EASY-2005 activation library and

future plans

Robin ForrestEuratom/UKAEA Fusion Association

Culham Science Centre

This work was funded jointly by the United Kingdom Engineering and Physical Sciences Research Council and by EURATOM

OutlineOutlineIntroduction

Need for n-induced data > 20 MeVNeed for d-induced data

SAFEPAQ-IITool for creating activation libraries

EAF-2005The new librariesValidation

New tools for library analysisDeuteron-induced activationWork towards EAF-2005.1 Future work: EAF-2007Conclusions

IntroductionIntroductionUnderstanding and predicting effect of neutrons on materials

is fundamental to fusion technologyEuropean Activation System (EASY) is the European tool Previous versions such as EASY-2003 have an energy

range < 20 MeVMaterials test facilities (IFMIF) use accelerators, high energy

neutron tail upper energy limit is ~55 MeV Need to extend EASY, has been carried out over 2 years,

EASY-2005 is current versionIFMIF will use deuterons, there is a need for a library of

deuteron-induced cross sections that can be used as part of EASY to enable activation studies

European Activation System (EASY)European Activation System (EASY)

EASY

Developer User

SAFEPAQ-II EAF libraries FISPACT User Interface

EAF Cross sections

EAF Decay data

EAF hazards, clearance, transport

SAFEPAQ-IISAFEPAQ-IIMany data sources are used to assemble the EAF libraryAll data stored in relational databasesSAFEPAQ-II is the software tool that enables the databases

to be:ProcessedVisualisedValidatedOutput

Extended to treat above 20 MeVExtended to treat d-induced data

New SAFEPAQ-II featuresNew SAFEPAQ-II features

Able to read IEAF and TALYS libraries New group structures with 211 and 351 energy groupsNew uncertainty group between 20 and 60 MeVMT numbers for summed reactions (MT >200)

e.g. (n,+) = (n,) + (n,n′h) + (n,pt) + (n,n′pd) + (n,2n2p)Validation histograms showing (C/E) for the various reaction

classes produced for any source libraryFor a library now have a choice of incoming particle (n or d)SAFEPAQ-II: User Manual, R.A. Forrest, UKAEA FUS 454,

Issue 6 (January 2005)

Experimental dataExperimental data

The use of experimental data is fundamental to SAFEPAQ-IIInternal database principally at thermal, 30 keV, 14,5 MeVComplete EXFOR (2 CD-ROMs), relevant subset used for

visualisationIntegral data, stored as ‘effective cross sections’ in specified

neutron spectraAnother EXFOR CD-ROM containing d-induced data

produced by NEA Data Bank

The data are used for:Splitting cross sections into ground and isomeric

contributionsRenormalisationValidation

EAF-2005 cross sectionsEAF-2005 cross sectionsEAF-2005 requires data from 20 – 60 MeVCalculated data produced by TALYS for data > 20 MeVSAFEPAQ-II automatically smoothly joins TALYS-5 data at

20 MeV to existing data in EAF-2003 For new reactions (generally with high thresholds) TALYS-5

data are usedA set of new MT numbers agreed with A Koning, allowing up

to 8 particles to be emitted62,637 reactions (12,617 in EAF-2003)50 data sources86 different reaction types (23 in EAF-2003)The European Activation File: EAF-2005 cross section

library, R.A. Forrest, J. Kopecky and J-Ch Sublet, UKAEA FUS 515 (January 2005)

EAF-2005 decay dataEAF-2005 decay data

New reactions will lead to the production of radio-nuclides not considered in the EAF-2003 decay data library

EAF-2005 contains 2,192 nuclides (278 new)The new nuclides also require data on biological hazards,

clearance and A2

The European Activation File: EAF-2005 decay data library, R.A. Forrest, UKAEA FUS 516 (January 2005)

The European Activation File: EAF-2005 biological, clearance and transport libraries, R.A. Forrest, UKAEA FUS 517 (January 2005)

New reaction types (but standard ENDF)New reaction types (but standard ENDF)

(n,2nd) 11 (n,n´3a) 23 (n,2n2a) 30 (n,n'd2a) 35 (n,n´t2a) 36 (n,3np) 42 (n,n´2p) 44 (n,n´pa) 45 (n,3a) 109 (n,t2a) 113 (n,d2a) 114 (n,pd) 115 (n,pt) 116 (n,da) 117

Reaction

MT value

New reaction types (non-standard)New reaction types (non-standard)

(n,5n) 152 (n,6n) 153 (n,2nt) 154 (n,ta) 155 (n,4np) 156 (n,3nd) 157 (n,n´da) 158 (n,2npa) 159 (n,7n) 160 (n,8n) 161 (n,5np) 162 (n,6np) 163Plus 37 further reactions

Reaction

MT value

Data for Data for 2727Al(n,p)Al(n,p)2727MgMg

Smooth join of EAF-2003 with TALYS-5

Al-27(n,p)Mg-27

Final

Cro

ss s

ect

ion (

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

SystmTSU88ANL87KTO88KTO90AUW00RAS78MUA85TIL92BUC92TIL87TIL92USM85RI 72CHM86BIA78GEL00JAE88BIR76TSU88NPL78KOS82THS85KOS86RI 97JAE93BIA78BIR85BIR85KOS86LAS67BIA83KTY62SHI77HAR60NPL72ANL75ANL75NAP68LAS54ANL75

EAF-2005EAF-2005

Builds on EAF-2004, improves quality of dataFurther extension of SAFEPAQ-IINew differential measurementsNew integral measurementsUse of TALYS-5 dataUse of LEA for improvement of (n,) and (n,p) low energy

dataImprovement of 2 and 4 group uncertainty dataThe charged particle libraries required for SCPR all new –

based on TALYS calculations, also extended to 60 MeV

New differential and integral dataNew differential and integral data

Filatenkov has measured 14 reactions that were discrepantKopecky has searched EXFOR to find all data > 20 MeVA new source of integral data identified:

S. Qaim et al., KfK Jülich in late seventiesNew integral data for Y, Pb, TaUse of FZK and Řež integral data > 20 MeV

TALYS-5 and -5a dataTALYS-5 and -5a data

A calculation for all targets using global parameters output in EAF format by A Koning

Corrects many problems identified in TALYS-4Better physics ‘Smoother’ high energy dataCharged particle emission improved (still not perfect)

Is default choice for > 20 MeV data

TALYS-5 improvement – TALYS-5 improvement – 5858Ni(n,2n)Ni(n,2n)5757NiNiNi-58(n,2n)Ni-57

TALYS-5 TALYS-4

Cro

ss s

ectio

n (b

)

Energy (eV)

0.0E+00

2.0E-02

4.0E-02

6.0E-02

8.0E-02

1.0E-01

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

RI 99KHA96KHA96BUC92KIG84BHU86SST87KTO88AUB82KOS81GEL02ANL87ANL87RAM91KOS82RAB91LNZ92IBJ80GEL02IRK85JAE84IRK82AEP89RI 97IRK85IRK82JAE88

Better fit to data

Less ‘bumps’

New EXFOR data – New EXFOR data – 5656Fe(n,p)Fe(n,p)5656MnMnFe-56(n,p)Mn-56

Final

Cro

ss s

ectio

n (b

)

Energy (eV)

0.0E+00

4.0E-02

8.0E-02

1.2E-01

1.6E-01

2.0E-01

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

SystmSys20NPT91KTO88SST87OHO91ANL75AEP93KTO90TIL92TIL92RI 78CRC64GEL00AEP98LVN00GEL00BIR76HAM62ANL75RAB91RI 97JAE93MOH82LAS58KOS80TSU84JAE88LAS67LAS58CRC64GEL66ANL75NPT91AEP89AEP89CRC64

EXFOR data > 20 MeV

New EXFOR data - New EXFOR data - 5959Co(n,3n)Co(n,3n)5757CoCoCo-59(n,3n)Co-57

Final TALYS-5 IEAF-2001 MENDL-2

Cro

ss s

ectio

n (b

)

Energy (eV)

0.0E+00

2.4E-01

4.8E-01

7.2E-01

9.6E-01

1.2E+00

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

JUL80TOH96LAS77TOH99

TALYS-5 in very good agreement with new high energy data

Significant improvement over EAF-2004

Low Energy Approximation (LEA)Low Energy Approximation (LEA)

Represents the region below the effective threshold of (n,p) and (n,) reactions with Q > 0 by resonance data and or pure 1/v (if no resonances exist)

Based on assumption that R = (p)/() or ()/() is constant at low energies

Pd-107

Ag-107 p

R

En (keV)

LEA for LEA for 3939K(n,K(n,))3636ClClK-39(n,a)Cl-36

Final EAF-2003.0

Cro

ss s

ectio

n (b

)

Energy (eV)

1.0E+00

1.0E-08

1.0E-07

1.0E-06

1.0E-05

1.0E-04

1.0E-03

1.0E-02

1.0E-01

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

SystmSys20IFJ65NZW67HAM60HAM58OTC61FRK64HAM62RIC61

EAF-2003

EAF-2005

New differential data – New differential data – 8080Se(n,p)Se(n,p)8080As As Se-80(n,p)As-80

Final EAF-2003.0

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

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

SystmSys20TUR67KRI04

EAF-2003 based on JEF-2.2

EAF-2005 based on TALYS-5 renormalised to Filatenkov data

Nb-93(n,a)Y-90m

Final EAF-2003.0

Cro

ss s

ectio

n (b

)

Energy (eV)

0.0E+00

1.5E-03

3.0E-03

4.5E-03

6.0E-03

7.5E-03

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

SystmSys20SEO86 mIRK83KIG85 mAUB82 mORL58 gAUB79 mNPL81 mAEP89 mCIP85 mBUC92 mDEB98 mRI 01 mRI 01 gGEL00 mGEL00 mRAM91 mAEP77 mJAE88 mIBJ75 mLAS61JUL88JUL88 mLRL60GEL87 mGEL87 mGEL88RI 97 mGEL88 m

Integral data – Integral data – 9393Nb(n,Nb(n,))90m90mY Y Nb-93(n,a)Y-90m

Final EAF-2003.0

Cro

ss s

ectio

n (b

)

Energy (eV)

0.0E+00

1.5E-03

3.0E-03

4.5E-03

6.0E-03

7.5E-03

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

Experimental data

EAF-2003

EAF-2005

Integral C/E improved

EAF-20031.0518, 1.1279EAF-20051.0010, 1.0704

Validation of EASY-2005Validation of EASY-2005

This is part of the current workDetails given in talk by Jura KopeckyWork so far has identified some problems with EAF-2005Validation report will be produced at end of 2005Currently there are 448 reaction studied, of these 208 are

validatedBased on C/E plots of integral data and plots of differential

data as a function of energy

New SAFEPAQ-II toolsNew SAFEPAQ-II tools

Verification and validation of very large EAF-2005 library is difficult – need for additional tools

Systematics show that cross sections at particular energies have a good correlation with parameters such as A or s = (N - Z) / A

Work on maximum cross sections by Manokhin for (n,2n) shows similar trend

SAFEPAQ-II can extract such data from EAF-2005 or one of the data sources (such as TALYS-5) and display a scatter plot against A, Z or s

Line of best fit can be added and reactions discrepant from the trend identified

Cross section analysisCross section analysis

Data source

Reaction

x-axis variable

y-axis variable

Non-threshold reactions need to specify a minimum energy

Option to add a 2nd reaction e.g. (n,2n) + (n,n′p)

Plot

Maximum cross section - (n,2n) for EAF-2005Maximum cross section - (n,2n) for EAF-2005(n,2n) for Final

Even Z,Even N Even,Odd Odd Z,Odd N

Max

cro

ss s

ectio

n (b

)

Atomic Mass (A)

1E-03

1E+01

1E-02

1E-01

1E+00

0 50 100 150 200 250 300

Trend

Hf-178n(n,2n), what is wrong?

Nb-91m(n,2n), what is wrong?

178178Hf(n,2n) and Hf(n,2n) and 178m178mHf(n,2n)Hf(n,2n)Hf-178(n,2n)Hf-177

TALYS-5a

Cro

ss s

ectio

n (b

)

Energy (eV)

0.0E+00

5.0E-01

1.0E+00

1.5E+00

2.0E+00

2.5E+00

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

Systm

Hf-178(n,2n) data from TALYS-5a, but no data for the high spin Hf-178n isomer in TALYS-5a

Use ADL-3, no renormalisation to systematics and data very small

Need to improve

91m91mNb(n,2n)Nb(n,2n)90g90gNbNbNb-91m(n,2n)Nb-90g

Final

Cro

ss s

ectio

n (b

)

Energy (eV)

0.0E+00

6.0E-01

1.2E+00

1.8E+00

2.4E+00

3.0E+00

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

Systm

Error with first point in TALYS-5, should be 0

Need to improve

Width at half-maximum - (n,2n) for EAF-2005Width at half-maximum - (n,2n) for EAF-2005(n,2n) for Final

Wid

th a

t hal

f-max

XS

(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

Kr-76(n,2n), what is wrong?

7676Kr(n,2n)Kr(n,2n)7575KrKrKr-76(n,2n)Kr-75

Final

Cro

ss s

ectio

n (b

)

Energy (eV)

0.0E+00

1.5E-02

3.0E-02

4.5E-02

6.0E-02

7.5E-02

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

Large width is due to shape of TALYS-5 data, need to improve?

Deuteron-induced dataDeuteron-induced data

IFMIF uses high energy d beams on a flowing lithium targetCorrosion products in the lithium means that reactions of d

with a wide range of elements possibleNeed to be able to calculate the d-induced activationA d library (based on TALYS calculations) is being

constructed, FISPACT will be modified so that the data can be used

The range of targets and reactions is similar to EAF-2005:60,688 reactions2,192 nuclidesBased on calculated data from TALYSVery limited use of experimental data

5858Ni(d,nNi(d,n))5555CoCo

Ni-58(d,na)Co-55

Final

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

PUP63ROC63

Good agreement of EXFOR with TALYS calculation

6363Cu(d,2n)Cu(d,2n)6363ZnZn

Cu-63(d,2n)Zn-63

Final

Cro

ss s

ectio

n (b

)

Energy (eV)

0.0E+00

5.0E-02

1.0E-01

1.5E-01

2.0E-01

2.5E-01

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

OSA71BLG63

Good agreement of EXFOR with TALYS calculation

5151V(d,2n)V(d,2n)5151CrCr

V-51(d,2n)Cr-51

Final

Cro

ss s

ectio

n (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

CIN93AEP92JUL80 Very poor

agreement of EXFOR with TALYS calculation.

More work needed!

FISPACT-2005FISPACT-2005

Inventory code - calculates arisings of nuclides following neutron exposure

Developed over last 19 years for fusion applicationsFeatures

External libraries of cross section and decay data Elements hydrogen to fermium handled Arbitrary irradiations (multiple pulses) Arbitrary neutron spectrum Gas production and isomers Sensitivity and uncertainty calculations Dominant nuclides and pathways Fissionable actinides Sequential charged particle reactions

Test version has ability to read a d-induced library

EASY-2005.1EASY-2005.1

Obvious errors in the cross sections described above will be corrected

Implement ability to read d-induced library in FISPACTBug fixes in User InterfaceMaintenance release at end of 2005Feedback from validation studies and physics

improvements will be collected and implemented in the next version

Validation report for EASY-2005 distributed at end of 2005

EASY-2007EASY-2007

EAF-2007 implement feedback from integral validationNew TALYS-6 results

Will contain more complete d-induced libraryUse detailed calculations on selected elements (Avrigeanu)Use of EXFOR data or branching and renormalisationUncertainties?

Documentation

Activation handbookActivation handbook

Example of use of EAF-2003 dataAll elements irradiated in fusion relevant neutron spectra544 pages of tabular and graphical data Importance diagrams are spectrum independent Results without running an inventory codeHandbook of Activation Data Calculated Using EASY-2003

M.R. Gilbert and R.A. Forrest, UKAEA report UKAEA FUS 509 (July 2004). (PDF file, size 8.6Mb)

Available for download

ConclusionsConclusions

EAF-2005 completed and distributed to usersValidation and verification during 2005New SAFEPAQ-II tools to help in verificationNeed for maintenance version (EAF-2005.1) to correct

errors and implement d-induced activationValidation and feedback to be used for EAF-2007

All EASY-2005 documentation, Validation reports and the Activation handbook can be downloaded from the web at http://www.fusion.org.uk/easy2005