IAEA0971 STAPRE-H95.
STAPRE-H95, Evaporation and Pre-Equilibrium Model Reaction Cross-Sections Calculations
NAME OR DESIGNATION OF PROGRAM, COMPUTER, NATURE OF PHYSICAL PROBLEM SOLVED, METHOD OF SOLUTION, RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM, TYPICAL RUNNING TIME, UNUSUAL FEATURES OF THE PROGRAM, RELATED AND AUXILIARY PROGRAMS, STATUS, REFERENCES, MACHINE REQUIREMENTS, LANGUAGE, OPERATING SYSTEM OR MONITOR UNDER WHICH PROGRAM IS EXECUTED, ANY OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS, NAME AND ESTABLISHMENT OF AUTHOR, MATERIAL, CATEGORIES
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| Program name | Package id | Status | Status date |
|---|---|---|---|
| STAPRE-H95 | IAEA0971/03 | Tested | 24-JAN-1996 |
Machines used:
| Package ID | Orig. computer | Test computer |
|---|---|---|
| IAEA0971/03 | Many Computers | Many Computers |
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3. NATURE OF PHYSICAL PROBLEM SOLVED
Calculation of energy-averaged cross sections of particle induced nuclear reactions with emission of particles and gamma rays, and fission. The models employed are the Hauser-Feshbach-Moldauer statistical model including a gamma-ray cascade model, and the pre-equilibrium (PE) emission exciton and Geometry-Dependent Hybrid (GDH) models. The optical-potential transmission coefficients are calculated internally by using the optical model code SCAT-2.
Calculation of energy-averaged cross sections of particle induced nuclear reactions with emission of particles and gamma rays, and fission. The models employed are the Hauser-Feshbach-Moldauer statistical model including a gamma-ray cascade model, and the pre-equilibrium (PE) emission exciton and Geometry-Dependent Hybrid (GDH) models. The optical-potential transmission coefficients are calculated internally by using the optical model code SCAT-2.
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4. METHOD OF SOLUTION
Integrations in connection with the composite system de-excitation and residual nuclei population are approximated by summation over equal size energy bins. For the gamma-ray cascades a recursion formula is employed. The Moldauer width-fluctuation correction factor is calculated by use of Simpson's rule. Inclusion of the alpha- particle pre-equilibrium emission made use of the Milano group hypothesis on the preformed alpha-particle existence in the nucleus.
Integrations in connection with the composite system de-excitation and residual nuclei population are approximated by summation over equal size energy bins. For the gamma-ray cascades a recursion formula is employed. The Moldauer width-fluctuation correction factor is calculated by use of Simpson's rule. Inclusion of the alpha- particle pre-equilibrium emission made use of the Milano group hypothesis on the preformed alpha-particle existence in the nucleus.
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5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM
Only one particle induced reaction path can be treated with up to six sequentially emitted particles. Angular distributions of emitted particles and photons are not calculated. Constant energy mesh size and single PE possibility are basic restrictions, too.
Only one particle induced reaction path can be treated with up to six sequentially emitted particles. Angular distributions of emitted particles and photons are not calculated. Constant energy mesh size and single PE possibility are basic restrictions, too.
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6. TYPICAL RUNNING TIME
The calculation of the excitation function for a typical neutron induced activation reaction, with 1 MeV step up to the incident energy of 20 MeV (original STAPRE sample case, with an energy bin size of 0.5 MeV) takes 23 seconds on PC 486/DX2(66MHz) by using the PE exciton model. Use of generalized GDH model requires 174 seconds on PC 486/DX2, 764 seconds on MicroVAX 3100, and 145 seconds on the VAX-Cluster of the Oxford University PNL (calculation for 14.8 MeV incident energy and 0.3 MeV bin size -present sample case 1- requires 39, 158 and 30 seconds respectively).
The calculation of the excitation function for a typical neutron induced activation reaction, with 1 MeV step up to the incident energy of 20 MeV (original STAPRE sample case, with an energy bin size of 0.5 MeV) takes 23 seconds on PC 486/DX2(66MHz) by using the PE exciton model. Use of generalized GDH model requires 174 seconds on PC 486/DX2, 764 seconds on MicroVAX 3100, and 145 seconds on the VAX-Cluster of the Oxford University PNL (calculation for 14.8 MeV incident energy and 0.3 MeV bin size -present sample case 1- requires 39, 158 and 30 seconds respectively).
IAEA0971/03
NEA-DB ran the three test cases included in this package on: (1) VAXStation 3100 M38; (2) PC/P75. Execution times varied between 25sec and 2min on (1); and between 6sec and 20sec on (2).[ top ]
7. UNUSUAL FEATURES OF THE PROGRAM
The generalized GDH model including alpha-particle emission and angular momentum and parity conservation allows consistent PE and Hauser-Feshbach model calculation, of particular interest for the isomeric state populations and production cross sections for gamma rays from low excited levels. The same or different optical potential can be used in both the GDH and Hauser-Feshbach calculations, as well as to provide the GDH intranuclear transition rates. Energy-dependent single-particle state densities, different for excited particles and holes, are used within particle-hole state densities which includes also advanced pairing and shell-effects corrections.
The generalized GDH model including alpha-particle emission and angular momentum and parity conservation allows consistent PE and Hauser-Feshbach model calculation, of particular interest for the isomeric state populations and production cross sections for gamma rays from low excited levels. The same or different optical potential can be used in both the GDH and Hauser-Feshbach calculations, as well as to provide the GDH intranuclear transition rates. Energy-dependent single-particle state densities, different for excited particles and holes, are used within particle-hole state densities which includes also advanced pairing and shell-effects corrections.
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8. RELATED AND AUXILIARY PROGRAMS
STAPRE-H95 is an extended version of the original code STAPRE (M.Uhl), and includes also the optical model code SCAT2 (O.Bersillon) with enlarged optical potential basis and the possibility to handle parameter sets of volume integrals of the real and imaginary potentials. The subroutine HYBRID (M.Blann) was the origin of the generalized GDH model. Energy-dependent single-particle state densities and full geometry-dependent hybrid model description of the alpha-particle PE are used in addition to the previous version available through NEA-DB.
STAPRE-H95 is an extended version of the original code STAPRE (M.Uhl), and includes also the optical model code SCAT2 (O.Bersillon) with enlarged optical potential basis and the possibility to handle parameter sets of volume integrals of the real and imaginary potentials. The subroutine HYBRID (M.Blann) was the origin of the generalized GDH model. Energy-dependent single-particle state densities and full geometry-dependent hybrid model description of the alpha-particle PE are used in addition to the previous version available through NEA-DB.
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10. REFERENCES
- M. Uhl and B. Strohmaier:
STAPRE
IRK-Vienna Report IRK-76/01 )1976, Upd. 1978)
- M. Blann:
Rochester University Report COO-3494-10 (1973)
- O. Bersillon:
SCAT2
CE Bruyeres-le-Chatel CEA-N-2227 (1981)
- M. Avrigeanu, M. Ivascu and V. Avrigeanu:
IPNE-Bucharest Report NP-63-1987 (Upd. 1988)
- M. Avrigeanu, V. Avrigeanu, G. Cata, M. Ivascu:
Revue Roumaine de Physique 32, 837 (1987)
- M. Avrigeanu, V. Avrigeanu and M. Ivascu:
Z. Phys. A329, 177 (1988); A335, 229 (1990)
- M. Avrigeanu, P.E. Hodgson and A.J. Koning:
J.Phys. G:19, 745 (1993)
- M. Avrigeanu et al.:
J.Phys. G:21, 837 (1995)
- M. Avrigeanu, A. Harangozo and V. Avrigeanu:
IPNE-Bucharest Report NP-85-1995 (1995)
- M. Uhl and B. Strohmaier:
STAPRE
IRK-Vienna Report IRK-76/01 )1976, Upd. 1978)
- M. Blann:
Rochester University Report COO-3494-10 (1973)
- O. Bersillon:
SCAT2
CE Bruyeres-le-Chatel CEA-N-2227 (1981)
- M. Avrigeanu, M. Ivascu and V. Avrigeanu:
IPNE-Bucharest Report NP-63-1987 (Upd. 1988)
- M. Avrigeanu, V. Avrigeanu, G. Cata, M. Ivascu:
Revue Roumaine de Physique 32, 837 (1987)
- M. Avrigeanu, V. Avrigeanu and M. Ivascu:
Z. Phys. A329, 177 (1988); A335, 229 (1990)
- M. Avrigeanu, P.E. Hodgson and A.J. Koning:
J.Phys. G:19, 745 (1993)
- M. Avrigeanu et al.:
J.Phys. G:21, 837 (1995)
- M. Avrigeanu, A. Harangozo and V. Avrigeanu:
IPNE-Bucharest Report NP-85-1995 (1995)
IAEA0971/03, included references:
- M. Avrigeanu and V. Avrigeanu:Development of a Computerized System for the storage, Retrieval
and Optimization of Optical Model Parameters for Nuclear Data
Computations
IPNE-Bucharest Report No. NP-83-1994 (October 1994)
- M. Avrigeanu and V. Avrigeanu:
Recent improvements of the STAPRE-H95 Preequilibrium and
Statistical Model Code
IPNE-Bucharest Report No. NP-86-1995 (September 1995)
- M. Avrigeany and V. Avrigeanu:
Energy-Dependent Single-Particle State Density effects in the
Hybrid Model of Pre-Equilibrium Nuclear Reactions
J.Phys. G:20, 613-635(1994)
- M. Ivascu, M. Avrigeanu and V. Avrigeanu:
Nuclear Structure Effects on Calculated Fast Neutron Reaction
Cross Sections
Revue Roumaine de Physique, Tome 37 no.2 139-150 (1992)
- M. Ivascu, M. Avrigeanu and V. Avrigeanu:
Nuclear Level Densities in the Mass Range
Revue Roumaine de Physique, Tome 32 no.7 697-712 (1992)
- V. Avrigeanu, P.E. Hodgson and M. Avrigeanu:
Global Optical Potentials for Emitted Alpha Particles
Physical Review C, Vol.49, no.4 2136-2141 (1994)
- V. Avrigeanu, P.E. Hodgson and M. Avrigeanu:
Int. Conf. on Nuclear Data for Science and Technology,
9-13 May, 1994, Gatlinburg, Tennessee pp 496-498
- M. Avrigeanu and P.E. Hodgson:
Comparative Semi-Classical and Quantum-Mechanical Nucleon Pre
Equilibrium Emission Calculations
ICTP- IC/92/31 (1992)
- M. Avrigeanu and V. Avrigeanu:
Pre-Equilibrium Assumptions and Statistical Model Parameters
Effects on Reaction Cross-Section Calculations
ICTP- IC/92/32 (1992)
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11. MACHINE REQUIREMENTS
The MS-FORTRAN 77 Compiler v. 3.31 and Linker v. 3.04 generate an executable load module of about 800KB, with a
packed version of about 432 KB and a minimum load size of about 578KB. Two permanent files and eight local files require about 530KB.
The MS-FORTRAN 77 Compiler v. 3.31 and Linker v. 3.04 generate an executable load module of about 800KB, with a
packed version of about 432 KB and a minimum load size of about 578KB. Two permanent files and eight local files require about 530KB.
IAEA0971/03
The program has been implemented by NEA-DB both on aVAXStation 3100 M38; and a PC Brett Pentium 75 with 75MHz and 16 MB of RAM.
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IAEA0971/03
OpenVMS 6.1 for VAXStation 3100; MS-DOS 6.2 with compiler MS FORTRAN 5.10 for PC/P75.[ top ]
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IAEA0971/03
| File name | File description | Records |
|---|---|---|
| IAEA0971_03.001 | Information file | 146 |
| IAEA0971_03.002 | Source program segment for PC | 2168 |
| IAEA0971_03.003 | Source program segment for VAX | 2168 |
| IAEA0971_03.004 | Source program segment | 1224 |
| IAEA0971_03.005 | Source program segment | 1247 |
| IAEA0971_03.006 | Source program segment | 1337 |
| IAEA0971_03.007 | Source program segment | 822 |
| IAEA0971_03.008 | Source program segment | 888 |
| IAEA0971_03.009 | Source program segment | 1561 |
| IAEA0971_03.010 | Source program segment | 1663 |
| IAEA0971_03.011 | Source program segment | 1203 |
| IAEA0971_03.012 | Executable file for PC | 0 |
| IAEA0971_03.013 | User's Manual | 555 |
| IAEA0971_03.014 | Batch file to compile, link and run on PC | 8 |
| IAEA0971_03.015 | MS utility NMAKE description file for update | 36 |
| IAEA0971_03.016 | JCL to compile, link and run on VAX | 17 |
| IAEA0971_03.017 | Sample input for case 1 | 277 |
| IAEA0971_03.018 | Sample input for case 2 | 194 |
| IAEA0971_03.019 | Sample input for case 3 | 245 |
| IAEA0971_03.020 | Sample output (PC) for case 1 | 1066 |
| IAEA0971_03.021 | Sample output (PC) for case 2 | 563 |
| IAEA0971_03.022 | Sample output (PC) for case 3 | 1188 |
| IAEA0971_03.023 | Sample output (VAX) for case 1 | 1065 |
| IAEA0971_03.024 | Sample output (VAX) for case 2 | 562 |
| IAEA0971_03.025 | Sample output (VAX) for case 3 | 1179 |
| IAEA0971_03.026 | DOS file-names | 25 |
Keywords: cross sections, emission spectra, gamma radiation, nuclear models, optical models, statistical models.