JEFFDOC-1160
Transport and Activation files
processing with NJOY-99
J-Ch. Sublet & C Jouanne1
CEA Cadarache, DEN/DER/SPRC,13108 St Paul Lez Durance, France
1 CEA Saclay, DEN/DM2S/SERMA, 91191 Gif-sur-Yvette, France
A Tale of the
unexpected
1
The main libraries; neutron and gamma
JENDL-3.3/GP
337 isotopes (2 elements)
JEFF-3.1/GP
JEFF-3.1/Th
JEFF-3.1/A
381 isotopes (7 elements)
9 compounds
774 isotopes
ENDF/B-VII/GP
ENDF/B-VII/Th
ENDF/B-VII/Ph
393 isotopes (3 elements)
20 compounds
163 isotopes
+ CENDL, BROND, …
+ special purpose files, proton, deuteron, ..
+ “preliminary” evaluations
2
The codes: Monte Carlo and deterministic
The word “processing” encompasses a large set of processes
not all equivalent nor identical to one another
Not all Monte Carlo codes read in and/or need the same set of
data or files, the processing level may differ
 COG, MERCURY, MONK, MCBEND, MCNP5, MCNPX, TART,
TRIPOLI, VIM, etc…
Not one cell or lattice codes use the same input libraries
 APOLLO, CASMO, DRAGON, ERANOS, PANTHER, SCALE,
TORT, DORT, WIMS, etc…
Different modules, sequences, parameters are used every time
3
Monte Carlo processing
 TRIPOLI-4.4.1: Monte Carlo, pointwise or groupwise
BROADR PENDF or GROUPR GENDF
CALENDF probability tables in the URR
293.6, 300, 473.6, 600, 673.6, 873.6, 900, 1073.6,
273.6, 1473.6, 1673.6, 1873.6K
Modified THERMR
“TRIPOLI-4.4 JEFF-3.1 Based Libraries” CEA-R-6125
 MCNP4c3&5: Monte Carlo, pointwise + Photonuclear (ENDF/B-VII)
ACER PENDF
PURR probability tables in the URR
293.6, 300, 473.6, 600, 673.6, 873.6, 900, 1073.6,
273.6, 1473.6, 1673.6, 1873.6K
THERMR (up113, continuous secondary-energy distribution
not yet plugged in)
“MCNP4c JEFF-3.1 Based Libraries” CEA-R-6110
4
Deterministic processing
 ERANOS2: 3D deterministic code, fast
NJOY GENDF* (+ MF-50) ( MERGE & GECCO)
ecco 1968, Xmas 172, VitJ 175, ecco 33 groups structures
293.6, 573.6, 973.6, 1473.6, 2973.6K
CALENDF probability tables (MF-50 in all energy ranges)
P0-P1 to P5
“ECCOLIB-JEFF-3.1 Libraries” CEA-R-6100
 APOLLO2: 2D deterministic cell code
NJOY GENDF* (+ as/afend,) up to 50 dilutions (LIBNJ90 & N2A2)
Universal 11276, Xmas 172, SHEM 281 groups structures
273.6, 293.6, 573.6, 773.6, 973.6, 1473.6, 2273.6, 3473.6K
CALENDF probability tables (self shielding & mutual shielding)
P0-P1 to P5
 DARWIN: activation/transmutation code
NJOY GENDF
300 & 923K
3, ecco33, sailor47, GAM-II 100, Xmas 172, 315 groups structures
5
Tripoli-4.4.1, specific processing
 Treatment of thermal neutron scattering data, scattering kernels
in THERMR
 Modification: results in terms of equi-probable cosines instead of
equi-probable angles, this is not an update
 With 32 cosines, done in up124
 MT’s 221 and 222 hard coded
 CALENDF-2005 probability table in, and only, the URR
 addition of probability tables in the URR of each isotopes that
contained one
– 140 in JEFF-3.1
– 252 in ENDF/B-VII
– 209 in JENDL-3.3
 PURR and CALENDF PT’s differs (order, steps, production
methods, scope, …
6
Pointwise cross section comparison: total
A Cubic interpolation
requires less points
than a linear one
But many more points
exists in the CALENDF
pointwise file in the URR,
# smooth NJOY data
CALENDF 115156 pts
NJOY 72194 pts
PT’s 11276 Gprs
7
PT’s impact on the ICSBEP benchmarks
Excellent way to
test the influence
of the URR
PT’s 11276 Gprs
2-3000 groups in
The URR
Specifications to ICSBEP NEA/NSC/DOC(95)03
September 2005 Handbook Edition
Code
Tripoli-4.4.1
Library
JEFF-3.1
Experiment
Calculation
ICSBEP
Fast
IMF-007
Keff
Unc.
Keff
S.D.
Big Ten deta.
1.0045
70
0.99863 13
simp.
1.0045
70
0.99790 13
Δ (C-E)
-623
t.z.h.
0.9948
130
0.98830 12
Δ (C-E)
-650
IMF-012
ZPR(16%) c-1
1.0007
270
1.00261 13
Δ (C-E)
191
IMF-10
ZPR-U9 c-1
0.9954
240
0.99181 12
Δ (C-E)
-359
IMF-002
c-1
1.0000
300
0.99216 10
Δ (C-E)
-784
IMF-001
Jemima c-2
1.0000
120
0.99837 12
c-3
1.0000
100
0.99741 12
c-4
1.0000
100
0.99850 12
Average
0.99809
Δ (C-E)
-191
Δ PT's
Whitout PT
Keff
S.D.
0.99415 13
0.99337 12
-1074
0.98435 12
-1045
0.99959
-111
13
0.98640
-900
12
0.99223
-777
10
0.99868
0.99835
0.99905
0.99869
-131
13
12
12
450
395
302
541
6
60
8
Tripoli-4.4.1 Libraries, internal processing
TRIPOLI-4.4.1 generates XDR portable binary and angular
distribution files the first time it reads in a PENDF and
and an ENDF file
Seven File Types are used :
1. Evaluation (ascii)
2. PENDF (binary)
3. Dictionary of cross sections (ascii)*
4. Binary XDR pointwise file*
*: generated by TRIPOLI
5. Anisotropy file (ascii)*
the first time it access the
6. Probability tables (ascii)
data file.
7. Thermal file (ascii)
140 URR JEFF-3.1
252 URR ENDF/B-VII
Tests for evaluations :
ENDF-102 format
Normalization (angular and energetic distribution)
9
TRIPOLI-4.4.1, angular distribution
 The angular distribution is computed by TRIPOLI-4.4.1 the first
time a pendf file is accessed and the code require to be linked to
the original endf file
 The computed angular distribution is variable, file dependant
and can contain up to 256 equally probable cosine bins
 For the JEFF-3.1 U238 the angular distribution have been
produced by the ECIS optical model code and tabulated in 91
bins from 0 to 180 degree. It is used as such by TRIPOLI-4.4.1
 Elastic and inelastic channels structures are preserved
 It is a much better representation than in Legendre coefficients,
but not strictly identical to a 64 bins uniform processing (MCNP)
10
QA: MT=2 Angular distribution
11
NJOY-99.112+ modules processing scheme
Evaluations
NJJOY-99.112+
Modules
moder
reconr
broadr
unresr
moder
thermr+
moder
Main parameters
err = 0.001 (0.1%)
errthn = 0.001
Outputs
Thermal quantities
pendf files
nbin = 32 tol = 0.001 emax = 4.95
One single C-shell scripts
Tripoli-4.4.1 library
12
NJJOY-99.161
NJOY-99.161 modules processing scheme
Modules
Main parameters
reconr
broadr
unresr
moder
thermr
heatr
purr
gaspr
viewr
moder
acer
acer
viewr
err = 0.001 (0.1%)
errthn = 0.001
Outputs
Thermal quantities
pendf files
nbin = 16 tol = 0.001 emax = 4.0
mtk = 302 303 304 318 402 443 444
nbin = 20 nladr = 64
mt = 203-207
QA graphs
newfor = 1 iopp = 1
iopt = 7
Ace files
QA graphs
MCNP4c3&5 library
13
QA Graphs and thermal quantities
NJOY-99
Inter 7.0 or NJOY-99 Broadr
Reaction
Sig(2200)
Sig(Ezero)
Avg-Sigma
G-fact
Res Integ
Total
Elastic
Inelas
n,2n
n,3n
Fission
n,gamma
1.2120E+01
9.4372E+00
1.2118E+01 1.3331E+01
9.4372E+00 1.0645E+01
1.10072 5.9244E+02
1.12879 3.1729E+02
1.8051E-01
2.6506E-05
2.6830E+00
2.6487E-05 2.6511E-05
2.6811E+00 2.6863E+00
1.00091 1.2173E-03
1.00197 2.7497E+02
Sig(Fiss)
Sig(E14)
7.8987E+00
4.9254E+00
2.5838E+00
1.7891E-02
1.4607E-04
3.0150E-01
6.9831E-02
5.9446E+00
2.7660E+00
5.9802E-01
9.0000E-01
5.0413E-01
1.1740E+00
2.5140E-03
14
QA Graphs
15
QA graphs, Photonuclear gamma files: pendf
16
QA Benchmarking (independent)
Regardless of the evaluations quality the same information is extracted from the data
17
file with two different Monte Carlo code on very different benchmarks
Reaction types and MT’s in EAF-2005/A
Reaction type MT number Reaction type MT number
11
170
(n,2nd)
(n,5nd)
23
171
(n,6nd)
(n,n΄ )
30
172
(n,3nt)
(n,2n2)
35
173
(n,4nt)
(n,n΄ )
36
174
(n,5nt)
(n,n΄ )
42
175
(n,3np)
(n,6nt)
44
176
(n,n΄
(n,2nh)
45
177
(n,3nh)
(n,n΄ )
109
178
(n,4nh)
(n,3)
113
179
(n,3n2p)
(n,t2)
114
180
(n,d2)
(n,3n2)
115
181
(n,pd)
(n,3np)
116
182
(n,pt)
(n,dt)
183
- 117 (n,n΄
(n,d)
152
184
(n,5n)
(n,n΄
153
185
(n,6n)
(n,n΄
154
186
(n,2nt)
(n,n΄
155
187
(n,n΄
(n,t)
156
188
(n,4np)
(n,n΄
157
189
(n,3nd)
(n,n΄ )
158
190
(n,2n2p)
(n,n΄ )
159
191
(n,ph)
(n,2np)
160
192
(n,7n)
(n,dh)
161
193
(n,8n)
(n,h)
162
194
(n,5np)
(n,4n2p)
163
195
(n,6np)
(n,4n2)
164
196
(n,7np)
(n,4np)
165
197
(n,3p)
(n,4n)
166
198
(n,n΄
(n,5n)
167
199
(n,6n)
(n,3n2p)
168
200
(n,5n2p)
(n,7n)
169
(n,4nd)
3
d
2
t
2
2
p
)
p
p
d
)
p
t
)
d
t
)
p
h
)
d
h
)
t
h
)
t
d
3
p
)
Reaction Type (23)
(n,n)
(n,2n)
(n,3n)
(n,f)
(n,n)
(n,2n)
(n,3n
(n,np)
(n,n2)
(n,nd)
(n,nt)
(n,nh)
(n,4n)
(n,2np)
(n,)
(n,p)
(n,d)
(n,t)
(n,h)
(n,)
(n,2)
(n,2p)
(n,p
MT
4
16
17
18
22
24
25
28
29
32
33
34
37
41
102
103
104
105
106
107
108
111
112
ENDF-102 MT: 1 …117
new MT: 152…200
declared unassigned
18
MT Values
- Grid of reactions including all 36 MT numbers defined in ENDF
and some defined in EAF-2005
Z
N-7
(n,8n)
161
N-6
(n,7n)
160
N-5
(n,6n)
153
N-4
(n,5n)
152
(n,4na)
165
(n,3na)
25, 200
(n,2n2a)
30
(n,t2a)
113,35
(n,3a)
109
(n,n2a)
29
(n,d2a)
114
Z-1
Z-2
(n,6na)
167
Z-3
Z-4
Z-5
Z-6
(n,nt2a)
36
(n,n3a)
23
N-3
(n,4n)
37
(n,2nt)
154
(n,2na)
24
(n,2npa)
159
(n,2a)
108
N-2
(n,3n)
17
(n,nt), (n,2np)
33,42
(n,n’a)
22
(n,da),(n,npa)
117,45
N-1
(n,2n)
16
(n,t), (n,nd)
105,32,41
(n,a), (n,nh)
107,34,116
(n,pa)
112
N
(n,n’)
4
(n,d), (n,np)
104, 28
(n,h), (n,pd)
106,44,115
N+1
(n,)
102
(n,p)
103
(n,2p)
111
(n,3p)
197
Classical MT’s
New MT’s
19
NJOY-99 Activation file processing
• In NJOY-99.125 reconr has been modified to handle the new
MT’s allowing pendf files generation
• NJOY-99.68 has an automatic loop (10/) that will process all the
nuclide production sections found in File 8
• Results can be extracted from the output listing or read from the
GENDF output
• MATXSR knows how to add the multiple production sections
together and generate a single production cross section for each
product
• Specialized output routines could be written for EAF
• + all fissile isotopes format changed to be handled by /10 in
JEFF-3.1/A and EAF-2005
U230 pendf file
9.223000+4 2.280580+2
0.000000+0 0.000000+0
Changed to
9.223000+4 2.280580+2
1.000000+0 0.000000+0
0
3
0
0
1
0
19213 8 18
259213 8 18
1
2
0
3
0
0
1
0
19213 8 18
259213 8 18
1
2
20
NJOY-99 processing
• Note that there may be multiple sections generating the same
ZAm, and they have to be added together for total nuclide
production
ZAm of product

2.605400+4 2.505210+5
2.931600+2 0.000000+0
4.39594+16 1.172175-7

cross section
Fe54 to Mn52m
1
2
1
1
0
2
(n,t)
12625 3105
12625 3105
2625 3105
37
38
39
• An update for groupr, matxsr, etc.. is needed for those modules to
be able to handle properly the new MT’s
21
Activation libraries: the way forward
• Elastic scattering and inelastic channels to be added, it allows to
reconstruct and compare the total with experimental data, a must ..
• Positive Q, (n,p) and (n,a) branching ratio in MF-9
• Upper energy limit; 20 Mev , 60 Mev, … 150 MeV
• MT-5/MF-6 yields
– above 60 Mev
– or for all, but the recognized ENDF-6 MT’s channels
 pure ENDF-6 format
• MT-5 and activation yields in a separate file, for each isotopes
• Deuteron, Proton, Gamma activation files
22
Activation libraries: the way forward
• Uncertainties
– In a single for EAF-2005
– MF-33 like
• + one comment line
• + isomeric MAT
Provide a measure of the accuracies without correlations
simple MF-33, groups variances without correlations
between the cross sections and/or the adjacent groups
Variable group structure
It provide a complete set of “exploitable” data for activation,
transmutation calculation uncertainties related to and uniquely
the cross sections, not the reaction rates nor the neutron flux
23
Processing pits
 If the processing fails this may be due to:
 the inputted data file (evaluation format, numeric,…
 the process code input parameter set (P9, 128 bins,…
 the processing code itself
 If it succeed it may well still fail to be interpreted properly or
adequately (i.e. negative PT’s, wrong sum, non positive coefficient,
…) but can this be spotted, checked, and finally stamped by
external verification
 But if it succeed and lead to different results (processed file) on
different platforms (computers) when using a same input deck and
evaluated file who will see it but a sturdy, exemplified, thorough QA
and issue tracker as it has been developed and openly shared at:
http://t2.lanl.gov/codes/njoy99/index.html
24
Conclusions
 NJOY is a complex code that may be dragged (less than before)
into the “grey” areas of the different OS/compilers handling of
number
 Its installation requires care and knowledge with a high level of
QA, Verification and follows up
 Its input parameter sets may influence the end results, but this is
a requirement
 There are other processing codes that can be used to ascertain
and verify some aspect of the processing
 It evolved significantly over the past years, but still requires care
and attention from its “knowledgeable” users
25
A spell, expressed during Bob’s Symposium
It has been, and still is, a rare pleasure to follow the footsteps
of such exceptional Wizard, as like to call him the man from the
Dorset shore, he used in fact the word Magician but we differ on
those delicate language manners. I would prefer the word
Enchante(u)r that suits more my mind, although who am I to spell
it with a u? any how it encompasses in many better ways all I
know he have given us. Other did say Virtuoso, Maestro …
The Old Continent still needs you Bob, and may be your last
spell of the 99 series, a 1XX should do fine. A rune that will make
happy the many few able to fell its power, and use it wisely in
accordance with your custodian masterminding.
Take pleasure in knowing that your legacy, did and will for
many years to come entice the four corners of the world, at least
the ones I know …
26