`tsl_Sn112_Zy4_300K.jeff`
	`tsl_Sn114_Zy4_300K.jeff`
	`tsl_Sn115_Zy4_300K.jeff`
	`tsl_Sn116_Zy4_300K.jeff`
	`tsl_Sn117_Zy4_300K.jeff`
	`tsl_Sn118_Zy4_300K.jeff`
	`tsl_Sn119_Zy4_300K.jeff`
	`tsl_Sn120_Zy4_300K.jeff`
	`tsl_Sn122_Zy4_300K.jeff`
	`tsl_Sn124_Zy4_300K.jeff`

Associated Errors

Converting: /workspace/jeff-4.0-endf/thermal/tsl_K_K.jeff 
/workspace/jeff-4.0-endf/neutron/n_19-K-039g.jeff /workspace/jeff-4.0-endf/thermal/tsl_K_K.jeff could not convert string to float: 'JEFF-4.0:'  
Converting: /workspace/jeff-4.0-endf/thermal/tsl_V_V.jeff                                                                                       
/workspace/jeff-4.0-endf/neutron/n_23-V-051g.jeff /workspace/jeff-4.0-endf/thermal/tsl_V_V.jeff could not convert string to float: 'JEFF-4.0:'                                                                
Converting: /workspace/jeff-4.0-endf/thermal/tsl_W_W.jeff                                                                                       
/workspace/jeff-4.0-endf/neutron/n_74-W-184g.jeff /workspace/jeff-4.0-endf/thermal/tsl_W_W.jeff could not convert string to float: 'JEFF-4.0:'

JEND4 (only 293.7K)
- used the generate_jendl.py script from the dev's openmc git
- has C0 only
- modified the path to the files, removed the """.joinpath('jendl40-or-up_20160106')" in the JEND4 option, else it does not find the files
```
'endf_files': endf_files_dir.glob('*.dat'),
'metastables': endf_files_dir.glob('*m.dat'),
```
- generated the TSL data as well (see the modified scripts for this)
JEND5
- used the generate_jendl.py script from the dev's openmc git
- has C11, C12, C13, C14
- generated thermal scattering library date
- generated photon data
- WARNING: Negative value(s) found on probability table for nuclide Mn55 at 294K. Same for Mo100, Mo92, Mo94, Mo95, Mo96, Mo97, Mo98

Notes:

JENDL may give out errors like this:

 WARNING: Negative value(s) found on probability table for nuclide Mn55 at 294K

They are due do how the resonance is treated, a common issue with the single-level Breit-Wigner formula is that it can produce negative values for physical quantities like elastic scattering or total cross sections, hence its a data problem.

Carbon Summary:

Library	Carbon Isotopes
ENDF/B-VII.0	C0
ENDF/B-VII.1	C0
ENDF/B-VIII.0	C12, C13
ENDF/B-VIII.1	C12, C13
JEFF 3.2	C0, C13
JEFF 3.3	C0, C13
JEFF 4	C12, C13, C14
JENDL 4	C0
JENDL 5	C11, C12, C13, C14