L. Leal *Summary of the presentations given by D. Wiarda on PUFF-IV developments

Covariance Processing at Covariance Processing at ORNL Using ORNL Using

PUFF-IV/ERRORJ Code*PUFF-IV/ERRORJ Code*

JEFF/EFF MeetingNovember 20-22, 2006

NEA, Issy-les-Moulineaux, France

L. Leal

*Summary of the presentations given by D. Wiarda on PUFF-IV

developments

OAK RIDGE NATIONAL LABORATORYU. S. DEPARTMENT OF ENERGY

PUFF Developed in 1970s to Process ENDF/B-IV Uncertainty Data (FORTRAN-IV; IBM 360/370)

PUFF-II Developed to Process ENDF Data through Version V (FORTRAN-IV; IBM 3033)

PUFF-III:

Process ENDF Data through Version VI

Added to AMPX

PUFF-IV

Rewritten in FORTRAN 90 to allow for a more modular design

Add full processing of File 32 resonance parameter covariance data

Process ENDF/B-VII uncertainty data

BACKGROUNDBACKGROUND


File 1: General informationFile 1: General information

File 2: Resonance parametersFile 2: Resonance parameters

File 3: Point-wise reaction cross sectionsFile 3: Point-wise reaction cross sections

File 31: Data covariance for nu(bar)File 31: Data covariance for nu(bar)

File 32: Covariance data for resonance parametersFile 32: Covariance data for resonance parameters

File 33: Data covariance for reaction cross sectionsFile 33: Data covariance for reaction cross sections

ENDF File Structure


LRU = 1 Resolved resonance region

LRF parameter representationLRF=1,2: Single- or Multi-Level Breit-Wigner LRF= 3: Reich Moore;LRF= 4: Adler-Adler;LRF=5,6: Not defined;LRF= 7: General R-matrix*

*Not yet available in ERRORJ

LRU = 2 Unresolved resonance region (very poor covariance representation)

Covariance Data Storage Formats:LCOMP = 0 variance give but no covariance between resonances

are allowedLCOMP = 1 entire covariance data given;LCOMP = 2 entire covariance data given in the compact format*


<Mt=102;MT=102>

<Mt=1;MT=1>

<Mt=2;MT=2>

232Th

Uses LCOMP=2 covariance matrix in range [1x10-5,4000] (resolved resonance range)


<Mt=1;MT=1>

<Mt=2;MT=2>

<Mt=102;MT=102>

232ThUnresolved parameter covariances given in range [4000, 1x105 eV].Covariance data can be given for up to 5 parameters per resonance. For 232Th fission width and competitive reaction width are not used


1 2 5 17 18 51 102 452 456 801 851 852 853 854 855Au 197Bi 209Th 232

U 235U 238

File 32 exists

Matrix exists

Covariance matrices with equal MAT and MT values

Create Covariance Matrices with PUFF-IV and ERRORJ

PUFF-IV and NJOY/ERRORJ used to process ENDF-VII-B2 library files containing covariance data on File 31, 32 and/or File 33.

Calculations were done at T=0 K for PUFF-IV and T=1.1 K for NJOY/ERRRORJ


1 2 4 5 16 22 28 51 102 103 105 107 800 801Li 6

Li 7

B 10C

F 19Na 23

Ti 48

VCo 59

Ni 58

Nb 93Gd 152

Gd 153Gd 154

Gd 155

Gd 156Gd 157

Gd 158

Gd 160

Covariance matrices with equal MAT and MT values File 32 exists

Matrix exists


7Li, MAT=328PUFF-IV

Lists all possible covariance matricesIssues warning that some cross section

data are not availableSkips calculation of matrices that cannot

be evaluated

ERRORJAborts since constituents of lumped

reaction not found.Runs through if all reverences to lumped

reaction 851 are deleted from ENDF file.

7Li File 33 content

MT1=1, MAT1=328

NI: lb = 5, asymmetric

MT2=851, MAT2=328: 1 NI

MT1=2, MAT1=328

NC: lty = 0: 1, 4, 851

MT2=851, MAT2=328:NI, NC

NI: lb = 6

MT1=4, MAT1=328


MT2=851, MAT2=328: 1 NI

MT1=102, MAT1=328


MT2=851, MAT2=328: 1 NI

Missing, (present in ENDV-VI)

MT=16, MAT=328, component of MT=851MT=16, MAT=328, component of MT=851

MT=24, MAT=328, component of MT=851


MT1=452, MAT1=9040

NI: lb = 1

MT2=452, MAT2=9040: 2 NI


NI: lb = 4

MT2=452, MAT2=1380: 1 NI

NI: lb = 3

MT2=452, MAT2=1381: 1 NI

NI: lb = 3

MT2=452, MAT2=1395: 1 NI

NI: lb = 3

MT2=456, MAT2=1398: 1 NI

NI: lb = 3

MT2=452, MAT2=1399: 1 NI

232Th File 31 content

ENDF-V MAT

ENDF-V MAT

ENDF-V MAT

ENDF-V MAT

ENDF-V MAT

232Th, MAT=9040PUFF-IV

Lists all possible covariance matrices

Issues warning that some cross section data are not available

Skips calculation of matrices that cannot be evaluatedNJOY

Fails to skip over File 6 while executing groupr.

Runs through once File 6 is deleted (not used for File 31, 32 or File 33 covariance calculation)

ERRORJFails to skip over File 6 while

executing groupr if processing File 31.

Runs through once File 6 is deleted (not used for File 31 covariance calculation).

Skips calculation of matrices that cannot be evaluated


235U, MAT=9228PUFF-IV

Lists all possible covariance matrices

Issues warning that some cross section data are not available

Skips calculation of matrices that cannot be evaluated

ERRORJSkips calculation of matrices

that cannot be evaluated

MT1=452, MAT1=9228

235U File 31 content

ENDF-V MAT

ENDF-V MAT

ENDF-V MAT

ENDF-V MAT

ENDF-V MAT

NI: lb = 3

MT2=452, MAT2=1380: 1 NI

NI: lb = 2

MT2=452, MAT2=1381: 1 NI

NI: lb = 3

MT2=452, MAT2=1390: 1 NI

NI: lb = 3

MT2=456, MAT2=1398: 1 NI

NI: lb = 2

MT2=452, MAT2=1399: 1 NI


ENDF-VII-B2 standard filesStandard files contain standard reaction covariance matrices. The same matrices are expected to be present in the neutron library files.

Neutron library file

Standard file

6Li

<MT=105;MT=105>

<MT=105;MT=105>

C - <MT=2;MT=2> x

197Au <MT=1;MT=1> <MT=102;MT=102>

x

235U <MT=452; MT=452><MT=456; MT=456>

<MT=18;MT=18> x

238U - <MT=18;MT=18> x


ENDF MAT with problems in NJOY/ERRORJ

6LiERRORJ constructs a union grid with too many energy

boundaries and energy boundaries out of order.This was fixed in ERRORR. If the same fix is applied in

ERRORJ, the covariance data can be calculated

23NaENDF file contains only a File 32 and no File 33. ERRORJ only

processes File 32 if a File 33 is present.


How to obtain codeHow to obtain code

Puff is available from RSICC at http://www-rsicc.ornl.gov

Radiation Safety Information Computational Center (RSICC)P.O. Box 2008, Oak Ridge, TN 37831-6362 USA

The PUFF-IV package Code Number:P00534.

Documents

L. Leal *Summary of the presentations given by D. Wiarda on PUFF-IV developments