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SP-FISPACT2001<br />

A COMPUTER CODE FOR ACTIVATION AND DECAY<br />

CALCULATIONS FOR INTERMEDIATE ENERGIES.<br />

A CONNECTION OF FISPACT WITH MCNPX.<br />

SP-FISPACT2001<br />

UN CODICE PER CALCOLI DI ATTIVAZIONE E<br />

DECADIMENTO PER ENERGIE INTERMEDIE.<br />

CONNETTENDO FISPACT CON MCNPX.<br />

C. Petrovich<br />

<strong>ENEA</strong>, Bologna, unità ERG-SIEC-FIRE<br />

1


ABSTRACT<br />

The calculation of the number of atoms and the activity of materials following nuclear<br />

interactions at incident energies up to several GeV is necessary in the design of Accelerator<br />

Driven Systems, Radioactive Ion Beam and proton accelerator facilities such as <strong>sp</strong>allation<br />

neutron sources. As well as the radioactivity of the materials, this allows the evaluation of<br />

the formation of active gaseous elements and the assessment of possible corrosion<br />

problems. The particle energies involved here are higher than those used in typical nuclear<br />

reactors and fusion devices for which many codes already exist.<br />

These calculations can be performed by coupling two different computer codes: MCNPX<br />

and SP-FISPACT. MCNPX performs Monte Carlo particle tran<strong>sp</strong>ort up to energies of<br />

several GeV. SP-FISPACT is a modification of FISPACT, a code designed for fusion<br />

applications and able to calculate neutron activation for energies


TABLE OF CONTENTS<br />

1. Introduction ............................................................................... 7<br />

2. Utilization and limitations of SP-FISPACT2001............ ....... 7<br />

3. Calculations with SP-FISPACT2001 ....................................... 9<br />

3.1 Preparation of the outputs of MCNPX .................................................. 9<br />

3.2 Preparation of the preliminary input COLLAPX ................................ 11<br />

3.3 Preparation of the main input ................................................................. 13<br />

4. Warnings .................................................................................... 14<br />

5. Conclusions ................................................................................ 16<br />

APPENDIX A ................................................................................ 17<br />

APPENDIX B ................................................................................. 25<br />

References ...................................................................................... 28<br />

5


1. Introduction<br />

The purpose of this report is to show how to calculate the number of atoms and the activity of<br />

materials following nuclear interactions (at incident energies up to several GeV) by means of<br />

two different computer codes: MCNPX [1] and SP-FISPACT.<br />

These calculations allow the evaluation of the radioactivity of the materials, of the formation<br />

of active gaseous elements as well as the assessment of possible corrosion problems.<br />

This work has been stimulated by projects concerning Accelerator Driven Systems [2] (the<br />

aim being energy production and transmutation of radioactive waste) and Radioactive Ion<br />

Beam facilities [3] and can be applied also to other proton accelerator facilities, such as<br />

<strong>sp</strong>allation neutron sources. In all these systems the particle energies are higher than those used<br />

in typical nuclear reactors and fusion devices (energies up to some GeV instead of energies<br />

under 20MeV) for which many codes already exist.<br />

FISPACT2001 [4] is a code designed for fusion applications and able to calculate activation<br />

caused by neutron fluxes with energies


protons) in a 3-D geometry. Neutron fluxes can thus be calculated and provided as input to<br />

FISPACT for activation calculation for E


SP-FISPACT, together with these cross-sections, stores the „pseudo cross-sections‟ in this file<br />

and, thus, the different utilization of SP-FISPACT with re<strong>sp</strong>ect to FISPACT concerns only<br />

the way the file COLLAPX is prepared by the input file „collapx.i‟.<br />

See APPENDIX A for the detailed modifications to the subroutines of FISPACT2001 and<br />

APPENDIX B for the definition of the „pseudo cross-section‟.<br />

3. Calculations with SP-FISPACT2001<br />

The procedure for carrying out the calculations is shown in the following page and is<br />

explained here step by step.<br />

3.1 Preparation of the outputs of MCNPX<br />

The MCNPX input file requires the following cards :<br />

- „f4:n‟. This card calculates the volumetric neutron flux. Choose one of the energy group<br />

structures of FISPACT2001 (XMAS, VITAMIN-J, TRIPOLI, see [4]) 2 and, using the card<br />

„e4‟, define the energy bins accordingly.<br />

- „histp‟. This card creates the file „histp‟ (it can be quite a lengthy file). This file is postprocessed<br />

by the code 3 HTAPE3X [1] for calculation of residual nuclei per source proton<br />

after interactions >20MeV.<br />

Two output files are needed from HTAPE3X: the first providing the elastic collisions (this<br />

output file must be called „elast‟), the second providing the residual nuclei after elastic<br />

and inelastic collisions above 20MeV (this ouput file must be called „resid‟):<br />

1. htape3x int=int1 outt=elast<br />

(„int1‟ is the input file for HTAPE3X with the options IOPT=115 and KOPT=2. „elast‟ is the<br />

output containing the elastic collisions).<br />

Here is an example for int1:<br />

Elastic collision<br />

in 25 cells<br />

115,,,,2,25,,,,/<br />

15,20,25,30,44,46,48,52,54,56,58,60,62,64,92,94,96,98,104,<br />

106,108,110,112,114,116<br />

2 The group structures GAM-II and WIMS are not suitable since their highest energy values are re<strong>sp</strong>ectively 14.9<br />

MeV and 10 MeV.<br />

3 This code belongs to the MCNPX package.<br />

9


output<br />

(with flux


2. htape3x int=int2 outt=resid<br />

(„int2‟ is the input file for HTAPE3X with the options IOPT=108 and KOPT=0. „resid‟ is the<br />

output containing the residual nuclei).<br />

Here is an example for int2:<br />

Residual nuclei<br />

in 25 cells<br />

108,,,,0,25,,,,/<br />

15,20,25,30,44,46,48,52,54,56,58,60,62,64,92,94,96,98,104,<br />

106,108,110,112,114,116<br />

Until now this is just a standard MCNPX procedure.<br />

SP-FISPACT2001 will read the values of „resid‟ (stable and metastable isotopes) and subtract<br />

these values from „elast‟ to obtain the residual nuclei per source proton; finally it will create<br />

the preliminary file COLLAPX with the new pseudo cross-sections.<br />

3.2 Preparation of the preliminary input COLLAPX<br />

The file FLUXES for FISPACT needs to be prepared with the values of the flux <strong>sp</strong>ectrum<br />

under 20 MeV as provided by MCNPX.<br />

In order to prepare properly the preliminary input „collapx.i‟ for SP-FISPACT, the user must<br />

<strong>sp</strong>ecify before the code word COLLAPSE: the value of the flux under 20MeV irradiating the<br />

material, the source proton current used, the material irradiated and the number of atoms of<br />

this material. Five new code words have been introduced for this purpose: CURRENT,<br />

TARGET, ATTARGET, HCOLLAPSE, TCOLLAPSE.<br />

The file collapx.i has to be prepared following these steps:<br />

1. Input the integrated flux under 20MeV using the code word FLUX (this is a standard<br />

FISPACT code word, but it has to be <strong>sp</strong>ecified also in the preliminary input and not only in<br />

the main input). If activation calculations are needed only above 20MeV then enter in any<br />

case a value of the flux as well as a <strong>sp</strong>ectrum of the flux in the file FLUXES. These will be<br />

fictitious values without any consequence for the results. Use a realistic value, such as FLUX<br />

1E15 (see WARNINGS n. 5 at page 14).<br />

Example: if there is a flux under 20MeV of 10 14 neutrons/cm 2 sec, then write: FLUX 1E14.<br />

2. Input the proton current (in mA) used as source particles in MCNPX. Since the results in<br />

MCNPX are, as stated above, provided as residual nuclei per source particle, the value of the<br />

current has to be fixed in order to provide the correct number of residual nuclei per second.<br />

The new code word is CURRENT.<br />

Example: if the proton current of the accelerator is 3mA, then write: CURRENT 3.<br />

11


3. Input the main nuclide which composes the material irradiated in the MCNPX problem.<br />

The isotope must be indicated with the ID number as used internally by FISPACT (see [9] or<br />

the file EAF_INDEX_20010 in the directory „eaf2001‟). It is allowed to input only a single<br />

isotope. If the material is composed of more than one isotope then choose the most abundant.<br />

SP-FISPACT2001 will perform calculations as if all the residual nuclei provided by<br />

HTAPE3X were produced by this isotope.<br />

The new code word is TARGET.<br />

Example: if the material irradiated is natural Pb, Pb 208 can be chosen as representative of the<br />

whole material and write TARGET 1631.<br />

4. Input the number of atoms of the isotope chosen in the above paragraph. The new code<br />

word is ATTARGET.<br />

Example: if there are 1E29 atoms of Pb 208 , then write: ATTARGET 1E29.<br />

5. The standard code word NOERROR (see [4], p. 44) must be used because the error data<br />

for the interactions above 20MeV are not present.<br />

6. Specify one of the following two new code words as alternative to the standard code word<br />

COLLAPSE: TCOLLAPSE or HCOLLAPSE.<br />

-TCOLLAPSE stands for „Total Collapse‟. This code word collapses both the standard<br />

FISPACT cross-sections and the pseudo cross-sections >20MeV. All the values are written in<br />

the file COLLAPX.<br />

Example: if the cross section library in 175 groups is to be used, then: TCOLLAPSE 175.<br />

-HCOLLAPSE stands for „High Collapse‟. This code word collapses only the pseudo crosssection<br />

>20MeV created from MCNPX and not the standard FISPACT2001 cross-section.<br />

This option can be used if only the effects of interactions >20MeV are to be investigated.<br />

Example: HCOLLAPSE 175.<br />

Here is an another example of preliminary input file „collapx.i‟ for an accelerator of 30mA,<br />

providing a flux under 20MeV of 3.43E14 neutrons/cm 2 sec in 4.92E25 atoms of 9 Be. The<br />

energy group VITAMIN-J is used under 20MeV.<br />

FLUX 3.43E14<br />

CURRENT 30<br />

TARGET 15<br />

ATTARGET 4.92E25<br />

NOERROR<br />

TCOLLAPSE 175<br />

FISPACT<br />

* COLLAPSE VITAMIN-J<br />

END<br />

* END OF RUN<br />

/*<br />

12


As in the standard FISPACT procedure prepare the preliminary file arrayx.i and run:<br />

<strong>sp</strong>fi<strong>sp</strong>01 collapx.out<br />

<strong>sp</strong>fi<strong>sp</strong>01 arrayx.out<br />

3.3 Preparation of the main input<br />

The main input is a standard FISPACT input with the following constraints:<br />

1. It is necessary to use the code word FUEL (with the DENSITY code word) and not the<br />

code word MASS.<br />

2. The number of atoms of the material irradiated in MCNPX and <strong>sp</strong>ecified in the<br />

preliminary input (code word ATTARGET) has to be provided again with the code word<br />

FUEL (it must obviously have the same value).<br />

3. The value of the flux under 20MeV has to be provided again (it must obviously have the<br />

same value).<br />

Here is an example of the main input for the same example as the previous preliminary input:<br />

AINP<br />

FISPACT<br />

*Residual nuclei at all energies<br />

DENSITY 1.8477<br />

FUEL 1<br />

BE9 4.92E25<br />

MIND 1.0E5<br />

FLUX 3.43E14<br />

ATOMS<br />

LEVEL 100 8<br />

TIME 1 YEARS<br />

ATOMS<br />

FLUX 0.<br />

ZERO<br />

TIME 1 HOURS<br />

ATOMS<br />

END<br />

* END<br />

/*<br />

Finally, run:<br />

<strong>sp</strong>fi<strong>sp</strong>01 output<br />

13


4. Warnings<br />

1. Not all the nuclides provided by MCNPX are included in the EAF2001 decay data library<br />

[9] (the missing nuclides are usually neutron-rich nuclides for low Z and neutron-deficient<br />

nuclides for high Z). This follows from the fact that residual nuclei are calculated by MCNPX<br />

by means of physics models while those included in EAF2001 are based on experimental<br />

evaluations. These nuclides are expunged by SP-FISPACT2001 and highlighted in the output<br />

of the collapse process (collapx.out). In the cases analysed they represent 20%-45% of the<br />

total number of nuclides and about 1%-25% of the total residual nuclei production. The<br />

greatest number of expunged nuclei are obtained for high energy fission on U 238 where many<br />

exotic nuclei are produced. Their contribution seems negligible in a first approximation for<br />

<strong>sp</strong>allation processes (6%) but, depending on their decay modes, the activity could be more<br />

considerable. Since most of these data are publicly available (see [10]), the nuclide inventory<br />

in the EAF2001 decay data library could be increased for this purpose.<br />

2. The production of gas nuclides (H 1 , H 2 , H 3 , He 3 , He 4 ) as a consequence of the nuclear<br />

interactions above 20MeV has not yet been implemented.<br />

3. The production of daughter nuclides is proportional to the number of atoms of the parent<br />

nuclides (see equation (1) in APPENDIX B). Therefore, the decrease with time of the amount<br />

of atoms of the initial material causes a decrease in the production of residual nuclei above<br />

20MeV (see the factor Nj(t)/Nj(0) in APPENDIX B). This should be treated as a burn-up<br />

effect but it is usually negligible even for long period of irradiation (Nj(t)/Nj(0) decreases by<br />

0.5% in value for typical cases). The user should check and evaluate the effect for the<br />

problem under investigation.<br />

4. Even if the material irradiated in MCNPX is composed of more than one isotope only a<br />

single isotope must be chosen in SP-FISPACT2001. This does not affect the residual nuclei<br />

production, but the decrease in time of the number of atoms of the initial material turns out to<br />

be approximated. As mentioned above, this effect is usually negligible (although in principle<br />

all the quantities involving the weight of the material irradiated, such as the DOSE RATE, are<br />

thus modified).<br />

5. The pseudo cross-sections created in the file COLLAPX must have a value higher than<br />

~10 -20 (see equation (3), APPENDIX B). Lower values (they should not occur with usual<br />

physical problems) give rise to errors due to the fact that the arrays are treated as single<br />

precision variables. The user is re<strong>sp</strong>onsible for checking such values.<br />

6. The activity and particle emission (�, �, �) due to the formation of the residual nuclei<br />

described by the physics models (such as residual deexcitation processes) is not included in<br />

the treatment; the duration in time of the whole nuclear interaction process has been<br />

neglected.<br />

7. In the FISPACT main output the values „FLUX‟ and „FLUENCE‟ refer to the values<br />

under 20MeV provided by the user. The values „NUMBER OF FISSION‟ and „HEAT<br />

PRODUCTION‟ and the particle emissions do not include fissions over 20MeV.<br />

8. All the code words concerning uncertainties (such as UNCERTAINTY) are not available.<br />

Also pathway analysis is not a possible option.<br />

9. The highest value of the energy used by FISPACT is 19.64 MeV and the lowest neutron<br />

energy value considered in HTAPE3X is 20MeV. Thus the bin 19.64-20MeV is neglected.<br />

14


10. Benchmarks of MCNPX (physics models at 1GeV) suggest to consider roughly the<br />

degree of accuracy in predicting residual nuclei as a factor of 2 for <strong>sp</strong>allation events and as a<br />

factor of 10 for fission events [6]. This is a general trend, individual isotopes can be<br />

mi<strong>sp</strong>redicted even by 2 orders of magnitude. In the range ~20-100MeV the accuracy of the<br />

models is generally worse than above ~100 MeV.<br />

11. FISPACT can treat only trace amounts of actinides that are able to fission because selfshielding<br />

and burn-up effects are not included (see [4], p.11)<br />

15


5. Conclusions<br />

SP-FISPACT2001 makes possible the calculation of the number of atoms and the activity of<br />

materials following nuclear interactions at energies up to several GeV (for energies


APPENDIX A – Fortran Modifications to FISPACT2001<br />

Only one subroutine has been added to FISPACT2001. The subroutine is called <strong>sp</strong>all.f. The<br />

other modifications to the original code only concern the following subroutines:<br />

fmain.f<br />

col069.f<br />

col100.f<br />

col172.f<br />

col175.f<br />

col315.f<br />

The subroutine fmain.f has been modified in order to add five new code words: CURRENT,<br />

TARGET, ATTARGET, HCOLLAPSE, TCOLLAPSE. All of them concern the<br />

preliminary input.<br />

In FISPACT2001 the subroutines col*.f are called by fmain.f (code word COLLAPSE) in<br />

order to create the file COLLAPX according to the desired energy group structure. The<br />

subroutine <strong>sp</strong>all.f is called by the subroutines col*.f (code words TCOLLAPSE and<br />

HCOLLAPSE) for calculations of the pseudo cross-sections for interactions over 20MeV.<br />

Subroutine <strong>sp</strong>all.f<br />

SUBROUTINE SPALL<br />

C C.Petrovich - <strong>ENEA</strong><br />

C***************************************************************<br />

C SUBROUTINE FOR CALCULATIONS >20MeV.<br />

C IT USES OUTPUTS PRODUCED BY MCNPX 2.1.5 AND HTAPE3X<br />

C***************************************************************<br />

C<br />

CHARACTER*80 FILES<br />

COMMON /FILES1/ FILES(40)<br />

COMMON /SPAL1/ CPFLUX,CURR,IDTARG,ATTARG<br />

COMMON /SPAL3/ NP2(15000),ND2(15000),ZSEKT(15000),MCP2<br />

DOUBLE PRECISION HISOT(0:300,0:300),ELAS(0:300,0:300),EL,HIS,<br />

* HISOTM(0:300,0:300)<br />

PARAMETER (IS=3000)<br />

INTEGER IZ(IS),IN(IS),IA(IS),IZE(IS),INE(IS),<br />

* IZF(IS),INF(IS),IAF(IS),IZM(IS),INM(IS),IAM(IS),<br />

* ID(IS),IDF(0:300,0:300),IDFM(0:300,0:300)<br />

CHARACTER B*6,C*5,D*3<br />

c Protons per second in 1mA<br />

PROTSC=6.24146E15<br />

17


c Initialisation<br />

NUCLF=0<br />

NUCLH=0<br />

NMET=0<br />

EL=0<br />

HIS=0<br />

PERCF=0<br />

PERCN=0<br />

TOTH=0<br />

TOTF=0<br />

DO 5, I=1,IS<br />

IZ(I)=0<br />

IN(I)=0<br />

IA(I)=0<br />

IZE(I)=0<br />

INE(I)=0<br />

IZF(I)=0<br />

INF(I)=0<br />

IAF(I)=0<br />

IZM(I)=0<br />

INM(I)=0<br />

IAM(I)=0<br />

ID(I)=0<br />

5 CONTINUE<br />

DO 11,I=1,300<br />

DO 10,J=1,300<br />

HISOT(I,J)=0<br />

HISOTM(I,J)=0<br />

ELAS(I,J)=0<br />

IDF(I,J)=0<br />

IDFM(I,J)=0<br />

10 CONTINUE<br />

11 CONTINUE<br />

C<br />

C Read elastic collisions from 'elast' (HTAPE3X output).<br />

C 'mean ' points the end of the file<br />

C<br />

OPEN(1,FILE='elast',STATUS='OLD',FORM='FORMATTED')<br />

DO 25, I=1,IS<br />

READ(1,15) C,D<br />

15 FORMAT(5X,A5,3X,A3)<br />

IF (C.EQ.'mean ') GOTO 30<br />

IF (D.EQ.'n =') THEN<br />

BACKSPACE 1<br />

18


READ(1,20) IZE(I),INE(I),EL<br />

20 FORMAT(8X,I3,6X,I3,3X,D11.5)<br />

IF (IZE(I).EQ.0) IZE(I)=IZE(I-1)<br />

ELAS(IZE(I),INE(I))=EL<br />

END IF<br />

25 CONTINUE<br />

C<br />

C Read residual nuclei (with elastic collisions)<br />

C from 'resid' (HTAPE3X output).<br />

C Then elastic collisions are subtracted.<br />

C 'all z' points the end of the file.<br />

C TOTH: sum of residual nuclei per source particle<br />

C NUCLH: total number of nuclides<br />

C<br />

30 OPEN(2,FILE='resid',STATUS='OLD',FORM='FORMATTED')<br />

DO 35, I=1,IS<br />

READ(2,15) C,D<br />

IF (C.EQ.'all z') GOTO 40<br />

IF (D.EQ.'n =') THEN<br />

BACKSPACE 2<br />

READ(2,20) IZ(I),IN(I),HIS<br />

IF (IZ(I).EQ.0) IZ(I)=IZ(I-1)<br />

IA(I)=IN(I)+IZ(I)<br />

HISOT(IZ(I),IN(I))=HIS-ELAS(IZ(I),IN(I))<br />

TOTH=TOTH+HISOT(IZ(I),IN(I))<br />

IF (HISOT(IZ(I),IN(I)).GT.0) NUCLH=NUCLH+1<br />

ENDIF<br />

35 CONTINUE<br />

C<br />

C Read metastable nuclides from 'resid'<br />

C NMET: Number of metastable nuclides<br />

C which are not only metastable<br />

C<br />

40 READ(2,42) B<br />

42 FORMAT(11X,A6)<br />

IF (B.EQ.'metast') THEN<br />

READ(2,'(/)')<br />

DO 48, I=1,IS<br />

READ(2,45) IZM(I),IAM(I),FRACM<br />

45 FORMAT(2X,I3,2X,I3,27X,D11.5)<br />

IF (IZM(I).EQ.0) GOTO 50<br />

IF (.NOT.FRACM.EQ.1) NMET=NMET+1<br />

INM(I)=IAM(I)-IZM(I)<br />

HISOTM(IZM(I),INM(I))=HISOT(IZM(I),INM(I))*FRACM<br />

19


HISOT(IZM(I),INM(I))=HISOT(IZM(I),INM(I))*(1-FRACM)<br />

48 CONTINUE<br />

ENDIF<br />

GOTO 40<br />

C<br />

C Read nuclides from 'EAF_INDEX_20010' (FISPACT2001)<br />

C to identify material numbers of the nuclides<br />

C provided by HTAPE3X.<br />

C Z,N nuclides are recorded in IDF(Z,N)<br />

C Metastable recorded in IDFM(Z,N)<br />

C<br />

50 OPEN(18,FILE=FILES(18),STATUS='UNKNOWN',IOSTAT=IOS)<br />

DO 55, J=1,1922<br />

READ(18,52,END=60) ID(J),IZF(J),IAF(J),M<br />

52 FORMAT (2X,I4,9X,I3,I3,I1)<br />

INF(J)=IAF(J)-IZF(J)<br />

IF (M.EQ.0) IDF(IZF(J),INF(J))=ID(J)<br />

IF (M.EQ.1) IDFM(IZF(J),INF(J))=ID(J)<br />

55 CONTINUE<br />

C<br />

C Record the pseudo-cross-sections in NP2,ND2,ZSEKT<br />

C (variables used for 'COLLAPX').<br />

C MCP2 and NUCLF count the number of lines<br />

C (nuclides of 'resid' also present<br />

C in the file 'EAF_INDEX_20010' of FISPACT2001).<br />

C The expunged nuclides are written in collapx.out.<br />

C TOTF: Total residual nuclei also present in FISPACT.<br />

C<br />

60 WRITE (6,65)<br />

65 FORMAT (/,' WARNING. The following nuclides produced by HTAPE3X ',<br />

*'have not been accepted by FISPACT2001',/,/,11X,'Z A',/)<br />

DO 80, I=1,IS<br />

IF (HISOT(IZ(I),IN(I)).EQ.0) GOTO 75<br />

IF (IDF(IZ(I),IN(I)).EQ.0) THEN<br />

WRITE(6,70) IZ(I),IA(I)<br />

70 FORMAT (8X,I4,1X,I4)<br />

GOTO 75<br />

ELSE<br />

NUCLF=NUCLF+1<br />

MCP2=MCP2+1<br />

TOTF=TOTF+HISOT(IZ(I),IN(I))<br />

NP2(MCP2)=IDTARG<br />

ND2(MCP2)=IDF(IZ(I),IN(I))<br />

ZSEKT(MCP2)=HISOT(IZ(I),IN(I))*PROTSC*CURR/(ATTARG*CPFLUX)<br />

20


GOTO 75<br />

ENDIF<br />

C Same for metastable nuclides<br />

75 IF (HISOTM(IZ(I),IN(I)).EQ.0) GOTO 80<br />

IF (IDFM(IZ(I),IN(I)).EQ.0) THEN<br />

WRITE(6,77) IZ(I),IA(I)<br />

77 FORMAT (8X,I4,1X,I4,'m')<br />

GOTO 80<br />

ELSE<br />

NUCLF=NUCLF+1<br />

MCP2=MCP2+1<br />

TOTF=TOTF+HISOTM(IZ(I),IN(I))<br />

NP2(MCP2)=IDTARG<br />

ND2(MCP2)=IDFM(IZ(I),IN(I))<br />

ZSEKT(MCP2)=HISOTM(IZ(I),IN(I))*PROTSC*CURR/(ATTARG*CPFLUX)<br />

ENDIF<br />

80 CONTINUE<br />

C<br />

C Adds metastable nuclides (NMET) to the number of nuclides (NUCLH).<br />

C Writes out how many nuclides have been expunged by FISPACT.<br />

C<br />

NUCLH=NUCLH+NMET<br />

NUCLF=NUCLH-NUCLF<br />

TOTF=TOTH-TOTF<br />

PERCN=100*(REAL(NUCLF)/REAL(NUCLH))<br />

PERCR=100*(TOTF/TOTH)<br />

WRITE(6,90) NUCLF,NUCLH,PERCN<br />

90 FORMAT(/,1X,'FISPACT2001 has not accepted ',I4,1X,<br />

*'nuclides out of ',I4,' nuclides produced by HTAPE3X (',<br />

*0PF7.3,'%)')<br />

WRITE(6,95) TOTF,TOTH,PERCR<br />

95 FORMAT(1X,'These corre<strong>sp</strong>ond to ',1PE10.4,<br />

*' residual nuclei per source particle out of ',<br />

*1PE10.4,' (',0PF7.3,'%)',/)<br />

c<br />

RETURN<br />

END<br />

21


The differences between the two fmain.f subroutines are the following (the line numbers are<br />

indicated):<br />

332a333,340<br />

> c<br />

> c begin >20MeV C.Petrovich<br />

> c<br />

> COMMON /SPAL1 /CPFLUX,CURR,IDTARG,ATTARG<br />

> COMMON /SPAL2 /FLAGCP<br />

> c<br />

> c end >20MeV C.Petrovich<br />

> c<br />

755c763,767<br />

< +*SEQU*GRPC*EAFV*PULS*ENDP*FISY*UNCT*NEWF*CLEA*SPLI&',4)<br />

---<br />

><br />

+*SEQU*GRPC*EAFV*PULS*ENDP*FISY*UNCT*NEWF*CURR*TARG*ATTA*TCO<br />

L*HCOL*<br />

> +CLEA*SPLI&',4)<br />

> c<br />

> c 20 MeV C.Petrovich. Added in the previous line:<br />

> c *CURR*TARG*ATTA*TCOL*HCOL<br />

775c787,791<br />

< * 1170,1180),J<br />

---<br />

> * 1175,1177,1185,1190,1195,1170,1180),J<br />

> c<br />

> c 20 MeV C.Petrovich. Added in the previous line:<br />

> c 1175,1177,1185,1190,1195,<br />

> c<br />

776a793<br />

> C<br />

1052a1070,1076<br />

> c<br />

> c begin >20MeV C.Petrovich<br />

> c<br />

> CPFLUX=FLUX2<br />

> c<br />

> c end >20MeV C.Petrovich<br />

> c<br />

2403a2428,2456<br />

> c<br />

> c begin >20MeV C.Petrovich<br />

22


c New code words to be input in the preliminary input for collapsing<br />

> c ..........................................................CURR......<br />

> c proton current<br />

> 1175 ICHK=NEWDEC(1)<br />

> CURR=FLDEC(0)<br />

> GO TO 100<br />

> c ..........................................................TARG.....<br />

> c material number<br />

> 1177 ICHK=NEWDEC(1)<br />

> IDTARG=INDEC(0)<br />

> GO TO 100<br />

> c ........................................................ATTARGET...<br />

> c number of atoms of the material number TARG<br />

> 1185 ICHK=NEWDEC(1)<br />

> ATTARG=FLDEC(0)/1E24<br />

> GO TO 100<br />

> c .........................................total collapse...TCOL.....<br />

> c FLAG for collapsing all energies<br />

> 1190 FLAGCP=1<br />

> GO TO 410<br />

> c ..........................................high collapse....HCOL...<br />

> c FLAG for collapsing only interactions >20MeV<br />

> 1195 FLAGCP=2<br />

> GO TO 410<br />

> c<br />

> c end >20MeV C.Petrovich<br />

Since the modifications to the subroutines col*.f are very similar, only the modifications to<br />

the subroutine col175.f are shown.<br />

29,31c29,41<br />

< DIMENSION NUCL(1950),FLUX(176),XSECT(176),ZSECT(24000),<br />

< + ZSEKT(15000),MREAC(114),NP(24000),ND(24000),<br />

< + NP2(15000),ND2(15000),JPAR(1000)<br />

---<br />

> c<br />

> c begin >20MeV C. Petrovich<br />

> c<br />

> c before: DIMENSION NUCL(1950),FLUX(176),XSECT(176),ZSECT(24000),<br />

> c + ZSEKT(15000),MREAC(114),NP(24000),ND(24000),<br />

> c + NP2(15000),ND2(15000),JPAR(1000)<br />

> DIMENSION NUCL(1950),FLUX(176),XSECT(176),ZSECT(24000),<br />

> + MREAC(114),NP(24000),ND(24000),JPAR(1000)<br />

23


COMMON /SPAL3/ NP2(15000),ND2(15000),ZSEKT(15000),MCP2<br />

> COMMON /SPAL2/ FLAGCP<br />

> c<br />

> c end >20MeV C. Petrovich<br />

> c<br />

792a803,815<br />

> c<br />

> c begin >20MeV C. Petrovich<br />

> c FLAGCP>0 for collapsing >20MeV<br />

> c FLAGCP=2 not collapsing IF (FLAGCP.GT.0) THEN<br />

> IF (FLAGCP.EQ.2) M=0<br />

> MCP2=M<br />

> CALL SPALL<br />

> M=MCP2<br />

> ENDIF<br />

> c<br />

> c end >20MeV C. Petrovich<br />

> c<br />

24


APPENDIX B – Definition of ‘pseudo cross-sections’<br />

The number of atoms Ni of the nuclide i produced by the stable nuclide j is governed by the<br />

following equation (without considering fission) 4 :<br />

where:<br />

� is the neutron flux (n cm -2 s -1 )<br />

Nj(t) is the amount of nuclide j at time t<br />

�ij is the reaction cross section for reactions on j producing i (barns).<br />

If there is a fixed number of source particles per second (such as protons in an accelerator)<br />

causing an amount Ni of residual nuclei to be formed in a given material, then the production<br />

of Ni (without decays) is ruled by:<br />

dNi<br />

( t)<br />

dt<br />

where:<br />

„Residual nuclei Ni per source proton‟ is provided by the code HTAPE3X.<br />

The number of „Source protons per sec‟ depends on the current used in the accelerator.<br />

This is the contribution coming from interactions >20MeV to be added in FISPACT2001.<br />

We can define a pseudo cross-section (a fictitious cross-section) such that:<br />

Residual nuclei N<br />

� �<br />

ij<br />

dNi<br />

t)<br />

� ��<br />

ij N j ( t)<br />

�10<br />

dt<br />

( �24<br />

� Residual nuclei N<br />

where:<br />

� is the integral neutron flux under 20MeV (n cm -2 s -1 ).<br />

Nj(0) is the number of atoms of the nuclide j forming the nuclide i at time t=0.<br />

In this way FISPACT will calculate:<br />

4 The complete equation can be found in [4], page 90.<br />

i<br />

i<br />

per source proton * Source protons per sec<br />

per source proton*<br />

Source protons per sec*<br />

10<br />

� * N ( 0)<br />

j<br />

25<br />

(1)<br />

24<br />

(2)<br />

(3)


dNi<br />

( t)<br />

�24<br />

� ��<br />

ij N j ( t)<br />

�10<br />

�<br />

dt<br />

= Residual nuclei Ni per source proton * Source protons per sec * Nj(t)/Nj(0).<br />

If the number of atoms of the initial material remains approximately constant (this is true in<br />

most cases, but the re<strong>sp</strong>onsibility for checking that is left to the user), then Nj(t)/Nj(0)�1 and<br />

we obtain the desired equation (2).<br />

26


Acknowledgements<br />

K.W. Burn provided fruitful discussions.<br />

Disclaimer<br />

Neither the author nor <strong>ENEA</strong> accept re<strong>sp</strong>onsibility for consequences arising from errors in the<br />

present report.<br />

Contact person<br />

Feedback on the use of SP-FISPACT2001 is welcomed. Please contact the author with<br />

comments.<br />

Carlo Petrovich<br />

<strong>ENEA</strong><br />

Via M.M.Sole 4, Bologna 40129<br />

Tel. +39-051-6098517<br />

E-mail: carlop@bologna.enea.it<br />

27


References<br />

[1] Laurie S. Waters, Editor: „MCNPX TM User’s Manual‟, Version 2.1.5, TPO-E83-G-UG-X-<br />

00001, November 14, 1999 (http://mcnpx.lanl.gov/).<br />

[2] C. Rubbia, J.A. Rubio, S. Buono, F.Carminati , N. Fieter, J. Galvez, C. Gelel, Y. Kadi, R.<br />

Klapisch, P. Mandrillon, J.P. Revol and Ch. Roche, „Conceptual Design of a Fast Neutron<br />

Operated High Power Energy Amplifier‟, CERN/AT/95-44(ET).<br />

[3] „SPES, Project Study of an Advanced Facility For Exotic Beams at LNL‟, LNL-INFN<br />

(REP) 145/99, June 1999.<br />

[4] RA Forrest and J-Ch Sublet, „FISPACT-2001: User manual‟, EURATOM/UKAEA<br />

Fusion Association, Culham Science Centre, Abingdon, Oxfordshire OX14 3DB, UK, March<br />

2001 (http://www.fusion.org.uk/easy2001/).<br />

[5] J. F. Briesmeister, editor, ‘MCNP TM - A General Monte Carlo N-Particle Tran<strong>sp</strong>ort Code’,<br />

Los Alamos National Laboratory, LA-12625-M (March 1997).<br />

(http://www-xdiv.lanl.gov/XCI/PROJECTS/MCNP/manual.html).<br />

[6] Yury E. Titarenko et al., Fission Products Yields in Hybrid (ADS) Target Materials<br />

induced by High-Energy Proton, Proc. of the 15 th Int. Workshop on Fission Physics, Obninsk,<br />

Russia, October 2-6, 2000. LA-UR-00-5848.<br />

[7] Yu. N. Shubin , V.P. Lunev, A. Yu. Konobeyev, A.I. Ditjuk, ‘Cross-section data library<br />

MENDL-2 to study activation as trasmutation of materials irradiated by nucleons of<br />

intermediate energies’. report INDC(CCP)-385 (IAEA, May 1995).<br />

[8] Yu.A. Korovin, A.Yu. Konobeyev, P.E. Pereslavtsev, A.Yu. Stankovsky, C. Broeders, I.<br />

Broeders, U. Fischer, U. von Möllendorff, „Evaluated nuclear data files for accelerator<br />

driven systems and other intermediate and high-energy applications’, Nuclear Instr. and<br />

Methods in Physics Research A 463 (2001) p.544-556.<br />

[9] RA Forrest, „The European Activation File: EAF-2001 decay data library‟, UKAEA FUS<br />

452, UK, March 2001.<br />

[10] The Berkeley Laboratory Isotopes Project's, Ernest O. Lawrence Berkeley National<br />

Laboratory, (http://ie.lbl.gov/education/isotopes.htm).<br />

28

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