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McDeLicious Workshop S.P. Simakov Institut für Reaktorsicherheit, Forschungszentrum Karlsruhe 13 13- 14 March 2008 14 March 2008

McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

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Page 1: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

McDeLicious Workshop

S.P. Simakov

Institut für Reaktorsicherheit, Forschungszentrum Karlsruhe

1313--14 March 200814 March 2008

Page 2: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 2

• McDeLicious codewas developed to enable a proper representation of the d-Li neutron source term in Monte Carlo transport calculations for IFMIF

• It is enhancement (set of subroutines) to MCNP5 with ability to sample the generation of d-Li source neutrons on the basis of tabulated double-differential d + 6,7Li cross-sections: - modelling of deuteron beam configuration, orientation and profile- modelling of deuteron slowing down in the Lithium- sampling of source neutrons using evaluated d+ 6,7Li data

What is McDeLicious code

Page 3: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 3

History of McDeLicious code development

• 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999)- enhancement to MCNP-4a to sample the generation of d-Li source neutrons on the basis of embed analytical formulasrepresenting direct deuteron striping (Serber model) and compound reactions

• 2001: McDeLicious (S.P.Simakov et al. J.Nucl.Mat.307-311(2002)1710, FZKA 6743)- enhancement to MCNP-4b,c to sample the d-Li source neutrons

on the basis of tabulated double-differential d + 6,7Li cross-sectionsfor deuteron energies up to 50 MeV

(evaluated by A. Konobeyev et al., NSE 139 (2001)1)

• 2005: McDeLicious-05 – compilation with MCNP-5and use tabulated double-differential cross-sections from updated d + 6,7Li evaluation (made by P. Pereslavtsev et al., J.Nucl.Mat.367-370(2007)1531)

Page 4: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 4

D-Li Neutron Source Term:

validation against measurements performed at accelerators with

- thin Li-target - double differential cross sections - thick Li-target - integrated & differential neutron yields

Page 5: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 5

0 5 10 15 20 25 30 3510-3

10-2

10-1

100

101

102

Bem, 03 Bem, 03 evaporation prequilibrium stripping 1 level 2 level 3 level 4 level 5 level total

θ=0ο

7Li(d,xn), Ed=16.6 MeV

d2 σ/dΩ

/dE

[mb/

sr M

eV]

Emitted neutron energy [MeV]

Double differential cross sections /thin Li-target/:new measurements and new d + 6,7Li data evaluation

0 10 20 30 40 5010-3

10-2

10-1

100

101

102

Baba, 03 evaporation preequilibrium stripping 1 level 2 level 3 level 4 level 5 level total

θ=0ο

Li(d,xn), Ed=40 MeV

d2σ

/dΩ

/dE

[mb/

sr M

eV]

Emitted neutron energy [MeV]

Ed = 17 MeV Exp.: P.Bem et al. NPI EXP(EFDA)-05/2004

Evaluation by P. Pereslavtsev et al., JNM 367-370(2007)1531

Ed = 40 MeV Exp.: M.Hagiwara et al. Fus.Sci.Tech.48(2005)1320

Page 6: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 6

Neutron yield from thick Li-target: available experiments

No First Author, Year of Publ.

Laboratory, Country

Tar- get

Ed, MeV

Θ, degrees

Ethr, MeV

1 V.K. Daruga 1968

Inst. of Physics & Power Eng., Russia

Li 22 0o 1.8

2 A.N. Weaver 1972

Livermore Laboratory, USA

Li 5, 9, 14, 16, 19

3.5o, 10o, 18o, 25o, 32o 2.5 1.6

3 A.N. Goland 1975

Naval Research Laboratory, USA

Li 13.4, 19, 25, 29, 34

0o, 5o, 10o, 15o, 20o 3

4 H.I. Amols 1976

Fermi National Laboratory, USA

Li 35 0o 5

5 C.E. Nelson 1977

Triangle University, USA

7Li 8, 12, 15 0o, 10o, 20o, 30o, 45o 1

6 M.A. Lone 1977

Chalk River Labo-ratory, Canada

7Li 14.8, 18, 23

0o, 10o, 20o, 30o, 40o 0.3

7 M.J. Saltmarsh 1977

Oak Ridge Laboratory, USA

Li 40 0o, 7o, 15o, 30o, 45o, 60o, 90o

2

8 D.L. Johnson 1979

University of California, USA

Li 35 0o, 4o, 8o, 12o, 20o, 30o, 45o, 70o, 105o, 150o

1

9 M. Sugimoto 1995

Japan Energy Research Institute, Japan

Li 32 0o,5o,10o,15o,20o,30o, 40o, 50o, 60o, 70o, 80o, 90o, 100o, 110o,120o, 130o,

140o, 150o

1

10 M. Baba 2003

Tohoku University, Japan

Li 25, 40 0o,5o,10o,15o,20o,25o,30o, 40o,45o,60o,90o, 110o

1

11 P. Bém 2003

Nuclear Physics Institute, Rez

Li 16.3, 17.0 0o 3

Page 7: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 7

McDeLicious Logic Structure

0 10 20 30 4010-1

100

101

2001

MCNPX

McDeLicious

Forward Yield (Θ = 0o)

McDeLi

- Daruga 68 - Weaver 72 - Goland 75 - Amols 76 - Nelson 77 - Lone 77 - Salmarsh 77 - Johnson 79 - Sugimoto 95 - Bem 02 - Baba 01/02

Neu

tron

Yie

ld,

1010

/sr/

µC

Deuteron Energy [MeV]

2005

Thick Li-target neutron source: Forward Neutron Yield

Page 8: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 8

McDeLicious Logic Structure

0 30 60 90 120 150 180

1

10

1

10

1

10

Sugimoto (En > 1MeV)

Angle, degree

Ed = 32 MeV

Johnson (En > 1MeV)

MCDeLi

Ed = 35 MeV

(new d-Li data)(2001 d-Li data)

Saltmash (En > 2 MeV)

Baba (En > 1 MeV)

McDeLicious

MCNPX

Ed = 40 MeV

Neu

tron

Yie

ld,

1010

/sr/µ

C

0 30 60 90 120 150 180

0.1

1

0.1

1

10

1

10

Bem (17MeV, En > 3 MeV)

Nelson (En > 1 MeV)

McDeLicious

MCDeLi

Ed = 15-17 MeV

Angle, degrees

(2001 d-Li data)(new d-Li data)

Weaver (En > 1.6 MeV)

MCNPX

Neu

tron

Yie

ld,

1010

/sr/µ

C

Baba (En > 1 MeV)

Ed = 25 MeV

Ed = 19 MeV

Thick Li-target neutron source: Angular Neutron Yield

Page 9: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 9

Thick Li-target neutron source: Energy-Angular Yield

0 10 20 30 40 50 6010-3

10-2

10-1

100

101

2001 d-Li data2005 d-Li data

McDeLi- M.Baba et al. (2004)

MCNPX MCDeLicious

Ed = 40 MeV, Θ = 0o

Neu

tron

Yiel

d,

1010

n/s

r/MeV

/µC

Neutron Energy, MeV

Ed = 17 MeV Exp.: P. Bem et al.

0 5 10 15 20 25 30 3510-4

10-3

10-2

10-1

100

P. Bem et al.

McDeLi

(2001 d-Li data)(2005 d-Li data)

Neutron Energy, MeV

MCNPX

Ed = 17 MeV, Θ = 0o

McDeLicious

Spe

ctra

l Yie

ld,

1010

n/s

r/MeV

/µC

Ed = 40 MeV Exp.: M. Hagiwara et al.

Page 10: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 10

D-Li Neutron Source Term:

simulation of IFMIF source

Page 11: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 11

y

d n

n1

γ

α pR

γd

Li Je

tTarget(Li, d = 0.51 g/cm3)

HFTM(EF, d = 0.8 dnorm)

d Range

Back Plate(EF, d = 7.8 g/cm3)

20 mm

d-be

am #

1(4

0 M

eV, 1

25 m

A)

25 mm

50 mm

50 m

m

d-be

am #

2(4

0 M

eV, 1

25 m

A)

n1pα

R

γ1

1.8 mm

Li(d,xn)

Li(d,xγ)

10o

10o

Reflector(d = 0.6-0.9 dnorm)

Reflector/MFTM(d = 0.8 dnorm)

Reflector(d = 0.6-0.9 dnorm)

n2z0

n3γ2Li(d,x7Be)

Li(n,x3H)

n

d

n

Li(d,x3H)

d

beam direction

y

d n

n1

γ

α pR

γd

Li Je

tTarget(Li, d = 0.51 g/cm3)

HFTM(EF, d = 0.8 dnorm)

d Range

Back Plate(EF, d = 7.8 g/cm3)

20 mm

d-be

am #

1(4

0 M

eV, 1

25 m

A)

25 mm

50 mm

50 m

m

d-be

am #

2(4

0 M

eV, 1

25 m

A)

n1pα

R

γ1

1.8 mm

Li(d,xn)

Li(d,xγ)

10o

10o

Reflector(d = 0.6-0.9 dnorm)

Reflector/MFTM(d = 0.8 dnorm)

Reflector(d = 0.6-0.9 dnorm)

n2z0

n3γ2Li(d,x7Be)

Li(n,x3H)

n

d

n

Li(d,x3H)

d

beam direction

Basic nuclear processes in IFMIF

Bea

m s

patia

l pro

file

Deuteron slowing downand neutron generation

Neutron transport and nuclear responses

Page 12: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 12

Dual deuteron beam spatial profile: each 40MeV @125 mA

Two 40 MeV @ 125 mAbeams:

+/- 10o declination in horizontal plane

- d-beam current density variation inside the beam foot print amounts up to 20% ;- d-beam current density gradient at the beam foot print edges (10 to 90)% per 1.5 cm- d-beam current density 3-d distribution based on results obtained ≈10 years ago!

Reduced Footprint: 4×5 cm2Full Footprint: 20×5 cm2

Page 13: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 13

Deuteron slowing down and energy deposition in Li-jet

- Deuteron track length reach 2.1 cm;- Peak Energy Deposition is 150 kW/cc at the depth of 2.0 cm (at the end of d-track)

(without incident deuteron energy smearing - 1000 kW/cc ! )- Average energy deposition in Li jet = (40 MeV x 250 mA=10,000 kW)/(20x5x2 cc) =50 kW/cc

0.0 0.5 1.0 1.5 2.00

10

20

30

40

50

Energy Deposition(Ed = 40 +/- 0.5 MeV)

Edaccel = 40 +/- 0.5 MeV

Edmean = 25.4 MeV

Energy Deposition(Ed = 40 MeV)

Deuteron Energy

dE/d

x, M

eV/c

m

Ed, M

eV

Depth in Lithium Target, cm

0

50

100

150

200

250

300

Ene

rgy

Dep

ositi

on,

kW/c

m3

Page 14: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 14

0.0

0.5

1.0

1.5

2.0

2.5

3.0

0 5 10 15 20 25 30 35 400.0

0.5

1.0

1.5

2.0

2.5

3.0

Longtitude Straggling

Lateral Straggling

Li + d

Mul

tiple

sca

tterin

g A

ngle

, deg

Deutron Energy, MeV

Lon

gtitu

de s

tragl

ing,

%

Deuteron collisions and Neutron productions probabilities in Li-jet

- First deuteron collision in Li-jet dominates - Second collisions - most probably are an elastic scattering

which conserves incident deuteron direction within 1o and energy- Every 100 deuterons with 40 MeV produce in Li-jet: 7.2 neutrons and 1.2 gammas

Probabilities Straggling

0.0 0.5 1.0 1.5 2.0 2.50.00

0.02

0.04

0.06

0.08

0.10

0.12

Deu

tero

n R

ange

Li T

arge

t Thi

ckne

ss

Pγ = P1σ(d,xγ)/σ(d,tot)

Pn = P1σ(d,xn)/σ(d,tot)

Li + d, Ed = 40 MeV

PMult

P1

Col

lisio

n P

roba

bilit

y, 1

/cm

Li Target Depth, cm

Page 15: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 15

0 10 20 30 40 50 600.0

0.5

1.0

1.5

2.0

2.5

3.0

Baba et al.Mann et al.

Experiment:

(60o)

(20o)

(2005 updated d-Li data)

MCNPX

MCDeLicious

Ed = 40 MeV, Θ = 0o

Neu

tron

Yie

ld,

1010

n/s

r/MeV

/µC

Neutron Energy, MeV15

%

Neutron Spectra at well defined angles:

Peak at energy 15 MeV is clearly visible in well fine angle geometry.This peak is reproduced by 2005 updated d-Li evaluation within 10%

Li-target

d-beam

n-detector

subtendedangle ∆Θ = 1o

D-Li Neutron Spectra: thick target measurements in laboratory do show a 14 MeV peak !

2 -1

0 m

Page 16: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 16

0 10 20 30 40 500.0

0.5

1.0Sum

High Flux Module

Scattering

Source

IFMIF: Ed= 40 MeV, Id= 250 mA

Neu

tron

Spec

trum

, 1

013n/

cm2 /M

eV

Neutron Energy, MeV

0.0

0.5

1.0

1.5

Sum

Scattering

Source

Creep Fatique Module

ITER(1.2Mw/m2)/10

Does IFMIF neutron spectra have 14 MeV peak (?)

Neutron Spectra at Atom point

Angular smearing and multiple scatteringsmooth a 14 MeV neutron peak in HFTM,

resulting to the shape without local extremes

IFMIF fragment:

d-beam

Li-jet

HFTM-rigs

CFTM-rods

∆Θ = +/-10o

S.P. Simakov et al. Fus.Eng.Des.82(2007)2510

Page 17: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 17

Neutron spectra inside the Test Cell

Neutronics calculations do predict smoothed (no peaks) energy distribution all over the IFMIF test cell

IFMIF test cell design Calculated neutron spectra at different spots

10 20 30 40 50 60105

107

109

1011

1013

1015

Front Wall

MFTM

HFTM

Neu

tron

Flux

, 1

/cm

2 /MeV

/sNeutron Energy, MeV

IFMIF: 40 MeV × 250 mA

D+: 250mA @ 40MeV

Li -jet

5 cm3 m

Page 18: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 18

Li-jet nuclear responses: Tritium and Be-7 Inventories

3H and 7Be production rates in Li-loop sub-systems(calculated by the McDeLicious code)

Test Cell & Li -loop

Loop component

Mass, kg Reaction Inventory Rate, g/fpy

d + Li 7Be 1.5 Li jet 1 d + Li 3H 6.0

n + Li 3H 0.4

Li injection tank 18 n + Li 3H 0.2 Li quench tank 1200 n + Li 3H 1.0 Li drain tubes 3 n + Li 3H 0.1

Total 3H 7.7

Front wall Liner

Li-jet

C

WHFTM

UTM

TRM

LFTMd-beam

Li inject tank

Li quench tank

Front wall Liner

Li-jet

C

WHFTM

UTM

TRM

LFTM

Front wall Liner

Li-jet

C

WHFTM

UTM

TRM

LFTMd-beam

Li inject tank

Li quench tankD-Li collision in jet is a main source

of Tritium and Be-7 inventories in the Li-Loop

S.P. Simakov et al., JNM 329-333(2004)213

Page 19: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 19

MCNP geometry modelfor the IFMIF test cell/latest version - md34/

developed by F. WasastjernaVTT Processes, Helsinki, Finland

F. Wasastjerna, Ann. of Nucl. Energy 35(2008)438–445

Page 20: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 20

MCNP geometry Model

Test Cell /Vertical cut/

d-beam

Fron

t Wal

l

Ceiling

Rea

r Wal

l

Li-tank

Test modules

Horse-shoe shield Step

Late

ral W

all

Front Wall

Late

ral W

all

Li-loop Test modules

Horse-shoe shield

Rear Wall

d-beams

Liner

Test Cell /Horizontal cut/

Page 21: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 21

MCNP geometry Model (continued)

HFTM /Vertical cut/ HFTM, MFTM, LFTM /Horizontal cut/

d - beam

Li – jet

HFT

M (rig m

atrix)

d-beam

Li - jet

HFTM (rig matrix)

UTM W plate

Page 22: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 22

MCNP geometry Model (continued)

Test Cell and Walls /Vertical cut/HFTM, MFTM, LFTM /Horizontal cut/

Page 23: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 23

Evaluated cross sections data

for neutron transport and nuclear responses calculations

in the IFMIF

Page 24: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 24

• IFMIF project – 1H, 56Fe, 23Na, 39K, 28Si, 12C, 52Cr, 51V, 6,7Li, 9Be (INPE/FZK)- 180,182-184,186W, 181Ta (EFF/JEFF)

• LANL 150 MeV data files (ENDF/B-VI.6 or B-VII)- 1,2H, 12C, 16O, 14N, 27Al, 28,29,30Si, 31P, 40Ca, 50,52,53,54Cr, 54,56,57,58Fe,

58,60,61,62,64Ni, 63,65Cu, 93Nb, 182,183,184,186 W, 196,198, 199, 200, 201, 202, 204 Hg,206, 20, 208 Pb, 209Bi

• NRG evaluations– 40,42-44,46,48Ca, 45Sc, 46-50Ti, 54,56-,58Fe, 70,72-74,76Ge, 204,206-208Pb, 209Bi

• JENDL-HE data file– 1H, 12,13C, 14N, 16O, 24-26Mg, 27Al, 28-30Si, 39,41K, 40,42- 46,48Ca,

46-50Ti,51V, 50,52-54Cr, 55Mn, 54,56-58Fe, 59Co, 58,60-62,64Ni, 63,65Cu, 64,66-68,70Zn,90- 92,94,96Zr, 93Nb, 180,182-184,186W, 196,198-202,204Hg

• Few other evaluations– KAERI (12C, 27Al, 56Fe, 208Pb), BNL (12C, 56Fe,208Pb, 209Bi),

IPPE (232-238U, 237,239Np, 236-244Pu)

Neutron Cross-Sections E ≥ 20 MeV- General purpose data ENDF evaluations -

Page 25: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 25

Transport cross sections and nuclear responses

Responses in HFTM/IFMIF vs. Libraries(uncertainties due to XS data)

Evaluated neutron cross sections(LANL – solid, INPE/FZK – dash)

Parameter LANL INPE Differ. dpa-rate, 1/fpy 31.1 33.6 8 %

Heating, W/cm3 16.9 19.7 16 % H-production, appm/fpy 1602 1767 10 % He-production, appm/fpy 345 396 13 %

n-flux, 1014/cm2/s 7.05 7.43 5 % γ-flux, 1014 /cm2/s 3.38 3.59 6 %

1E-3 0.01 0.1 1 10 10010-4

10-3

10-2

10-1

100

101

102

103

104

105

56Fe

σ(n,dpa)

σ(n,γ)

σ(n,xα)

σ(n,xγ) σ(n,xp)

Neutron Flux in HFTM

σ(n,tot)

σ [b

],

Flu

x [1

011/M

eV/c

m2 /s

]

Energy, MeV

Expected uncertainties of IFMIF nuclear responses due to the transport cross sections data amounts at least (5 - 15)%

Page 26: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 26

Iron Transmission Benchmark Experiment

Fe slabs (20, 40 50 cm) irradiated with source neutrons produced by 65 MeV protons on Cu target /TIARA, Shin et al./

Fe(nat) total neutron cross-section

0 10 20 30 40 50 6010-14

10-13

10-12

10-11

10-10

Shin et al. 91 MCNP/INPE-FZK MCNP/LANL-150

t = 50 cm

t = 40 cm

Neu

tron

Flu

ence

, n/c

m2 /M

eV/p

roto

n

Neutron Energy, MeV

t = 20 cm

10 20 30 40 501

2

3

4

5

Cierjacks 66 Perey 72 Larson 81 Abfalterer 2001 FZK/INPE LANL-150

Tota

l neu

tron

cro

ss-s

ectio

n [b

]

Neutron Energy, MeV

LA-150 looks more preferable than INPE-FZK

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13-14.03.2008 McDelicious Workshop, FZK/IRS 27

Gas (He) production cross-sections in Iron

INPE-FZK looks more preferable than LA-150 (?!)

0 20 40 60 80 100 1200.00

0.05

0.10

0.15

0.20

IEAF-2001

NRG-2003

Fe(n,xα)

56Fe(n,nα)52Cr(Eγ= 1.43MeV)

LLNL'79_S Geel'83_S ANLLLNL'86_S Geel'81_S Tohoku'94_S Osaka'99_S TSLUppsala'04_S LANSCE'04_S ORNL'91_S FE56XAOB_S IEAF2001_Fenxa NRG2003_Fe00 JENDLHE_Fe56xa LA150nxa_Fe00

JENDL-HE (56Fe)

INPE-FZK(56Fe)LA-150

σ,

b

Neutron Energy, MeV

Page 28: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 28

Transport and nuclear response cross sections files for IFMIF

LA-150 library (extension = 24c), xsdir = iedirLAn + 1-H-1, H-2 n + 4-Be-9 n + 6-C-natn + 8-O-16 n + 13-Al-27 n + 14-Si-28, Si-29, Si-30n + 20-Ca-natn + 24-Cr-50, Cr-52, Cr-53, Cr-54 n + 26-Fe-54, Fe-56, Fe-57n + 28-Ni-58, Ni-60, Ni-61, Ni-62, Ni-64 n + 29-Cu-63, Cu-65 n + 74-w-182, W-183, W-184, W-186

INPE/FZK library (extension = 95c)n + 3-Li-6, Li-7 from file wq_Li6 and wq_Li7 (xsdir_wq_Li6_Li7)n + 11-Na-23 from file iexs2 (bin) or iexs1 (ASCII, xsdir =iedir1)n + 19-K-39 …n + 23-V-51 …

JENDL-FF library (extension = 41c)n + 22-Ti-46, Ti-47, Ti-48, Ti-49, Ti-50

(better to replace by JEFF-3.1, < 200 MeV

ENDF/B-VI library (extension = 60c) n + 16-S-32

(better to replace by ENDF/B-VII, < 20 MeV)

High Energy Files (up to 150 MeV) Fusion Energy Files (up to 20 MeV)

IFMIF Energy domain Files (up to 50 MeV)

Page 29: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 29

McDeLicious:

programming details

Page 30: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 30

McDeLicious Logic Structure

1. Main subroutine source_lib-05.F90 does following:

- calls subroutine load(filename,..) which uploadsin memory the ACE files with d-6Li and d-7Li cross sections

- reads beam parameters from the McDelicious input file such as number of beams, declination angle, d-beam spatial profile parameters, deuteron incident energy, Li-jet density, entrance surface and target cell

- calls subroutine yield_Ed(..) which calculates deuteron range in Li media,total neutron yield and prepares the tables for deuteron track sampling

for t

he F

irst s

ampl

ing

hist

ory

Page 31: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 31

McDeLicious Logic Structure (continued)

- calls subroutine yz_sample(…) and samples deuteron direction and entrance point on the surface of Li target

- calls subroutine sample_Ed(…), which samples d-track length to collisionand calculates this point (X,Y,Z), deuteron energy Ed and neutron weight Wn there

- samples whether isotope 6Li or 7Li a deuteron collides with

- subroutine sample_EnAng (…) – samples neutron emission Energy En ,polar Θn and azimuth φn Angles using tables from d-Li ACE file

- submits to MCNP parameters of generated neutron:X,Y,Z, cosX, cosY, cosZ, En, Wn, Tn=0

2. Files load_sample-05.F90 and beam.F90 collect subroutines and functionsmentioned above: load, yield_Ed, sample_Ed, sample_EnAng,

dedx, f_average, yz_sample, gausdev

for A

ll ot

hers

sam

plin

g hi

stor

ies

Page 32: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 32

McDeLicious subroutines allocation and compilation with MCNP5 onesto get executable for mpi parallelism

Ø Subroutine source_lib-05.F90 should replace MCNP dummy subroutine source.F90 in directory MCNP5/Source/src; files load_lib-05.F90 and beam.F90 should be allocated there too

Ø System dependent script for MCNP5 compilation go_pgi_mpi(after slight modification - go_mpi_McDeLicious-05) should be available in directory MCNP5/Source and has to be executed

Ø After successful compilation an executable file mcnp5.mpi will be produced which should be renamed to McDeLicious-05and moved in your working or bin directory

Ø To run McDelicious code one needs specific ACE files :d_li6_056.ace_up50 and d_li7_056.ace_up50- which are the d-6,7Li evaluation processed by NJOY code

Page 33: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 33

McDeLicious subroutines allocation in MCNP5 directories

12

load_sample-05.F90beam.F903

Page 34: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 34

message:Datapath=~/directory_for_dataxsdir=xsdir_file_for_cross_sections

IFMIF Test Cell geometry and materials cards(around lines 8000 lines)

D-Li source specification cards(see next slide)

Responses specification cards(see next slide)

Sp901….SP916

empty lineCell cards

empty lineSurface cards

empty lineMaterials

Tally cardsF6n,p cell_number….

mode n,pphys:p j 1cut:n 1j 5.0E-7nps 1.E+7

Problem specification cards

McDeLicious Input File StructureM

CN

P c

ards

MC

NP

car

ds

Page 35: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 35

c ---------------------------------------------------------------- --------------------------------------------c two 40MeV d-beams declined in Horizontal plane by 10deg, 20x5cm2 Footprint c ---------------------------------------------------------------- -------------------------------------------c beams #1 # 2SI901 L 1 1 $ target numberSI902 L 1 1 $ beams current (only relative value has meaning)SI903 L 40 40 $ beams energy Ed [MeV]c cos(x) cos(y) cos(z) cos(x) cos(y) cos(z) for beam orientationSI904 L 0.173648 0. 0.984808 -0.173648 0. 0.984808 $ beams 10deg in Horiz.SI905 L 1 0 0 1 0 0 $ beam orientation vector: along X-axisc Xo σ m Xo σ m for beam spatial profile for 20 x 5 cm**2SI906 L 9.0 0.6 1.00 9.0 0.6 1 $ basic horizontal parameters SI907 L 2.0 0.6 1.00 2 .0 0.6 1 $ basic vertical parametersSI908 L 8.5 0.25 0.35 8.5 0.25 0.35 $ first horizontal correctionSI909 L 0 0 0 0 0 0 $ first vertical correctionSI910 L 0 10 0.2 0 10 0.2 $ second horizontal correctionSI911 L 0 0 0 0 0 0 $ second vertical correctionc x y z x y z for beam centre coordinatesSI912 L 0 0 -2.68 0 0 -2.68 $ beam spot centre [cm] on Li-jet surfaceSI913 L 2001 $ program cell number for Li-jetSI914 L 0 0 1 $ target surface normal: along Z-axisSI915 L 0.512 2.50 $ target density [g/cm**3], thickness [cm]SI916 L 0.075 0.925 $ Li-6 and Li-7 relative Abundance

McDeLicious Input File: D-Li Source Specification

Page 36: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 36

πσσ 2/)2/)(exp(*)( 20xxmxp −−=

Horizontal Vertical m X0, cm σ, cm2 m X0, cm σ, cm2

Basic 1.00 ±9.0 0.60 1.0 ±2.0 0.6 1st correction 0.35 ±8.5 0.25 - - - 2nd correction 0.20 0.0 10.0 - - -

One d-beam spatial profile presentation

(+ Heaviside function for basic profile)

-12 -10 -8 -6 -4 -2 0 2 4 6 8 10 120.0

0.2

0.4

0.6

0.8

1.0

2nd correction

1st correction

Rel

ativ

e P

roba

biltyHorizontal Axis, cm

Basic distribution

Sum

P. Wilson, Report FZKA 6218, 1999

Page 37: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 37

Tallies and its normalization

Overal normalization

Specific Tally normalization:

- Flux Tally (F4, F5) for Neutron and Photon [1/cm2/s]:

I [mA] * 1.E-3 / (e-=1.60218E-19) = 6.2415E+15 * I [mA] = 1.56045E+18 (I=250 mA)

- Heating Tally (F6:n,p) by neutrons and photons [W/g]:

I [mA] * 1.E-3 (MeV/J=1.60218E-13)/(e=1.602177E-19 C)= I [mA] *1.E+3 =2.5E+5 (I=250mA)

- Heating in material M using mean flux in Cell estimated by tally F4 [W/g]:F4:n cellFM4 I [mA] * 1.E+3 *atom/gramm_denisity M -1 -4F4:p cellFM4 I [mA] * 1.E+3 *atom/gramm_denisity M -5 -6

- All McDeLicious results (talleis) are normalized per one incident deuteron

Page 38: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 38

Tallies and its normalization (continued)

Displacement Damage Rate caused by neutrons in materials

where:F [n/cm2/s] - neutron flux = F4[n/cm2]* I [mA] * 1.E-3 / (e-=1.602177E-19 C)

- displacement cross sectionDE [MeV*b] - damage energy (available in MT=444)Ed [eV] – threshold energy to displace atom in lattice (e.g., 40 eV for Fe)

Finally:

][]/[][][][ 22 fpys73.1557Ebcm241.EbscmnFfpydpaeDamage_Rat dpa +×−××= σ

]cmnF4[I[mA])Ed(78785.2]fpydpae[Damage_Rat 2××=

Example: dpa/fpy in Iron (material M) which fills the Cell;d-beam current I = 250 mA

F4:n Cell FM4 4.9241E+5 M 444

)eVE(2MeVbDE0.8b ddpa ][/]*[][ ××=σ

Page 39: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 39

Tallies and its normalization (continued)

Gas production rate = gas atoms per 1 target atom over time unit

where:F [n/cm2/s] - neutron flux = F4[n/cm2]* I [mA] * 1.E-3 / (e-=1.602177E-19 C) σgas [b] - gas production cross-section MT=203 (H) or MT=207(He)

Finally:

][][][][][][

22 appm61.Efpys73.1557Ebcm241.EbscmnFfpyappmtionGas_Produc

gas +×+×−××=

=

σ

]cmnF4[I[mA])19696(]fpyappmtion[Gas_Produc 2××= .0

Example: He [appm/fpy] in Iron (material M) which fills the Cell;d-beam current I = 250 mA

F4:n Cell FM4 49.241 M 207

Page 40: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 40

10-6 10-5 10-4 10-3 10-2 10-1 100 101 102109

1011

1013

1015

1017

LFTM

Front Wall

TRM

UTMHFTMBP

Neu

tron

Flux

, 1

/cm

2 /MeV

/s

Neutron Energy, MeV

IFMIF: 40MeV × 250mA

Nuclear Responses in the IFMIF sub-systemsNeutron energy fluxes in the IFMIF

Test Cell global model

IFMIF test cell sub-system

Neutron Flux, 1014 n/cm2/s

Damage (Element), dpa/fpy

Li-jet back Plate (BP) 15.0 66 (Fe) High Flux Test Module (HFTM) 7.3 20 - 55 (Fe) Univers. Test Machine (UTM) 3.5 11 (Fe) Tungsten Moderator (W) 2.0 1.1 (W) Tritium Release module (TRM) 1.1 2.4 (Fe), 3.5 (Be) Low Flux Test Module (LFTM) 0.61 0.65 (Fe) Front wall steel liner 0.01 0.004 (Fe)

Neutron fluxes & dpa in the IFMIF components

Front wall Liner

Li-jet

C

WHFTM

UTM

TRM

LFTMd-beam

Li inject tank

Li quench tank

Front wall Liner

Li-jet

C

WHFTM

UTM

TRM

LFTM

Front wall Liner

Li-jet

C

WHFTM

UTM

TRM

LFTMd-beam

Li inject tank

Li quench tank

BP

S.P. Simakov et al. Fus.Eng.Des.75-79(2005)813

Page 41: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 41

0.1

0.20.4

0.6

0.8

1.0

1.21.3

1.5

1.72.1

2.3

2.7

3.13.5

0

-5

-10

-15

-20

-25

-30

-5 -4 -3 -2 -1 0

Heating[W/g]

Y Ax

is (v

ertic

al d

irect

ion)

, cm

Z Axis (d-beam direction), cm

0

0.6

1.3

2.1

2.9

3.6

4.44.8

Nuclear Heating in Eurofer (0 < X < 1 cm)

Nuclear Responses in the IFMIF sub-systems /F4 mesh tallies capabilities/

Model fragment of Li-jet backed by Wall

superimposed mesh tally

Nuclear Heating in Eurofer from F4 mesh tally

d-beam

Li-jet

Bac

k w

all (

Eur

ofer

)

Page 42: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 42

IFMIF neutronics, McDeLicious codeTest Cell geometry model:

further developments

Page 43: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 43

McDeLicious further development

Direct Gamma-source:inclusion of Li(d,xg) photons to account their contribution to the responses

0 10 20 30 40 5010-8

10-6

10-4

10-2

100

Primary γ-Source:Li(d,γ)Secondary γ-Source:

Li(n,xγ)

Primary γ-Source:Li(d,xγ)

Ed = 40 MeV

Phot

on Y

ield

, 1

010 γ

/MeV

/µC

Photon Energy, MeV

Variance reduction:biasing of d-Li source angular distributionto improve statistics for backward directionsand for streaming through the shield

….

Page 44: McDeLicious Workshop - KIT13-14.03.2008 McDelicious Workshop, FZK/IRS 3 History of McDeLicious code development • 1999: McDeLi (P. Wilson, Report FZKA 6218, 1999) - enhancement to

13-14.03.2008 McDelicious Workshop, FZK/IRS 44

IFMIF Test Cell MCNP Model converted by McCAD from CAD

Vertical cut of test cell Horizontal cut at target mid-plane level

H. Tsige-Tamirat et al. Fus. Eng.Des.,82(2007)1956