Validation of EAF-2005 (New tools for EAF-2007)

J. KopeckyJUKO ResearchThe Netherlands

TC IFMIF Meeting FZK 4-6/10/2005

EAF validation scheme (2 years) EAF starter file (previous release)EAF starter file (previous release) - Subject to

validation against all feedback information (such as diff. data, int. data, cross section systematic and comparison with other data sources (libraries); during the file assembling a number of modifications applied.

New release of EAF file - provided with quality scores (first for EAF-2003) and a complete uncertainty file (uncertainty factors based on cross section variances or their estimates).

Validation report (first for EAF-2001) – Collection of reactions provided with differential and integral data, reactions with quality scores 5 or 6. This report is released one year after EAF file release.

EAF-2005 validation results

Reactions by quality SCORES and SOURCES

Score 0 ----- 61035 TALYS-5 (5a) Score 1 ----- 111 | Score 2 ----- 797 | Score 3 ----- 52 The best available Score 4 ----- 480 | source<20 MeV + Score 5 ----- 79 | TALYS-5(5a)>20 MeV Score 6 ----- 139 | Total 1-6 ----- 1658 Total 0-6 ----- 62693 (EAF-2003 –12617)

EAF-2005/2007 validation Standard validation against differential data, the most

recent data will be considered (EXFOR data base, Safepaq internal data base).

Validation against integral measurements, the integral data data base (upgrade of UKAEA FUS 500 for EAF-2003) extended by new measurements and by using a large set of older data from KfK Juelich (d-Be source).

Cross-section trend analysis (recently in SAFEPAQ-II) studying (max), E[(max)] and HWFM of the excita-tion curve as a function of A or s.

Validation against cross section systematic formulae (primarily at 14.5 MeV; (n,) at 30 keV ).

Validation against differential data

Ni-58(n,p)Co-58

Final EAF-2003.0

Cro

ss s

ection (

b)

Energy (eV)

0.0E+00

1.5E-01

3.0E-01

4.5E-01

6.0E-01

7.5E-01

0.0E+00 4.2E+06 8.3E+06 1.3E+07 1.7E+07 2.1E+07 2.5E+07

SystmSys20FRK65SAV 0TIL92KHA96 gKOS95 mOHO87RAM91LAS89ANL87LNZ92KOS 0RAB91 mRAB91 gRAB91GEL02 mAEP99RI 97 mAEP98JAE90BJG92GEL01 mLAS91GEL01KOS95KOS95 mANL91KOS91 mGEL01 mKOS95GEL02GEL01FRK65RI 97 gJAE88

old data

new data

Differential data problem

The fact that the majority of charged particle-emission reactions have their effective threshold (Q + Coul. barrier) close to 14 MeV complicates the use of 14 MeV differential data (located in the beginning of the steep slope of excitation curve) for validation or modification applications.

The main part of integral cross section for these reactions is often above 20 MeV.

Such data can be best addressed and verified in libraries with Emax > 20 MeV, e.g. such EAF.

20 MeV upper limit limitations C/E(fns_5min) = 0.934 -> 0.747 // 1.043 -> 0.404

Se-80(n,p)As-80

Final EAF-2003.0

Cro

ss s

ectio

n (b

)

Energy (eV)

0.0E+00

1.0E-02

2.0E-02

3.0E-02

4.0E-02

5.0E-02

0.0E+00 1.0E+07 2.0E+07 3.0E+07 4.0E+07 5.0E+07 6.0E+07

SystmSys20TUR67KRI04

Tl-205(n,a)Au-202

Final EAF-2003.0

Cro

ss s

ectio

n (b

)

Energy (eV)

0.0E+00

2.0E-03

4.0E-03

6.0E-03

8.0E-03

1.0E-03

0.0E+00 1.0E+07 2.0E+07 3.0E+07 4.0E+07 5.0E+07 6.0E+07

SystmSys20KOS97ARK60KRI04exp. data not to

be used for RN

(n,t) problem

Ca-40(n,t)K-38

JENDL-3.2/A ADL-3 TALYS-5a Final

Cro

ss s

ection (

b)

Energy (eV)

1.0E+00

1.0E-07

1.0E-06

1.0E-05

1.0E-04

1.0E-03

1.0E-02

1.0E-01

1.0E+07 1.8E+07 2.7E+07 3.5E+07 4.3E+07 5.2E+07 6.0E+07

SystmSys20MUA65CBR62KOS82RBZ74 gTAT68 gTUR66 gJUL73 gIRK68OTC61 gSMU79 gHAM67 g

ADL-3

TALYS, JENDL

(n,t) problem

Fe-54(n,t)Mn-52

TALYS-5a g TALYS-5am

TALYS-5atot

Cro

ss s

ectio

n (b

)

Energy (eV)

1.0E-08

1.0E-02

1.0E-07

1.0E-06

1.0E-05

1.0E-04

1.0E-03

1.0E+07 1.8E+07 2.7E+07 3.5E+07 4.3E+07 5.2E+07 6.0E+07

SystmSys20KRI04 mLNZ93RBZ74 mJUL73 mJUL73 mJUL73 gARK61 mOTC61SMU79 mTOH92 gJUL98 g

Fe-54(n,t)Mn-52

Final TALYS-5a

Cro

ss s

ectio

n (b

)

Energy (eV)

1.0E-05

1.0E-02

1.0E-04

1.0E-03

5.0E+06 1.4E+07 2.3E+07 3.3E+07 4.2E+07 5.1E+07 6.0E+07

SystmSys20KRI04 mLNZ93RBZ74 mJUL73 mJUL73 mJUL73 gARK61 mOTC61SMU79 mTOH92 g

E shift?

old data

recent Geeldata

(n,h) problem

HEPRL

other libraries

E shift

Co-59(n,h)Mn-57C

ross s

ection (

b)

Energy (eV)

1.0E-08

1.0E-01

1.0E-07

1.0E-06

1.0E-05

1.0E-04

1.0E-03

1.0E-02

1.0E+07 1.8E+07 2.7E+07 3.5E+07 4.3E+07 5.2E+07 6.0E+07

SystmRBZ74KIG84JUL74IRK65ARK62

all other evaluations

HEPRL

E-shift

(n,t)(n,h) conclusions

Need of better theoretical shape of calculated excitation functions.

Need of integral data (neutron spectra) well above 14 MeV (better above 20 MeV) in order to address the whole strength of the excitation function.

Integral data (>14 MeV)

Fzk Karslruhe cyclotron white spectrum, SS-316 measurement (spectrum fzk_ss316). U.Fischer et al., EFF-Doc-859 (April 2003).

INP Rez cyclotron spectrum (spectrum Rez_foils). P. Bem et al., NPI ASCR Rez EXP(EFDA) 08/2004.

d-Be neutron source from Juelich, measured by the group of Qaim between 1975 –1980. Published in many references. Converted in average cross sections by R. Forrest for two spectra, for deuteron energies Ed = 30 MeV (spectrum d_Be3) and 53 MeV (spectra d-Be and d-Be2). The important feature of these spectra is a negligible low energy component.

fzk_ss316 (d-Li)fzk ss316

Neutr

ons

per

energ

y in

terv

al

Neutron Energy (eV)

1.0E-17

1.0E-12

1.0E-16

1.0E-15

1.0E-14

1.0E-13

6E+071E-04 1E-03 1E-02 1E-01 1E+00 1E+01 1E+02 1E+03 1E+04 1E+05 1E+06 1E+07

fzk ss316

Neutrons per energy in

terval

Neutron Energy (eV)

1.0E-17

1.0E-12

1.0E-16

1.0E-15

1.0E-14

1.0E-13

1E+07 6E+07

14 MeV

Rez_foils (p-D2O)

Rez foilsN

eutr

ons p

er

energ

y inte

rval

Neutron Energy (eV)

1.0E+02

1.0E+05

1.0E+03

1.0E+04

1E+06 6E+071E+07

14 MeV

Ed=53 MeV (d-Be) Ed=30 MeVd-Be

Neutr

ons

per

energ

y in

terv

al

Neutron Energy (eV)

1.0E-06

1.0E-03

1.0E-05

1.0E-04

1E+07 6E+07

d-Be2

Neutr

ons

per

energ

y in

terv

al

Neutron Energy (eV)

1.0E-06

1.0E-03

1.0E-05

1.0E-04

1E+07 6E+07

d-Be3

Neutr

ons p

er en

ergy i

nterva

l

Neutron Energy (eV)

1.0E-07

1.0E-04

1.0E-06

1.0E-05

1E+06 6E+071E+07

14 MeV

Validation against integral data

Starter file = ‘Validation of EASY-2003 using integral data’ (UKAEA FUS 500, December 2003). Final table includes list of 287 validated reactions.

The draft of Final table for ‘Validation of EAF-2005’ includes total of 474 reactions.

For 47 reactions data from EAF-2003 have been improved, primarily based on a better fit with new differential data. This action resulted in C/E improvements for 41 reactions, only for 6 reactions C/E worse (see examples).

Report will be completed during this year (new integral measurement from 2005 will be also considered) and prepared for publication in December 2005. It will also serve as a basis for data improvements leading to EAF-2007.

Validation against integral data (cont.)Integral C/E for Fe-56(n,p)Mn-56

C/E

Neutron Spectrum

C/E = 0.9959C/E = 0.9727

C/E = 0.8478

C/E = 0.9593

C/E = 1.0139

C/E = 0.9710

C/E = 1.0389

C/E = 1.2265

C/E = 0.9981

C/E = 1.2585

C/E = 0.9981

C/E = 1.0338C/E = 1.0460C/E = 1.0692

C/E = 1.3742

1.03

0.97

0.70

0.90

1.10

1.30

1.50

fng_sic.asc sneg_1 fns_7hour cf252_flux_1 cf252_flux_1 cf252_flux_1 fzk_ss316fng_f82h.asc fng_vanad.asc sneg_2 fns_5min cf252_flux_1 cf252_flux_1 fzk_ss316 rez_DF

Fe-56(n,p)Mn-56

Final

Cro

ss

s

ec

tio

n (b

)

Energy (eV)

0.0E+00

3.0E-02

6.0E-02

9.0E-02

1.2E-01

1.5E-01

0.0E+00 1.0E+07 2.0E+07 3.0E+07 4.0E+07 5.0E+07 6.0E+07

SystmSys20KTO90OHO91TIL92TIL92KTO88NPT91AEP93ANL75SST87CRC64RI 78GEL00AEP98LVN00GEL00BIR76HAM62ANL75JAE93RI 97RAB91MOH82JAE88TSU84LAS58KOS80LAS67LAS58CRC64GEL66ANL75NPT91AEP89AEP89CRC64

Validation against integral data (cont.)

d-Be data of Qaim included primarily (n,t) and (n,h) reactions. For (n,t) C/E was between 0.3 and 1.8, which is a rather reasonable result, in contradiction with C/S (14.5MeV) (suggests an overesti-mation).

Since none of C/E(integral) > 2, it may be concluded that the (n,t) 14.5 MeV systematic is better not to be used. In general (n,t) data are in a reasonable agreement with both differential and integral data.

For (n,h) data is the situation more complex. Many differential data are suspiciously scattered and the integral data have often C/E <<1, the low energy slope seems to be the reason for this effect, the effective threshold is too high. The 14.5 MeV systematic is based on several measurements, which probably are more an ‘upper limit’ data. The (n,h) problem is pending at this moment and will be addressed together with A. Koning.

C/E(d_Be) = 0.65 C/E(d_Be2) = 1.31 t-counting = (n,xt) act. measur. = (n,t+)

Na-23(n,t)Ne-21

Final

Cro

ss s

ectio

n (b

)

Energy (eV)

1.0E-05

1.0E-01

1.0E-04

1.0E-03

1.0E-02

1.0E+07 1.8E+07 2.7E+07 3.5E+07 4.3E+07 5.2E+07 6.0E+07

SystmSys20LRL85 In-115(n,t)Cd-113

Final

Cro

ss s

ect

ion (

b)

Energy (eV)

1.0E-06

1.0E-02

1.0E-05

1.0E-04

1.0E-03

5.0E+06 1.4E+07 2.3E+07 3.3E+07 4.2E+07 5.1E+07 6.0E+07

SystmSys20JUL90

Reasonableagreement

(n,t) performance against integral data (n,xt) (n,t+)

C/E(d_Be2) = 0.190 C/E(d_Be2) = 6.267

Al-27(n,h)Na-25

Final

Cro

ss s

ectio

n (b

)

Energy (eV)

1.0E-07

1.0E-03

1.0E-06

1.0E-05

1.0E-04

1.0E+07 1.8E+07 2.7E+07 3.5E+07 4.3E+07 5.2E+07 6.0E+07

SystmARK60ARK62

Co-59(n,h)Mn-57

Cro

ss s

ectio

n (b

)

Energy (eV)

1.0E-08

1.0E-01

1.0E-07

1.0E-06

1.0E-05

1.0E-04

1.0E-03

1.0E-02

1.0E+07 1.8E+07 2.7E+07 3.5E+07 4.3E+07 5.2E+07 6.0E+07

SystmRBZ74KIG84JUL74IRK65ARK62

underestimatationoverestimation if exp.data 14 MeV

considered

(n,h) performance against integral data

New tool (excitation curve trend analysis) Based on the assumption that excitation curves have for all targets a

similar bell-shaped form shifted only by the differences in Q, and the quantities such as (max), E[(max)] and HWFM have a pronounced smooth trend as a function of A or (N-Z)/A.

It can be demonstrated, that the above assumption is valid and such an analysis is a very effective and novel way to validate reaction cross section data both for their shape and their magnitude.

The incorrect reaction data can be effectively spotted. The ‘format’ errors from modification procedures can be easily found. Further, more physical shortcomings can be seen too, e.g. in latest TALYS calculations it seems that targets way off the stability line sometimes give strange results, which may be due to the quality of correspon-ding input parameters taken from RIPL data bases.

New tools (cont.)

This analysis is now in progress, it has been introduced in SAFEPAQ-II just a few months ago for (max), E[(max)] and FWHM, together with the odd-even option. A possibility of deriving a trend systematic of these parameters and eventually C/T values will be considered in the future for EAF-2007.

An important result: E[(max)] for majority of charged particle emission is above 20 MeV. Only for (n,p) and (n,) reactions with A < 100 is the excitation curve maximum < 20 MeV.

Some examples will be now shown, which demonstrate some features and applicability of this analysis.

New tools (cont.)

Applications will be demonstrated on few examples: (n,2n) reaction data and (n,p) reaction data ; (n,) at 14 MeV, check of the pre-equilibrium treatment; (n,pa) from TALYS calculations.

(n,2n) (n,2n) + (n,n’p) (n,2n) for Final

Max c

ross s

ectio

n (b)

Atomic Mass (A)

1E-04

1E+01

1E-03

1E-02

1E-01

1E+00

0 50 100 150 200 250 300

(n,2n) + (n,n'p) for Final

Max c

ross s

ectio

n (b)

Atomic Mass (A)

1E-04

1E+01

1E-03

1E-02

1E-01

1E+00

0 50 100 150 200 250 300

f

i-59

Rh-99m

Co-55 (n,n’p)

Ni-59

(n,n’p)

(n,f)

(n,2n) for FinalEne

rgy at

maxim

um (eV

)

Atomic Mass (A)

0E+00

1E+07

2E+07

3E+07

4E+07

5E+07

6E+07

0 50 100 150 200 250 300

(n,2n) for Final

Width

at ha

lf-max

XS (e

V)

Atomic Mass (A)

0E+00

1E+07

2E+07

3E+07

4E+07

5E+07

6E+07

0 50 100 150 200 250 300

NiNi-57

E(th)n,2n = 14.12 MeV, E(th)n,n’p = 5.15 MeV

Co-55(n,2n)Co-54

Final

Cro

ss s

ection (

b)

Energy (eV)

0.0E+00

5.0E-03

1.0E-02

1.5E-02

2.0E-02

2.5E-02

1.0E+07 1.8E+07 2.7E+07 3.5E+07 4.3E+07 5.2E+07 6.0E+07

(n,n’p) competition

Ni-56(n,2n)Ni-55

Final

Cros

s se

ction

(b)

Energy (eV)

0.0E+00

1.0E-04

2.0E-03

3.0E-03

4.0E-03

5.0E-03

1.5E+07 2.0E+07 2.5E+07 3.0E+07 3.5E+07 4.0E+07 4.5E+07 5.0E+07 5.5E+07 6.0E+07

Ni-57(n,2n)Ni-56

Final

Cro

ss s

ectio

n (b

)

Energy (eV)

0.0E+00

8.0E-03

1.6E-02

2.4E-02

3.2E-02

4.0E-02

1.0E+07 2.0E+07 3.0E+07 4.0E+07 5.0E+07 6.0E+07

S = 0+(n,n’p)

S -> 0 +(n,n’p)

Ni-59(n,2n)Ni-58

Final TALYS-5a

Cro

ss s

ectio

n (b

)

Energy (eV)

0.0E+00

1.0E-01

2.0E-01

3.0E-01

4.0E-01

5.0E-01

5.0E+06 1.4E+07 2.3E+07 3.3E+07 4.2E+07 5.1E+07 6.0E+07

KTO90

Rh-99m(n,2n)Rh-98

Final

Cro

ss s

ectio

n (b

)

Energy (eV)

0.0E+00

2.0E+00

4.0E+00

6.0E+00

8.0E+00

1.0E+01

1.0E+07 2.0E+07 3.0E+07 4.0E+07 5.0E+07 6.0E+07

Systm

wrong RN calculational

bug

Hf-174(n,2n)Hf-173

Final TALYS-5a ADL-3

Cro

ss s

ectio

n (

b)

Energy (eV)

0.0E+00

8.0E-01

1.6E+00

2.4E+00

3.2E+00

4.0E+00

5.0E+06 1.4E+07 2.3E+07 3.3E+07 4.2E+07 5.1E+07 6.0E+07

SystmLNZ98AUW81HAR90JUL74BNL69

wrong shape

EAF-2005.1

(n,2n) + (n,n'p) for Final

Max c

ross s

ection (

b)

Atomic Mass (A)

1E-04

1E+01

1E-03

1E-02

1E-01

1E+00

0 50 100 150 200 250 300

Isomeric targetsHf-178n,Hf-179n,

Au-198m(n,3n) competition

(n,2n) + (n,f) for Final

Max

cro

ss s

ectio

n (b

)

Atomic Mass (A)

1E-04

1E+01

1E-03

1E-02

1E-01

1E+00

200 250 300

(n,2n) + (n,f)

(n,p) for FinalM

ax

cross

sect

ion (

b)

Atomic Mass (A)

1E-03

1E+00

1E-02

1E-01

0 50 100 150 200 250 300

Ge-76

Kr-76

Ge-76(n,p)Ga-76

Final ADL-3 JENDL-3.2/A JENDL-3.3 NRG-2003 TALYS-5a

Cro

ss s

ection (

b)

Energy (eV)

0.0E+00

5.0E-03

1.0E-02

1.5E-02

2.0E-02

2.5E-02

5.0E+06 1.4E+07 2.3E+07 3.3E+07 4.2E+07 5.1E+07 6.0E+07

SystmSys20OUL76NAG94

wrong shape

Kr-76(n,p)Br-76

Final TALYS-5a ADL-3

Cro

ss s

ection (

b)

Energy (eV)

0.0E+00

2.0E-01

4.0E-01

6.0E-01

8.0E-01

1.0E+00

0.0E+00 1.0E+07 2.0E+07 3.0E+07 4.0E+07 5.0E+07 6.0E+07

SystmSys20

agreement

Emin = 13 MeV test of PEQ in (n,)

(n,g) for Final

Max X

S (b)

Atomic Mass (A)

1E-04

1E-01

1E-03

1E-02

0 50 100 150 200 250 300

(n,g) for TALYS-5a

Max X

S (b)

Atomic Mass (A)

1E-04

1E-01

1E-03

1E-02

0 50 100 150 200 250 300

Np-237

Emin = 13 MeV test of PEQ in (n,)

Np-237(n,g)Np-238

Final TALYS-5a

Cross s

ection (

b)

Energy (eV)

1.0E+04

1.0E-03

1.0E-02

1.0E-01

1.0E+00

1.0E+01

1.0E+02

1.0E+03

1.0E+04 6.0E+071.0E+05 1.0E+06 1.0E+07

SystmSys30RI 87MIF84KTO93FEI88FEI88RI 83LRL76ANL67FEI85FEI85LRL76LRL76FEI88

overestimation

Odd-even effect

(n,t) for TALYS-5aEven Z,Even N Even,Odd Odd Z,Odd N

Max

cross

sect

ion (

b)

Asymmetry (s)

1E-04

1E+01

1E-03

1E-02

1E-01

1E+00

0.00 0.05 0.10 0.15 0.20 0.25

(n,t) for Final

Max

cro

ss s

ectio

n (b

)

Asymmetry (s)

1E-04

1E+01

1E-03

1E-02

1E-01

1E+00

0.00 0.05 0.10 0.15 0.20 0.25

trend curve

(n,pa) from TALYS-5

(n,pa) for TALYS-5

Max c

ross s

ectio

n (b)

Asymmetry (s)

1E+01

1E-09

1E-08

1E-07

1E-06

1E-05

1E-04

1E-03

1E-02

1E-01

1E+00

0.00 0.05 0.10 0.15 0.20 0.25

(n,pa) for TALYS-5

Energ

y at m

axim

um (e

V)

Asymmetry (s)

0E+00

1E+07

2E+07

3E+07

4E+07

5E+07

6E+07

0.00 0.05 0.10 0.15 0.20 0.25

actinides

ConclusionsValidation of EAF-2005 (before 12/2005):

Completion of the final validation report with differential and integral experimental data against EAF-2005 excitation curves (follow-up of UKAEA FUS 500) is in progress. Due date December 2005.

Completion of the validation report of high energy EAF-2005 data against differential measurements and comparisons with other libraries (IEAF-2001, MENDL-2 and WIND) – action completed, the draft version is prepared.

New validation tool (excitation curve analysis) proves to be a novel and very efficient way to check the cross section. It’s test application resulted in the release of EAF-2005.1.

ConclusionsValidation of EAF-2005 (before 12/2005):

The library format with MT reaction channels (not lumped data) proves to be an advantageous approach, because it enables to follow individual reaction data properties by means of cross section trend analysis. This is especially valuable for data with Q > 20 MeV.

From TALYS global calculations (TALYS-5 used) only (n,t) and (n,h) results have a problem, for (n,h) both in the shape and the magnitude of excitation curves and for (n,t) in the shape, which seems to be an odd-even effect.