1. KIT – The Research University in the Helmholtz Association INSTITUTE for NEUTRON PHYSICS and REACTOR TECHNOLOGY (INR) www.kit.edu Nuclear Data for Calculation of Radiation Damage and Gas Production Rates in Materials Irradiated with Intermediate and High Energy Nucleons A.Yu. Konobeyev, U. Fischer

2. 2 methods of calculation and evaluation of displacement and gas production cross-sections for materials irradiated with intermediate and high energy particles obtained evaluated data sets for calculation of radiation damage and gas production rates in materials The 6th High Power Targetry Workshop, 11-15 April 2016 Objective discussion of

3. 3 Atomic displacement cross-section dσ/dT : recoil energy distribution N D (T PKA ) : number of Frenkel pairs produced by PKA (MD, BCA, experiment) E d : effective threshold displacement energy Defect production efficiency The 6th High Power Targetry Workshop, 11-15 April 2016

4. 4 NRT-based calculations: correction MD, BCA-simulations: test Compilation of experimental, KIT Metal Source  Td  Reference Efficiency Ed(η=1) [10-31  m3] [b  keV] [eV] V LTIF,ORNL 7.17 98.05 [43,38,65] 0.449 126.9 V RTNS,LLL 18.01 257.1 [65] 0.430 132.5 V LPTR (FNIF-10) 6.56 79.2 [65] 0.509 112.0 V Be(30 MeV-d,n) 14.03 200. [65] 0.431 132.3 V LHTL,JPR-3 8.0 98.5 [63] 0.499 114.3 V TTB(2),FRM 7.3 90.78 [7,73] 0.494 115.4 Fe CP-5 (VT53),ANL 3.33 50.7 [47] 0.267 149.8 Fe LHTL,JPR-3 6.5 84.6 [63] 0.312 128.1 Fe TTB(1),FRM 6.39 70.9 [7] 0.366 109.2 Nb CP-5 (VT53),ANL 2.19 55.7 [47] 0.548 142.4 Nb LTIF,ORNL 3.43 80.25 [43,38,65] 0.595 131.0 Nb Be(30 MeV-d,n) 7.38 197. [65] 0.522 149.5 Nb Be(40 MeV-d,n) 10.1 223.9 [47,65] 0.628 124.1 Nb LPTR (FNIF-10) 3.47 60.3 [65] 0.802 97.3 Nb RTNS,LLL 11.44 283.3 [65] 0.562 138.7 Nb LHTL,JPR-3 6.5 80.2 [63] 1.129 69.1 Nb TTB(2),FRM 2.7 68.8 [7,73] 0.547 142.7 Experimental damage rates for materials irradiated with neutrons at 4-5 K Compilation for: Mg, Al, K, V, Ti, Fe, SS, Co, Ni, Cu, Zn, Ga, Zr, Nb, Mo, Pd, Ag, Cd, Sn, Gd, Ta, W, Re, Pt, Au, Pb The 6th High Power Targetry Workshop, 11-15 April 2016

5. 5 BCA–MD simulations overcoming energy limitations of MD modelling IOTA code (KIT) transition from BCA to MD at ion energy T crit  30 – 60 keV

6. 6 The 6th High Power Targetry Workshop, 11-15 April 2016 Projectile: neutron, proton Energy: 10  5 eV to 3 GeV Target: Al, Ti, V, Cr, Fe, Ni, Cu, Zr, W Content: displacement cross-sections obtained using BCA-MD (MT=900) and NRT model (MT=901) also available p+ Fe, Cu, W up to 100 GeV n,p+Be up to 3 GeV (version 2013, NRT) DXS data file (KIT), 2011-2014 (distributed by IAEA)

7. 7 The 6th High Power Targetry Workshop, 11-15 April 2016

8. 8 Displacement cross-sections for n+ 9 Be up to 200 MeV experimental data analysis comparative calculations (Bertini, ISABEL, CEM, INCL, TALYS, ALICE) evaluation Total displacement cross-sectionElastic displacement cross-section

9. 9 The 6th High Power Targetry Workshop, 11-15 April 2016 Materialweight(%)appm Fe88.8788525 Cr8.9896114 W1.0983322 Mn0.404043 V0.202180 Ta0.12368 C0.1054854 Si0.05989 N0.031189 Zr0.02122 Ti0.02232 Sb0.0146 Sn0.0147 Displacement cross-sections for EUROFER IOTA code: BCA–MD simulations NJOY-2012: recoil spectra and  d calculations (modified DF-routine) PREPRO: general check

10. 10 The 6th High Power Targetry Workshop, 11-15 April 2016 Data file in ENDF format MAT=70 MF=3, MT=900: displacement cross-sections, BCA-MD MF=3, MT=901: displacement cross-sections, NRT ACE data: checked using MCNP

11. 11 The 6th High Power Targetry Workshop, 11-15 April 2016 SRIM code: combined BCA-MD calculations SRIM-2013 with detailed printing of collision events T < T cut : MD results of R.Stoller

12. 12 The 6th High Power Targetry Workshop, 11-15 April 2016 T < T cut : MD results of M.Caturla et al

13. 13 The 6th High Power Targetry Workshop, 11-15 April 2016 Uncertainty of displacement cross-sections Comparative analysis of recoil energy distributions

14. 14 The 6th High Power Targetry Workshop, 11-15 April 2016

15. 15 The 6th High Power Targetry Workshop, 11-15 April 2016 Influence of uncertainty of model parameters The MC choice of parameters p k ={p 01   p k1,,..…,p 0L   p kL } following D.L.Smith, 2004 Results of calculations for K histories for i,j=1,N (energy) The evaluated cross-section The covariance and correlation matrices

16. 16 The 6th High Power Targetry Workshop, 11-15 April 2016

17. 17 The 6th High Power Targetry Workshop, 11-15 April 2016 Gas production cross-section Calculations MCNPX: Bertini, ISABEL, and INCL4 with combination with Dresner, ABLA; CEM03 (INC+PE+EQ, W-E) CASCADE (JINR,KIT) (INC +cluster emission +EQ, W-E) HMS ALICE (MC hybrid PE +EQ, W-E) TALYS (PE+EQ, H-F) ALICE/ASH (GDH with clusters +EQ, W-E) DISCA-C (INC with clusters +EQ, W-E) CASCADE-TALYS (INC+EQ, H-F) Analysis of experimental data, evaluation of covariance matrix Calculations using nuclear models, generation covariance matrices by MC Final evaluation

18. 18 The 6th High Power Targetry Workshop, 11-15 April 2016 Projectile: neutron, proton Energy: 10  5 eV to 3 GeV Target: Al, Ti*, Cr, Fe, Ni, W Content: proton-, deuteron-, triton-, 3 He, and  -particle production cross- sections also available n,p+Be up to 3 GeV (version 2013) DXS data file (KIT), 2011-2014 (distributed by IAEA) *together with S.Aksa

19. 19 The 6th High Power Targetry Workshop, 11-15 April 2016

20. 20 The 6th High Power Targetry Workshop, 11-15 April 2016 Gas production cross-sections for n+ 9 Be Data from JEFF-3.2: (n,x)p below 15.5 MeV, (n,x)t below 19.5 MeV, and (n,x)  below 20 MeV

21. 21 The 6th High Power Targetry Workshop, 11-15 April 2016 Evaluated  (A) dat a Evaluation of  A) at fixed incident energy E´ measured data for targets X 1, X 2, … X K calculated cross-sections for targets with 7< A < 209 (ALICE/ASH, TALYS, CASCADE, CEM03, INCL4/ABLA) Results proton, deuteron, triton, 3 He,  -particle –production cross-sections for 278 targets from 7 Li to 209 Bi incident proton energies: 62, 90, 150, 600, 800, 1200 MeV incident neutron energy: 96 MeV

22. 22 The 6th High Power Targetry Workshop, 11-15 April 2016 Example of evaluated  -particle production cross-section

23. 23 The 6th High Power Targetry Workshop, 11-15 April 2016 Gas production cross-sections for (n,x) reactions for targets from Mg to Bi Evaluation measured data available evaluated data ( ENDF/B, JEFF, TENDL ) calculations ( TALYS,ALICE/ASH ) evaluated  (A) data systematics Results proton, deuteron, triton, 3 He,  -particle –production cross-sections neutron energy range: up to 200 MeV targets: 262 nuclei with Z from 12 to 83 total number of reactions: 1,310

24. 24 The 6th High Power Targetry Workshop, 11-15 April 2016 Examples of evaluated data

25. 25 The 6th High Power Targetry Workshop, 11-15 April 2016

26. 26 The 6th High Power Targetry Workshop, 11-15 April 2016

27. 27 The 6th High Power Targetry Workshop, 11-15 April 2016 Implementation of GDH model in TALYS-1.74 Goal: improvement of pre-compound cluster emission modelling added subprograms: 55 modified ALICE/ASH subprograms: 30 new subroutines: 10 modified TALYS subroutines: 6

28. 28 Conclusion A number of data sets was prepared for improved calculation of radiation damage and gas production rates in materials irradiated with neutrons and protons of intermediate and high energies The 6th High Power Targetry Workshop, 11-15 April 2016