SCALE 6.1.3 Update | ORNL (2025)

December 2, 2013

To request the SCALE 6.1.3 patch, please contact scalehelp@ornl.gov.

The SCALE 6.1.3 update is available for SCALE 6.1 to provide enhanced performance in the areas detailed below. This comprehensive update includes enhancements previously released as SCALE 6.1.1 and SCALE 6.1.2. In addition to the functionality improvements provided in 6.1.1 and 6.1.2, the SCALE 6.1.3 update provides compatibility with additional Linux operating systems, but provides no additional updates in functionality. This update is recommended for all users of SCALE 6.1 and 6.1.1 and for Linux users of 6.1.2.

Segmentation Fault on Some Linux Kernels

SCALE 6.1, 6.1.1, and 6.1.2 were created and tested on RHEL4 Linux to provide backwards compatibility with older Linux operating systems. Users of newer Linux kernels have reported problems executing SCALE, with all modules stopping on a segmentation fault. Although ORNL only has a few variants of Linux for testing, the error is believed to occur on Ubuntu 11, 12, 13; Fedora 16, 17, 18; RHEL6; and CentOS 6.4.

The issue is caused by changes in how Linux handles system calls that report environment information used to populate the SCALE QA table.

SCALE 6.1.3 provides revised methods to access this information and the compiled binary executable files for 64-bit Linux systems are compatible with many more operating systems. No further enhancements to SCALE are provided with this update, so previously computed results will not vary beyond normal statistical deviations observed when updating compilers and/or operating systems.

Mac and Windows users are not affected by this update, so the Mac, Windows and 32-bit Linux executable files in SCALE 6.1.3 are the same as those distributed with SCALE 6.1.2.

ORIGEN ENDF/B-VII.1 Data (Updated in SCALE 6.1.2, February 28, 2013)

The ORIGEN decay data library was updated from ENDF/B-VII.0 to ENDF/B-VII.1 to correct errors introduced in the evaluated ENDF/B-VII.0 decay sublibrary, released by the National Nuclear Data Center (NNDC) in December 2006. The NNDC confirmed the problem and released an updated decay library with ENDF/B-VII.1 (November 2011). The error is observed primarily for simulations of the ²³⁸U decay series. The gamma ray spectrum obtained using ENDF/B-VII.0 data is significantly over estimated, caused primarily by incorrect branching of ²³⁴Th beta decay to ground state ²³⁴Pa. Additional information on the errors in the ENDF/B-VII.0 decay evaluations, and improvements for ENDF/B-VII.1, are posted on the NNDC website.

http://www.nndc.bnl.gov/exfor/endfb7.1_decay.jsp

Further review of the decay data identified systematic errors in decay schemes for the actinides and the recoverable decay energy values. Problems were also observed in many short-lived fission products, although the impact on most typical spent fuel calculations was relatively minor.

In addition to updating the decay library to ENDF/B-VII.1, the fission yield library and the gamma-ray and X-ray library are also updated for compatibility with the new decay library. The fission yield library is still based on ENDF/B-VII.0 (largely unchanged in –VII.1), however, the gamma ray library is updated using new evaluations in ENDF/B-VII.1.

Impact of update on previous calculations:

Uranium-238 decay calculations: Significant reduction in the gamma yield is observed for the decay of ²³⁸U with the correction of the ²³⁴Th decay scheme in ENDF/B-VII.1.

Energy release following fission (decay heat): Total energy release after fission is mostly unchanged for cooling times up to about 4 hours (errors up to several percent), but gamma energy release may be under predicted by up to 15%, with a similar over prediction of the beta energy component.

Gamma spectrum following ²³⁵U fission: For times from 1 s to 30 years, the fission product gamma spectra are mostly unchanged, with slightly greater intensities for > 2 MeV associated with the adoption of ENDF/B-VII.1 gamma emission data.

Spent Fuel Isotopic Depletion: Generally concentrations agree well within 1% of previous values. Changes larger than 1% generally reflect updates to the values of the nuclide decay half lives. The update results in an increase in the ²³⁵U content in high burnup spent nuclear fuel of up to about 1% due to improved representation of the production path via ^235mU.

A more extensive analysis of this updated library is provided in Appendix A.

ORIGEN Irradiation Calculations (Updated in SCALE 6.1.2, February 28, 2013)

ORIGEN was updated to correct a memory management error in irradiation calculations that would occasionally cause fission products to be produced from non-fissile materials. This error only affects SCALE 6.1 calculations with irradiation time steps of 5-35 days. The error may be encountered when hydrogen or other very light elements exist in the system, producing large masses of fission products with A>162 (~10⁸ grams) that are easily identified. When hydrogen does not exist in the system, the error may be more difficult to detect as it only affects the transitions for a small set of fission products with A>162.

All calculations performed with SCALE 6.1 or 6.1.1 using time steps between 5 and 35 days should be reviewed to ensure that additional fission product mass is not generated. Calculations with SCALE versions prior to 6.1 are not affected.

Parallel Branch Calculations with TRITON (Updated in SCALE 6.1.2, February 28, 2013)

An updated RUNNER package has been developed to replace the previous RUNNER deployed with SCALE 6.1 to perform parallel branch calculations with TRITON. The updated RUNNER mitigates instabilities observed by some users when performing calculations on Linux 64-bit platforms. Improved stability is realized through the addition of parallel environment setup, control mechanisms, and feedback enabled in the updated RUNNER and associated codes. The DataComm package was added for parallel communication, and additional internal quality and testing features are introduced with the jDebug and DBCF packages. Several configuration files were also modified to enable SCALE builds with MPI support.

Two new RUNNER options can now be input in the PARM= section of SCALE input:

PARM=silent Causes RUNNER to not report information to the SCALE .msg file

PARM=runnerout Causes RUNNER to report extensive debug information to the .out file

Other SCALE components modified to support this updated version of RUNNER include:

DRIVER, TRITON, TRITONLIB, scalerte, SCALELIB, cpexec, and aliases.

Results from previous calculations that completed successfully are not affected by this update, but calculations that previously failed due to instability of the parallel framework will now run to completion.

Critical Spectrum Calculations with NEWT (Updated in SCALE6.1.2, February 28, 2013)

NEWT was updated to correct an error that would cause few-group homogenization calculations to fail in critical spectrum mode when using the user specified critical buckling value or critical height. Calculations that previously failed will now run to completion. Calculations that do not use these options are not affected by this update.

Implicit Sensitivity Calculations (Updated in SCALE 6.1.2, February 28, 2013)

BONAMIST was updated to prevent an error where implicit sensitivities for some nuclides would occasionally not be written to an internal data file for use in sensitivity calculations in SAMS. The impact of this correction is especially observed for ²³⁸U in MOX where the integral sensitivity can be exaggerated by a factor of three as -0.03 instead of -0.01. The error is not present in all cases, and users who performed recommended direct perturbation calculations would observe the discrepancy.

SAMSLIB used with SAMS5 and SAMS6 was updated to correct an internal storage allocation issue that would occasionally cause calculations to fail. Calculations that previously ran to completion are not affected by this update.

REORG (Updated in SCALE 6.1.2, February 28, 2013)

REORG, used to post-process ORIGEN data files used with ORIGEN-ARP, was updated to allow increased internal data storage that would occasionally cause calculations to fail. Calculations that previously ran to completion are not affected by this update.

Double Heterogeneous Calculations (Updated in SCALE 6.1.2, February 28, 2013)

CAJUN was updated to correct an issue that occasionally caused double heterogeneous cases with many nuclides to fail. Cases that previously ran to completion are not affected.

CENTRM (Updated in SCALE 6.1.1, May 23, 2012)

CENTRM was updated to correct an issue that can lead to non-conservative k_eff values when using the 44-group ENDF/B-V data with CENTRM for high-leakage models with trace-element number densities below ~10^‑9atoms/barn-cm when running SCALE 5.1–SCALE6.1. The effect on the 238-group ENDF/B-V, VI, and VII libraries is minimal. There is no effect on continuous-energy Monte Carlo calculations.

In the dozens of test cases examined thus far, the discrepancy appears only in cases that meet ALL of the following conditions.

1. Calculations are performed with SCALE 5.1, 6.0 or 6.1.
2. The number density of at least one nuclide has a small fractional concentration of 10^-8 or less relative to the total mixture number density. Typically this corresponds to an absolute concentration less than ~10^-9 to 10^-10 atoms/barn-cm, but greater than zero.
3. The SCALE 44-group ENDF/B-V library or a user-generated broad group library with few groups in the U-238 resolved resonance range (1 eV-4 KeV) is used.
4. CENTRM is used for resonance self-shielding. This is the default behavior in SCALE 6.1, but NITAWL processing is the default behavior for SCALE 5.1 and 6.0 for the ENDF/B-V cross-section data, so the user must explicitly request CENTRM processing to observe the discrepancy with SCALE 5.1 or 6.0.
5. The system is sensitive to the high-energy portion of the resolved range, which most commonly occurs for high-leakage systems. Low-leakage criticality and depletion models examined realized only a minimal impact.

Impact of CENTRM error on computed results:

1. Continuous-energy KENO calculations do not use CENTRM and are not affected.
2. The impact for all 238-group calculations examined thus far is small, on the order of a few pcm.
3. Eigenvalues and isotopic concentrations computed for the 44-group ENDF/B-V depletion cases examined are not significantly affected, because these are low-leakage systems [reflected lattice geometries]. For most cases that meet all of the above criteria, including burned fuel criticality safety calculations that include small concentrations of fission products, the discrepancy introduces an error on the order of 100 pcm.

In a contrived case that artificially introduces a trace material into a plutonium nitrate system, a discrepancy of ~3% delta-k between the SCALE 6.1 and corrected SCALE 6.1.1 result has been observed. However, the SCALE development team has not observed an experimental benchmark or operational safety-related problem that exhibits an error on the order of this contrived numerical case.

After applying the patch, users should repeat any calculations where this discrepancy could affect results.

Lattice Physics Enhancements (Updated in SCALE 6.1.1, May 23, 2012)

Several minor updates for lattice physics calculations have been included for TRITON and NEWT. Users will realize improved performance where these specific features are utilized. The following issues have been resolved.

1. Homogenization of kinetic parameters in NEWT: The delayed neutron fraction, beta, is currently homogenized by forward fission weighting. In this formulation, beta should be weighted by the nu-fission reaction rate. The current coding uses the fission reaction rate (i.e., without the nu). Users should expect differences in the homogenized values of kinetic parameters, which will impact subsequent transient analysis.
2. TRITON TRACE Block: An issue was identified using the TRACE block in TRITON. The TRACE block now supports any nuclide in the ORIGEN light-element library. Previously in SCALE 6.1, only trace amounts of nuclides from the AMPX cross-section library could be added to depletion materials. The ORIGEN light-element library contains more nuclides than are available in the AMPX cross-section library.
3. Depletion File ft71f001 Index Listing: TRITON provides an output edit for a table of contents of the data in the ORIGEN nuclide inventory file (i.e., ft71f001). This file can be used in follow-on ORIGEN-ARP and OPUS analyses. It was identified that the record numbers were not properly displayed for the two cumulative datasets (system-sum of materials and selected-sum of materials). This edit was corrected.
4. KENO Depletion Message: TRITON increases the user-defined KENO parameters NSK and GEN for depletion analysis. A message was added to the TRITON output to notify users of the modified values.
5. NEWT ARRAY block: Two issues were addressed for the NEWT ARRAY block. An error message was added in the case where an array is used in the model geometry without being defined in the ARRAY block. Second, a code bug was removed so that the model geometry may include multiple placements of the same array definition.
6. CENTRM Cross-section processing defaults: TRITON supports several sets of CENTRM cross-section processing defaults: parm=2region, parm=centrm, and parm=(xslevel=1/2/3/or 4). An error was identified in depletion calculations if the user supplied parm=centrm. In this case, TRITON continued to use the depletion default set, which has been slightly modified to decrease run-time without significantly impacting depletion analysis. This error was resolved in this patch. For depletion calculations (i.e. =t-depl, =t-depl‑1d, =t5-depl, =t6-depl) that use parm=centrm, users can expect a small deviation (~50 pcm change in multiplication factor as a function of burnup) and slightly longer run-times for depletion models that utilize the parm=centrm option when using the SCALE6.1.1 update.

MAVRIC/Monaco Enhancements (Updated in SCALE 6.1.1, May 23, 2012)

A few minor issues were identified with the SCALE fixed-source Monte Carlo code Monaco and an associated utility, especially related to seldom-used optional features. Users should review any results produced with these features using SCALE 6.1.

1. When specifying the special distribution pwrNeutronAxialProfileReverse or pwrGammaAxialProfileReverse for a spatial source distribution, the un-reversed profile was erroneously returned.
2. The sum of the point detector group-wise results may be higher than the point detector energy-integrated (total) results. The reported total is correct. The group-wise values are high due to rejecting negative contributions (which happen a small fraction of the time due to the multigroup energy/angle physics).
3. If a source specification utilizes different Watt spectra distributions in multiple sources, the energies sampled for one source may include energies from the wrong distribution.
4. The utility program mim2wwinp does not format MCNP *.wwinp files correctly for photon-only problems. MCNP interprets a *.wwinp with only one particle listed as neutrons, even in a "mode p" problem. The *.wwinp file produced by SCALE needs to specifically identify that there are 0 neutron groups for photon-only problems.

ORIGEN Data Enhancements (Updated in SCALE 6.1.1, May 23, 2012)

Three issues are corrected within the ORIGEN depletion and decay libraries.

1. origen.rev03.jeff200g – The energy group boundaries of the 200-group JEFF-based ORIGEN library were inadvertently generated using constant lethargy boundaries instead of the boundaries of the SCALE 200-neutron and 47-gamma group cross section libraries. The library was regenerated to include the corrected boundaries. No other changes were made. All calculations performed with the previous version of the jeff200g library should be discarded and repeated with the current library.
2. The fission product yield library used by COUPLE was modified to include ternary yields of H-3, He-3, and He-4 based on data from the JEF-2.2 fission yield library. In the previous library these fission products are only generated as by-products of neutron reactions other than fission, and not directly from fission. Cumulative yields are applied for H-3 and He-4, and direct yields are used for He-3 since it is a decay product of H-3. Direct yields for He-3 are zero for all fission nuclides.
3. The ORIGEN decay libraries were updated to provide correct natural abundances of several elements. Previously, the use of natural isotopic abundances (NEX1=4) for input element concentrations entered in gram units may have resulted in incorrect isotopic concentrations for Mg, Ge, Kr, Sr, and Te. If atom units (gram atoms) were used, incorrect isotopic concentrations may have occurred for F, Na, Mg, Al, P, Sc, Mn, Co, Ge, As, Kr, Sr, Y, Nb, Rh, Te, I, Cs, Pr, Tb, Ho, Tm, and Au. The libraries origen.rev02.decay.data and origen.rev02.end7dec were updated.

KENO-VI Hexagonally-Pitched Arrays (Updated in SCALE 6.1.1, May 23, 2012)

KENO-VI was updated to correct an issue that occasionally caused a calculation to fail when tracking in a hexagonally-pitched array. Previous calculations that encountered this error failed, and the results of other calculations are not affected.

Other Enhancements (Updated in SCALE 6.1.1, May 23, 2012)

The SCALE 6.1 distribution included some sample problem output data that were generated with a prerelease version of SCALE and were not consistent with those produced by the final release of SCALE 6.1. Additionally, some of the sample problems were verified using output that included timing information, such as Figure of Merit data from Monte Carlo calculations. This update provides revised .out and .table files for all sample problems, updates in the XML files that drive the sample problems, corrections in platform-specific information in three Windows sample problem inputs, and provides an updated differencing tool that is used for comparing sample problem outputs.

Additionally, KENO3D and OrigenArp example files that are referenced in some publications but were not included in SCALE 6.1 are also installed with this update, and an updated version of GeeWiz is provided to correct minor issues.

Files

The following files will be installed, regardless of platform

./scale6.1:

CMakeTPL.txt Windows_x86

CopyBack.xml cmake

Darwin cmds

GeeWiz data

Keno3d output

Linux_i686 samples-windows_x86.xml

Linux_x86_64 samples.xml

OrigenArp script

ScaleRunResources.xml smplprbs

Windows_amd64 src

./scale6.1/Darwin:

bin data

./scale6.1/Darwin/bin:

bonamist mavric origen triton

cajun mim2wwinp reorg triton6

centrm monaco sams5

couple newt sams6

kenovi newt-omp scale

./scale6.1/Darwin/data:

qatable

./scale6.1/GeeWiz:

GeeWiz.exe GeeWizHelp.chm

./scale6.1/Keno3d:

Examples keno3d.exe

./scale6.1/Keno3d/Examples:

Asmile.inp cross.inp

Cube0.inp cruciform_cyls.inp

Ga4-TruckCask.inp cube_ecyl.inp

HOLE4.INP cubecyl1.inp

HOLE5.INP grotesque2.inp

HopperWithChords.inp hemicyls_nested.inp

KENO10.INP saxton792.inp

KENO12.INP sheba-detail-k6.inp

KENO2.INP sheba-detail-k6.kmt

Sphere8Cut.inp sheba.inp

annular_hex_array.inp sheba.kmt

array7.inp sheba.out

container2.inp y_30degree.inp

container2_6x6.inp

./scale6.1/Linux_i686:

bin data

./scale6.1/Linux_i686/bin:

bonamist mavric origen triton

cajun mim2wwinp reorg triton6

centrm monaco sams5

couple newt sams6

kenovi newt-omp scale

./scale6.1/Linux_i686/data:

qatable

./scale6.1/Linux_x86_64:

bin data

./scale6.1/Linux_x86_64/bin:

bonamist mavric origen scale

cajun mim2wwinp reorg triton

centrm monaco runner triton6

couple newt sams5

kenovi newt-omp sams6

./scale6.1/Linux_x86_64/data:

qatable

./scale6.1/OrigenArp:

Examples

./scale6.1/OrigenArp/Examples:

Balakova2-15.arp bm1.arp

Demonstration.arp bm1.mox

Magnox-a.arp oecd-ivb.arp

UO2ExpressDemo1.arp oecd-ivb.mox

UO2ExpressDemo1.uo2 vv440.arp

agr-20.arp

./scale6.1/Windows_amd64:

bin data

./scale6.1/Windows_amd64/bin:

bonamist.exe mavric.exe o rigen.exe triton.exe

cajun.exe mim2wwinp.exe reorg.exe triton6.exe

centrm.exe monaco.exe sams5.exe

couple.exe newt-omp.exe sams6.exe

kenovi.exe newt.exe scale.exe

./scale6.1/Windows_amd64/data:

qatable

./scale6.1/Windows_x86:

bin data

./scale6.1/Windows_x86/bin:

bonamist.exe mavric.exe o rigen.exe triton.exe

cajun.exe mim2wwinp.exe reorg.exe triton6.exe

centrm.exe monaco.exe sams5.exe

couple.exe newt-omp.exe sams6.exe

kenovi.exe newt.exe scale.exe

./scale6.1/Windows_x86/data:

qatable

./scale6.1/cmake:

IntelCXXFlags.cmake IntelFortranFlags.cmake

./scale6.1/cmds:

cpexec lib

./scale6.1/cmds/lib:

JavaDiff.jar

./scale6.1/data:

aliases origen.rev04.maphnobr

origen.rev03.end7dec origen.rev04.maphuo2b

origen.rev03.jeff200g origen_data

origen.rev04.maphh2ob scale.messages

./scale6.1/data/origen_data:

origen.rev03.decay.data origen.rev04.mpdkxgam.data

origen.rev03.yields.data

./scale6.1/output:

Nix k6smp07.out

Windows k6smp08.out

arp.out k6smp09.out

arplib-reorg.out k6smp10.out

bonami.out k6smp11.out

c5toc6.out k6smp12.out

caas.kenovi.out k6smp13.out

caas.mavricA.out k6smp14.out

caas.mavricB.out k6smp15.out

cecsas5_1.out k6smp16.out

cecsas5_2.out k6smp17.out

cecsas5_4.out k6smp18.out

cecsas5_5.out k6smp19.out

cecsas5_6.out k6smp20.out

cecsas6_1.out k6smp21.out

cecsas6_2.out k6smp22.out

cecsas6_3.out k6smp23.out

cecsas6_4.out k6smp24.out

cecsas6_5.out k6smp25.out

cecsas6_6.out k6smp26.out

cecsas6_7.out k6smp27.out

cecsas6_8.out kenova.out

cek5smp01.out kenovi.out

cek5smp02.out kmart5.out

cek5smp03.out kmart6.out

cek5smp04.out mavric.caskAnalogn.out

cek5smp06.out mavric.caskAnalogp.out

cek5smp07.out mavric.caskCADISn.out

cek5smp08.out mavric.caskCADISp.out

cek5smp09.out mavric.graphiteCADIS.out

cek5smp10.out mavric.isfsi.out

cek5smp11.out mavric.lithoFW.out

cek5smp12.out mavric.tn24p.out

cek5smp13.out mavricUtilities1.out

cek5smp14.out mavricUtilities2.out

cek5smp15.out mavricUtilities3.out

cek5smp16.out mcdancoff.out

cek5smp18.out monaco.d2oSphereA.out

cek5smp19.out monaco.d2oSphereB.out

cek5smp20.out monaco.graphite.out

cek5smp21.out monaco.howitzer.out

cek5smp22.out monaco.ironSphere.out

cek5smp23.out newt1.out

cek5smp24.out newt2.out

cek5smp25.out newt3.out

cek5smp26.out newt4.out

cek5smp27.out newt5.out

cek5smp28.out nitawl.out

cek5smp29.out opus.out

cek5smp30.out origen.out

cek5smp31.out picture.out

cek5smp32.out prism.out

cek5smp33.out qadcggp.out

cek6smp01.out qads.out

cek6smp02.out sas1a.out

cek6smp03.out sas1b.out

cek6smp04.out sas1c.out

cek6smp06.out sas1d.out

cek6smp07.out sas1e.out

cek6smp08.out sas1f.out

cek6smp09.out sas1g.out

cek6smp10.out sas1h.out

cek6smp11.out smores_evref.out

cek6smp12.out smores_maxk.out

cek6smp13.out smores_minmas.out

cek6smp14.out starbucs1.out

cek6smp15.out starbucs2.out

cek6smp16.out starbucs3.out

cek6smp18.out starbucs4.out

cek6smp19.out starbucs5.out

cek6smp20.out starbucs6.out

cek6smp21.out toc.out

cek6smp22.out triton1.out

cek6smp23.out triton10.out

cek6smp24.out triton11.out

cek6smp25.out triton12.out

cek6smp26.out triton12.sdf

cek6smp27.out triton2.out

cekenova.out triton3.out

cekenovi.out triton4.out

centrm-activity.out triton5.out

centrm-boundary.out triton6-1.out

centrm-dancoff.out triton6.out

centrm-double_het.out triton7.out

centrm-libraries.out triton8.out

centrm-options.out triton9.out

centrm-pwr.out triton9.sdf

centrm-thermal.out triton9.u235-abs.sdf

centrm-transport.out triton9.u235-fis.sdf

couple.out triton9.u238-abs.sdf

csas5_1.out triton9.u238-fis.sdf

csas5_2.out tsar-1.0002.react.sdf

csas5_3.out tsar-1.kstate1.sdf

csas5_4.out tsar-1.kstate2.sdf

csas5_5.out tsar-1.out

csas5_6.out tsar-1.react.sdf

csas5_7.out tsar-1d_1.sdf

csas5_8.out tsar-1d_2.sdf

csas6_1.out tsar-2.0002.react.sdf

csas6_2.out tsar-2.kstate1.sdf

csas6_3.out tsar-2.kstate2.sdf

csas6_4.out tsar-2.out

csas6_5.out tsar-2.react.sdf

csas6_6.out tsunami-1d1.out

csas6_7.out tsunami-1d1.sdf

csas6_8.out tsunami-1d2.out

ice.out tsunami-1d2.sdf

k5smp01.out tsunami-1d3.out

k5smp02.out tsunami-1d3.sdf

k5smp03.out tsunami-1d4.out

k5smp04.out tsunami-1d4.sdf

k5smp05.out tsunami-1d5.out

k5smp06.out tsunami-1d5.sdf

k5smp07.out tsunami-1d6.out

k5smp08.out tsunami-1d6.sdf

k5smp09.out tsunami-1d7.out

k5smp10.out tsunami-1d7.sdf

k5smp11.out tsunami-1d8.out

k5smp12.out tsunami-1d9.U234-abs.sdf

k5smp13.out tsunami-1d9.U234-fis.sdf

k5smp14.out tsunami-1d9.U235-abs.sdf

k5smp15.out tsunami-1d9.U235-fis.sdf

k5smp16.out tsunami-1d9.U238-abs.sdf

k5smp17.out tsunami-1d9.U238-fis.sdf

k5smp18.out tsunami-1d9.out

k5smp19.out tsunami-1d9.sdf

k5smp20.out tsunami-3d-summary.out

k5smp21.out tsunami-3d_k5-1.out

k5smp22.out tsunami-3d_k5-1.sdf

k5smp23.out tsunami-3d_k5-2.out

k5smp24.out tsunami-3d_k5-2.sdf

k5smp25.out tsunami-3d_k5-3.out

k5smp26.out tsunami-3d_k5-3.sdf

k5smp27.out tsunami-3d_k5-4.out

k5smp28.out tsunami-3d_k5-4.sdf

k5smp29.out tsunami-3d_k6-1.out

k5smp30.out tsunami-3d_k6-1.sdf

k5smp31.out tsunami-3d_k6-2.out

k5smp32.out tsunami-3d_k6-2.sdf

k5smp33.out tsunami-ip.out

k6smp01.out tsunami-ip.sdf

k6smp02.out tsurfer.out

k6smp03.out util.out

k6smp04.out xsdose.out

k6smp05.out xsdrn.out

k6smp06.out xseclist.out

./scale6.1/output/Nix:

arp.table k5smp22.table

arplib-reorg.table k5smp23.table

bonami.table k5smp24.table

c5toc6.table k5smp25.table

caas.kenovi.table k5smp26.table

caas.mavricA.table k5smp27.table

caas.mavricB.table k5smp28.table

cecsas5_1.table k5smp29.table

cecsas5_2.table k5smp30.table

cecsas5_4.table k5smp31.table

cecsas5_5.table k5smp32.table

cecsas5_6.table k5smp33.table

cecsas6_1.table k6smp01.table

cecsas6_2.table k6smp02.table

cecsas6_3.table k6smp03.table

cecsas6_4.table k6smp04.table

cecsas6_5.table k6smp05.table

cecsas6_6.table k6smp06.table

cecsas6_7.table k6smp07.table

cecsas6_8.table k6smp08.table

cek5smp01.table k6smp09.table

cek5smp02.table k6smp10.table

cek5smp03.table k6smp11.table

cek5smp04.table k6smp12.table

cek5smp06.table k6smp13.table

cek5smp07.table k6smp14.table

cek5smp08.table k6smp15.table

cek5smp09.table k6smp16.table

cek5smp10.table k6smp17.table

cek5smp11.table k6smp18.table

cek5smp12.table k6smp19.table

cek5smp13.table k6smp20.table

cek5smp14.table k6smp21.table

cek5smp15.table k6smp22.table

cek5smp16.table k6smp23.table

cek5smp18.table k6smp24.table

cek5smp19.table k6smp25.table

cek5smp20.table k6smp26.table

cek5smp21.table k6smp27.table

cek5smp22.table kenova.table

cek5smp23.table kenovi.table

cek5smp24.table kmart5.table

cek5smp25.table kmart6.table

cek5smp26.table mavric.caskAnalogn.table

cek5smp27.table mavric.caskAnalogp.table

cek5smp28.table mavric.caskCADISn.table

cek5smp29.table mavric.caskCADISp.table

cek5smp30.table mavric.graphiteCADIS.table

cek5smp31.table mavric.isfsi.table

cek5smp32.table mavric.lithoFW.table

cek5smp33.table mavric.tn24p.table

cek6smp01.table mavricUtilities1.table

cek6smp02.table mavricUtilities2.table

cek6smp03.table mavricUtilities3.table

cek6smp04.table mcdancoff.table

cek6smp06.table monaco.d2oSphereA.table

cek6smp07.table monaco.d2oSphereB.table

cek6smp08.table monaco.graphite.table

cek6smp09.table monaco.howitzer.table

cek6smp10.table monaco.ironSphere.table

cek6smp11.table newt1.table

cek6smp12.table newt2.table

cek6smp13.table newt3.table

cek6smp14.table newt4.table

cek6smp15.table newt5.table

cek6smp16.table nitawl.table

cek6smp18.table opus.table

cek6smp19.table origen.table

cek6smp20.table picture.table

cek6smp21.table qadcggp.table

cek6smp22.table qads.table

cek6smp23.table sas1a.table

cek6smp24.table sas1b.table

cek6smp25.table sas1c.table

cek6smp26.table sas1d.table

cek6smp27.table sas1e.table

cekenova.table sas1f.table

cekenovi.table sas1g.table

centrm-activity.table sas1h.table

centrm-boundary.table smores_evref.table

centrm-dancoff.table smores_maxk.table

centrm-double_het.table smores_minmas.table

centrm-libraries.table starbucs1.table

centrm-options.table starbucs2.table

centrm-pwr.table starbucs3.table

centrm-thermal.table starbucs4.table

centrm-transport.table starbucs5.table

couple.table starbucs6.table

csas5_1.table toc.table

csas5_2.table triton1.table

csas5_3.table triton10.table

csas5_4.table triton11.table

csas5_5.table triton12.table

csas5_6.table triton2.table

csas5_7.table triton3.table

csas5_8.table triton4.table

csas6_1.table triton5.table

csas6_2.table triton6-1.table

csas6_3.table triton6.table

csas6_4.table triton7.table

csas6_5.table triton8.table

csas6_6.table triton9.table

csas6_7.table tsar-1.table

csas6_8.table tsar-2.table

ice.table tsunami-1d1.table

k5smp01.table tsunami-1d2.table

k5smp02.table tsunami-1d3.table

k5smp03.table tsunami-1d4.table

k5smp04.table tsunami-1d5.table

k5smp05.table tsunami-1d6.table

k5smp06.table tsunami-1d7.table

k5smp07.table tsunami-1d8.table

k5smp08.table tsunami-1d9.table

k5smp09.table tsunami-3d-summary.table

k5smp10.table tsunami-3d_k5-1.table

k5smp11.table tsunami-3d_k5-2.table

k5smp12.table tsunami-3d_k5-3.table

k5smp13.table tsunami-3d_k5-4.table

k5smp14.table tsunami-3d_k6-1.table

k5smp15.table tsunami-3d_k6-2.table

k5smp16.table tsunami-ip.table

k5smp17.table tsurfer.table

k5smp18.table util.table

k5smp19.table xsdose.table

k5smp20.table xsdrn.table

k5smp21.table xseclist.table

./scale6.1/output/Windows:

arp.table k5smp22.table

arplib-reorg.table k5smp23.table

bonami.table k5smp24.table

c5toc6.table k5smp25.table

caas.kenovi.table k5smp26.table

caas.mavricA.table k5smp27.table

caas.mavricB.table k5smp28.table

cecsas5_1.table k5smp29.table

cecsas5_2.table k5smp30.table

cecsas5_4.table k5smp31.table

cecsas5_5.table k5smp32.table

cecsas5_6.table k5smp33.table

cecsas6_1.table k6smp01.table

cecsas6_2.table k6smp02.table

cecsas6_3.table k6smp03.table

cecsas6_4.table k6smp04.table

cecsas6_5.table k6smp05.table

cecsas6_6.table k6smp06.table

cecsas6_7.table k6smp07.table

cecsas6_8.table k6smp08.table

cek5smp01.table k6smp09.table

cek5smp02.table k6smp10.table

cek5smp03.table k6smp11.table

cek5smp04.table k6smp12.table

cek5smp06.table k6smp13.table

cek5smp07.table k6smp14.table

cek5smp08.table k6smp15.table

cek5smp09.table k6smp16.table

cek5smp10.table k6smp17.table

cek5smp11.table k6smp18.table

cek5smp12.table k6smp19.table

cek5smp13.table k6smp20.table

cek5smp14.table k6smp21.table

cek5smp15.table k6smp22.table

cek5smp16.table k6smp23.table

cek5smp18.table k6smp24.table

cek5smp19.table k6smp25.table

cek5smp20.table k6smp26.table

cek5smp21.table k6smp27.table

cek5smp22.table kenova.table

cek5smp23.table kenovi.table

cek5smp24.table kmart5.table

cek5smp25.table kmart6.table

cek5smp26.table mavric.caskAnalogn.table

cek5smp27.table mavric.caskAnalogp.table

cek5smp28.table mavric.caskCADISn.table

cek5smp29.table mavric.caskCADISp.table

cek5smp30.table mavric.graphiteCADIS.table

cek5smp31.table mavric.isfsi.table

cek5smp32.table mavric.lithoFW.table

cek5smp33.table mavric.tn24p.table

cek6smp01.table mavricUtilities1.table

cek6smp02.table mavricUtilities2.table

cek6smp03.table mavricUtilities3.table

cek6smp04.table mcdancoff.table

cek6smp06.table monaco.d2oSphereA.table

cek6smp07.table monaco.d2oSphereB.table

cek6smp08.table monaco.graphite.table

cek6smp09.table monaco.howitzer.table

cek6smp10.table monaco.ironSphere.table

cek6smp11.table newt1.table

cek6smp12.table newt2.table

cek6smp13.table newt3.table

cek6smp14.table newt4.table

cek6smp15.table newt5.table

cek6smp16.table nitawl.table

cek6smp18.table opus.table

cek6smp19.table origen.table

cek6smp20.table picture.table

cek6smp21.table qadcggp.table

cek6smp22.table qads.table

cek6smp23.table sas1a.table

cek6smp24.table sas1b.table

cek6smp25.table sas1c.table

cek6smp26.table sas1d.table

cek6smp27.table sas1e.table

cekenova.table sas1f.table

cekenovi.table sas1g.table

centrm-activity.table sas1h.table

centrm-boundary.table smores_evref.table

centrm-dancoff.table smores_maxk.table

centrm-double_het.table smores_minmas.table

centrm-libraries.table starbucs1.table

centrm-options.table starbucs2.table

centrm-pwr.table starbucs3.table

centrm-thermal.table starbucs4.table

centrm-transport.table starbucs5.table

couple.table starbucs6.table

csas5_1.table toc.table

csas5_2.table triton1.table

csas5_3.table triton10.table

csas5_4.table triton11.table

csas5_5.table triton12.table

csas5_6.table triton2.table

csas5_7.table triton3.table

csas5_8.table triton4.table

csas6_1.table triton5.table

csas6_2.table triton6-1.table

csas6_3.table triton6.table

csas6_4.table triton7.table

csas6_5.table triton8.table

csas6_6.table triton9.table

csas6_7.table tsar-1.table

csas6_8.table tsar-2.table

ice.table tsunami-1d1.table

k5smp01.table tsunami-1d2.table

k5smp02.table tsunami-1d3.table

k5smp03.table tsunami-1d4.table

k5smp04.table tsunami-1d5.table

k5smp05.table tsunami-1d6.table

k5smp06.table tsunami-1d7.table

k5smp07.table tsunami-1d8.table

k5smp08.table tsunami-1d9.table

k5smp09.table tsunami-3d-summary.table

k5smp10.table tsunami-3d_k5-1.table

k5smp11.table tsunami-3d_k5-2.table

k5smp12.table tsunami-3d_k5-3.table

k5smp13.table tsunami-3d_k5-4.table

k5smp14.table tsunami-3d_k6-1.table

k5smp15.table tsunami-3d_k6-2.table

k5smp16.table tsunami-ip.table

k5smp17.table tsurfer.table

k5smp18.table util.table

k5smp19.table xsdose.table

k5smp20.table xsdrn.table

k5smp21.table xseclist.table

./scale6.1/script:

linux_x86_64-cmake_MPI

./scale6.1/smplprbs:

Nix Windows

./scale6.1/smplprbs/Nix:

cooper_bwr.inp

./scale6.1/smplprbs/Windows:

cooper_bwr.inp origen.input triton6-1.input

opus.input toc.input

./scale6.1/src:

CMakeLists.txt couple mavricUtilities runner

DataComm dbcf miplib samslib

basicGeom defBlock monaco scalelib

bonamist driver newt triton

cajun jDebug origen tritonlib

centrm kenovi reorg

./scale6.1/src/DataComm:

AllocateArrays_M.f90 MPI_FC.f90

AllocatePointers.f90 PTimer.cpp

CMakeLists.txt PTimer.h

Constants.f90 Ppanalysis.cpp

DataBuffer_M.f90 Ppanalysis.h

DataCommIO_M.f90 TimerClass_M.f90

DataComm_config.h.in Tribits

DataPackUnpack_M.f90 getTimeofDay.cpp

Data_Types.f90 getTimeofDay.h

ETimer.cpp omp_M.f90

ETimer.h

./scale6.1/src/DataComm/Tribits:

CMakeLists.txt cmake tests

./scale6.1/src/DataComm/Tribits/cmake:

DataComm_config.h.in Dependencies.cmake

./scale6.1/src/DataComm/Tribits/tests:

CMakeLists.txt

TstAllocateArrays.f90

TstAllocatePointers.f90

TstDataBuffer_M.f90

TstDataBuffer_M_put_get_CHAR.f90

TstDataBuffer_M_put_get_INT4.f90

TstDataBuffer_M_put_get_INT8.f90

TstDataBuffer_M_put_get_LOGIC.f90

TstDataBuffer_M_put_get_REAL4.f90

TstDataBuffer_M_put_get_REAL8.f90

TstDataPackUnpack_CHAR.f90

TstDataPackUnpack_INT4.f90

TstDataPackUnpack_INT8.f90

TstDataPackUnpack_LOGIC.f90

TstDataPackUnpack_M.f90

TstDataPackUnpack_M_sendrecv-1.f90

TstDataPackUnpack_M_sendrecv-2.f90

TstDataPackUnpack_M_sendrecv-3.f90

TstDataPackUnpack_REAL4.f90

TstDataPackUnpack_REAL8.f90

TstTimerClass.f90

./scale6.1/src/basicGeom:

CMakeLists.txt

./scale6.1/src/bonamist:

arenko.f90 pxcalc.f90

./scale6.1/src/cajun:

cajun.f90 reader.f90

./scale6.1/src/centrm:

pxtsor_I.f90

./scale6.1/src/couple:

ampxl.f90 pool.f90

./scale6.1/src/dbcf:

CMakeLists.txt Tribits

DBCF.h dbcf_config.h.in

DBCF_M.f90

./scale6.1/src/dbcf/Tribits:

CMakeLists.txt cmake tests

./scale6.1/src/dbcf/Tribits/cmake:

Dependencies.cmake dbcf_config.h.in

./scale6.1/src/dbcf/Tribits/tests:

CMakeLists.txt dbcf_require_quoted_tester.f90

dbcf_assert_tester.f90 dbcf_require_tester.f90

dbcf_check_tester.f90 dbcf_tester.f90

dbcf_ensure_tester.f90 sample_dbc_subroutine.f90

./scale6.1/src/defBlock:

distribution.f90

./scale6.1/src/driver:

CMakeLists.txt modnam_util_M.f90.in

cntrlr_I.f90 process_time_I.f90

getmdl_I.f90 scale.f90

modnam_I.f90 scale_driver_config.h.in

./scale6.1/src/jDebug:

CMakeLists.txt Tribits jconfig.h.in jdebug.h

./scale6.1/src/jDebug/Tribits:

CMakeLists.txt cmake tests

./scale6.1/src/jDebug/Tribits/cmake:

Dependencies.cmake jconfig.h.in

./scale6.1/src/jDebug/Tribits/tests:

CMakeLists.txt jdebug_test.cpp

jdebug_fortran_test.f90

./scale6.1/src/kenovi:

track_I.f90

./scale6.1/src/mavricUtilities:

mim2wwinp.f90

./scale6.1/src/miplib:

mip_defaults_M.f90

./scale6.1/src/monaco:

extendedTally.f90 sourceGeomCuboid.f90

meshSourceHelper.f90 sourceGeomCylinder.f90

meshSourceSaver.f90 sourceGeomSphere.f90

source.f90 tally.f90

sourceGeom.f90

./scale6.1/src/newt:

cellwt2d.f90 read_array.f90

input.f90 readgeom.f90

module_xndata.f90 stopit.f90

./scale6.1/src/origen:

flxdi3.f90 matrex.f90 xterm.f90

./scale6.1/src/reorg:

ascii_to_binary.f90 binary_to_ascii.f90

./scale6.1/src/runner:

CMakeLists.txt RunnerGlobals_M.f90

Runner.f90 RunnerIO_M.f90

RunnerComm_M.f90 RunnerMessageRecord_M.f90

RunnerDataPackUnpack_M.f90 RunnerMessages_M.f90

RunnerDefaults_M.f90 RunnerTimer_M.f90

RunnerErrors_M.f90 RunnerUtils_M.f90

RunnerExecRecord_M.f90 Runner_config.h.in

RunnerFileRecord_M.f90 signal_M.f90

./scale6.1/src/samslib:

allocate_sensitivities.f90 implicit_sensitivities.f90

compute_sensitivities.f90 output_results.f90

get_input.f90

./scale6.1/src/scalelib:

CMakeLists.txt getnam.cpp

getnam.h getnam_I.f90

jobnum_I.f90 Vcdata_M.f90

./scale6.1/src/triton:

triton.f90

./scale6.1/src/tritonlib:

depletionsetup.f90 savexndata.f90

getvals.f90 scale_module.f90

handlparm.f90 sequencer.f90

init.f90 tparam_I.f90

librarian.f90 tritdirect.f90

pointer_module.f90 triton_module.f90

rdtrace.f90

Appendix A

Validation of New ORIGEN Libraries (decay data, fission yields) in SCALE 6.1.2

Ian Gauld, Marco Pigni, Germina Ilas and Doro Wiarda

An error was identified in the ENDF/B-VII.0 nuclear decay data for ²³⁴Th, which was used as the source of data to generate the ORIGEN decay library distributed with SCALE 6.1. A review of the problem identified that the error was introduced in the evaluated ENDF/B-VII.0 decay sublibrary, released by the National Nuclear Data Center (NNDC) in December 2006. The NNDC confirmed the problem and recently released an updated decay library with ENDF/B-VII.1 (November 2011). The error is observed primarily for problems involving the decay of ²³⁸U. The gamma ray spectrum obtained using ENDF/B-VII.0 data is significantly over estimated, caused primarily by incorrect branching of ²³⁴Th beta decay to ²³⁴Pa. Additional information on the errors in the ENDF/B-VII.0 decay evaluations, and improvements for ENDF/B-VII.1, are posted on the NNDC website.

Further review of the decay data identified systematic errors in decay schemes for the actinides and the recoverable decay energy values. Problems were also observed in many short-lived fission products, although the impact on most typical spent fuel calculations was relatively minor. The most significant impacts of the decay errors observed in typical applications are illustrated. Figure 1 shows the gamma ray spectrum for ²³⁸U decay obtained using ENDF/B-VI, -VII.0, and –VII.1 decay sublibraries, and the significant overprediction of the gamma intensities observed with ENDF/B-VII.0. Figure 2 shows the fission product energy release (total and gamma components) for short times after a single pulse fission using the same sublibraries. Although the total energy release (decay heat) is not impacted significantly, the gamma component shows significant discrepancies.

Figure 1. γ-ray spectra calculated for the radium decay series (4n+2) using ENDF/B-VI.8, –VII.0 and –VII.1 and several gamma ray libraries based on ENDF/B-VII.1 and NuDat.

Figure 2. Total and γ-ray energy release following the fission of ²⁴¹Pu calculated using ENDF/B-VI.8, –VII.0 and –VII.1 with comparison to experimental data.

The new ENDF/B-VII.1 decay sublibrary was used to generate an updated ORIGEN decay library provide in the SCALE 6.1.2 patch. The ENDF/B-VII.1 decay sublibrary included several major changes from the –VII.0 version, including the elimination of isomeric nuclides with half lives < 1 ms and the introduction of new metastable states and several new decay modes.

The following nuclides were added to the ORIGEN decay library from ENDF/B-VII.1:

ZAID=310721 ^72mGa

ZAID=320731 ^73mGe

ZAID=400901 ^90mZr

ZAID=410901 ^90mNb

ZAID=410941 ^94mNb (previously in fission product library but missing from light element library)

ZAID=601411 ^141mNd

ZAID=711721 ^172mLu

ZAID=721771 ^177mLu

ZAID=791971 ^197mAu

ZAID=922351 ^235mU

ZAID=952461 ^246mAm

ZAID=511291 ^129mSb

The following nuclides, all decaying by isomeric transition (IT), were removed in ENDF/B-VII.1 and therefore from the ORIGEN decay library:

ZAID=511151 ^115mSb (T_1/2 < 1 ms)

ZAID=641531 ^153mGd (T_1/2 < 1 ms)

ZAID=791991 ^199mAu (T_1/2 < 1 ms)

Several exotic decay modes, new to the ENDF/B-VII.1 decay sublibrary, are not currently recognized in the ORIGEN decay library formats. Decay modes of b-2n, b-3n, and b-4n were assigned as b-n to satisfy the requirement that the sum over all branches is unity. The branching fractions for these decay modes are generally very small and do not have a significant impact on the fission product decay schemes.

The change in the nuclides included in ENDF/B-VII.1 and the ORIGEN decay library required that both the ORIGEN fission yield library and the gamma library also be updated for consistency. The fission yield data were developed from ENDF/B-VII.0, the same evaluation used in SCALE 6.1. It was noted that ENDF/B-VII.1 updated the fission yields for ²³⁹Pu, however these were not adopted due to lack of experience using these data. The ENDF/B-VII.1 decay sublibrary included gamma and X-ray emissions, which were omitted in the –VII.0 sublibrary used in SCALE 6.1. Because of the absence of gamma ray data in ENDF/B-VII.0, the gamma library in SCALE 6.1 was processed data from the NNDC NuDat 2.0 database. A review of the gamma data in ENDF/B-VII.1 found the data to be very reliable and in some cases more up to date and comprehensive than the NuDat 2.0 data. Therefore, the gamma library in the SCALE 6.1.2 update is based on ENDF/B-VII.1, replacing data from NuDat 2.0 previously used to generate the gamma library for SCALE 6.1. The ENDF/B-VII.1 decay sublibrary includes gamma data for some nuclides that are based on theoretical models (NuDat included only experimental data) as continuum spectra. For application to the ORIGEN gamma library, these continuous energy spectral data was discretized into energy bins.

A comprehensive testing effort was initiated to benchmark the performance of the new decay, fission yield, and gamma libraries to also assess the impact of the data changes compared to the libraries released in SCALE 6.1. The results of the testing are summarized below.

Test/validation cases

1)Actinide decay series – The activities and gamma ray spectra for the thorium (4n), neptunium (4n+1), radium (4n+2), and actinium (4n+3) decay series;

2)Energy release following fission – Total and gamma energy release following fission of ²³³U, ²³⁵U, ²³⁹Pu, ²⁴¹Pu, and ²³²Th were evaluated for decay times after fission between 0.1 s and 10⁵ s, with comparison to experiments;

3)Gamma spectrum following ²³⁵U fission – Comparison of gamma libraries for fission product decay from 1 s to 30 years after fission;

4)Pin depletion – CaseC ( 44/t) of OECD/NEA credit benchmark phase I-B; use to carry out fast verifications;

5)Assembly depletion – Benchmark based on destructive isotopic assay data for six PWR spent fuel samples that cover the range 27-71/MTU; three samples from Calvert Cliffs MKP109 fuel rod; three samples from fuel rod;

6)Decay heat applications – Benchmark based on full-length assembly measurements at CLAB/Switzerland for six PWR15x15 assemblies.

Findings

1)Only the radium series (shown in Figure 1) showed any significant difference due to the corrected ²³⁴Th decay scheme. Some differences were also observed for the neptunium series for > 1 MeV. This change was associated with new evaluated data in the ENDF/B-VII.1 gamma library.

2)As illustrated in Figure 2, the total energy release (decay heat) is generally well predicted by all libraries. Comparison with the ANS-5.1-2005 standard shows similar good agreement in fission product decay heat power up to 300 years. The gamma energy release calculated using ENDF/B-VII.0 is observed to be up to 15% lower than experiment and other evaluated decay over times of the experimental measurements.

3)The fission product gamma spectra show good agreement between libraries. The newer ENDF/B-VII.1 gamma library tends to predict slightly greater intensities at high energy, > 2 MeV, due to augmentation of the library with data from theoretical models where measurements are not available.

4)Very small effects on eigenvalue are observed during typical depletion calculations – maximum difference in k- for depletion of 71/t sample was 75.

5)Effect on isotopic composition prediction as a function of , based on 71/t sample depletion, for ~50 isotopes of most importance for spent fuel applications, comparing isotopic content calculated with the new and old decay libraries at discharge.

• The largest difference is observed for ²³⁵U. This change resulted from the addition of ^235mU isotope in the ENDF/B-VII.1 based library and improved modeling of the reaction and decay transitions leading to the production of ²³⁵U. The changes in the library lead to increases in ²³⁵U content of up to about 1% for typical irradiated fuel burnups.
• At discharge , differences for the other considered isotopes are less than 0.5%, as follows:
  • < 0.25% for U isotopes
  • < 0.2% for Pu isotopes
  • < 0.4% for Am isotopes
  • < 0.5% for Cm isotopes
  • < 0.2% for Nd isotopes
  • < 0.4% for Cs isotopes
  • < 0.2% for Sm isotopes
  • < 0.5% for Eu and Gd isotopes
  • < 0.5% for Tc-99, Ru-106, Rh-103, Sb-125

6)Effect on isotopic composition prediction – comparison to measurement data (decay time after discharge between 4.5 and 12.7 ) for Calvert Cliffs and samples

• Performance in isotopic composition predictions similar on average between the old and new libraries;
• Difference in old and new estimations for the Calvert Cliffs samples is less than 0.4% for all 30 isotopes considered (results summarized in Table 1).
• Difference in old and new estimations for the Gosgen high burnup samples is less than 0.5% for all 51 isotopes considered, except for ²³⁵U (max 1.6%), ²⁴²Cm (max 0.6%) and ¹⁰⁶Ru (max 2.2%).
• The difference in the ¹⁰⁶Ru estimated at 1650d after discharge (sample measurement time) has been identified to have as a major source the change in the half-life for this isotope (373.6d in VII.0 vs 371.8d in VII.1). This half-life difference leads to a lower isotopic content (1.5% less) calculated with VII.1 vs. VII.0 at 1650d decay time.

7)Effect on isotopic composition prediction as a function of for all isotopes in the ENDF/B-VII SCALE library, based on OECD/NEA Case C testing (maximum 44/t)

• Differences in calculated isotopic content is > 1% for 23 isotopes, 1 actinide (²³⁵U difference 1%) and 22 fission products;
• Differences in calculated isotopic content is > 5% for 11 isotopes of Cs, I, Kr, Sn, Te, Xe;
• Differences in calculated isotopic content is > 10% for 5 isotopes – Te-129m, Te-127m, Sn-123, Sn-125, and Kr-85;
• Most of these nuclides have very low content. For the nuclides for which differences are larger than 1% at maximum burnup, number densities are on the order of 10^-6 atoms/b-cm or less, with many smaller than 10^-7 atoms/b-cm;
• It was identified that most of the observed differences are due to changes in the decay chains for A=129, 127; for some isotopes, there is no b- decay leading to a daughter in metastable state in VII.0, whereas in VII.1 this is present – therefore these changes appear consistent with the nuclear decay data;

8)Effect on decay heat predictions at long decay times (20-22 ), based on comparison to CLAB calorimeter measurement data.

• Difference in decay heat calculated with the new and old libraries is < 0.2%;
• The average over all assemblies of C/E is 0.996 for the old libraries and 0.994 for the new libraries – very good prediction with both libraries;
• The small difference in calculated data (less than 0.2%) has been identified to be caused by different predictions of fission products (small difference though, as noted above) Ba-137m and Cs-137 (nuclides in secular equilibrium), Am-241, and Kr-85.

Table1. Effect of updated decay libraries (percent change) on Calvert Cliffs spent fuel samples