NEA-1708 ADEFTA 4.1.
ADEFTA 4.1, Atomic Densities for Transport Analysis
NAME OR DESIGNATION OF PROGRAM, COMPUTER, DESCRIPTION OF PROGRAM OR FUNCTION, TYPICAL RUNNING TIME, RELATED OR AUXILIARY PROGRAMS, STATUS, REFERENCES, REQUIREMENTS, LANGUAGE, OPERATING SYSTEM, OTHER RESTRICTIONS, NAME AND ESTABLISHMENT OF AUTHORS, MATERIAL, CATEGORIES
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| Program name | Package id | Status | Status date |
|---|---|---|---|
| ADEFTA 4.1 | NEA-1708/06 | Tested | 30-MAY-2012 |
Machines used:
| Package ID | Orig. computer | Test computer |
|---|---|---|
| NEA-1708/06 | Linux-based PC | Linux-based PC |
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3. DESCRIPTION OF PROGRAM OR FUNCTION
ADEFTA is a script file for any UNIX/Linux platform that uses only Bourne Shell commands and the "awk" UNIX (and Linux) utility in order to calculate the atomic densities related to any compositional model for transport analysis. The output produced by ADEFTA can be useful for applications with many transport codes. However ADEFTA is particularly addressed to users of both the GIP code, which prepares macroscopic cross-sections for the DORT and TORT deterministic transport codes, and the Monte-Carlo MCNP code. GIP, DORT and TORT are all included in the DOORS package (ORNL, USA).
ADEFTA output normally consists of two files: the former for "general use" since the atomic density (atom/(barn*cm)) for each isotope contained in a material mixture of an input compositional model is reported together with the corresponding atomic fraction in the material or mixture, the latter more directly addressed to MCNP and only containing the atomic fractions. A third output file addressed to GIP is optionally produced too. This file requires the inclusion of the total working library array (14** data entries) to be complete for a GIP run.
ADEFTA needs the following input files:
1. the data base file with atomic weights and isotopic abundances (distributed with the script file);
2. the input compositional file related to the problem to be dealt with;
3. the FIDO format library index file (optional; required only if the generation of an input file to the GIP code is also to be produced).
Users can easily define in the input compositional file materials consisting of various natural elements or expressed by one or more chemical formulae (for example UO2, H2O, B2O3), each component (natural element or formula) with its own weight fraction and with the possibility to define a particular enrichment of the related isotopes. In such a case users must refer in the ADEFTA input compositional file directly to the precise isotopes instead of the natural elements.
When defining a material, users can decide, according to the input modalities of ADEFTA, if they want to calculate the atomic densities of the natural elements composing the material or to let ADEFTA automatically split them into the single related isotopes. They can also define mixtures, particularly oriented to produce the input file for GIP, in order to calculate the atomic densities of a homogenized mixture consisting of different materials, each of them with its own volumetric fraction (for example, as in a fuel cell). It is also possible to define a void region in a mixture with its own volumetric fraction.
ADEFTA sums the density contributions of the same isotopes with different origins that are present in a material or mixture. However it is also possible to distinguish such contributions. For instance, let us suppose that our mixture consists of a volume fraction of water and of another volume fraction of a material containing also hydrogen. ADEFTA allows users not to join hydrogen density coming from water with that from the another material. This option is indispensable when our working library contains different processed files for the same natural element or isotope and we want to refer to a specific processed file of our working library.
ADEFTA is a script file for any UNIX/Linux platform that uses only Bourne Shell commands and the "awk" UNIX (and Linux) utility in order to calculate the atomic densities related to any compositional model for transport analysis. The output produced by ADEFTA can be useful for applications with many transport codes. However ADEFTA is particularly addressed to users of both the GIP code, which prepares macroscopic cross-sections for the DORT and TORT deterministic transport codes, and the Monte-Carlo MCNP code. GIP, DORT and TORT are all included in the DOORS package (ORNL, USA).
ADEFTA output normally consists of two files: the former for "general use" since the atomic density (atom/(barn*cm)) for each isotope contained in a material mixture of an input compositional model is reported together with the corresponding atomic fraction in the material or mixture, the latter more directly addressed to MCNP and only containing the atomic fractions. A third output file addressed to GIP is optionally produced too. This file requires the inclusion of the total working library array (14** data entries) to be complete for a GIP run.
ADEFTA needs the following input files:
1. the data base file with atomic weights and isotopic abundances (distributed with the script file);
2. the input compositional file related to the problem to be dealt with;
3. the FIDO format library index file (optional; required only if the generation of an input file to the GIP code is also to be produced).
Users can easily define in the input compositional file materials consisting of various natural elements or expressed by one or more chemical formulae (for example UO2, H2O, B2O3), each component (natural element or formula) with its own weight fraction and with the possibility to define a particular enrichment of the related isotopes. In such a case users must refer in the ADEFTA input compositional file directly to the precise isotopes instead of the natural elements.
When defining a material, users can decide, according to the input modalities of ADEFTA, if they want to calculate the atomic densities of the natural elements composing the material or to let ADEFTA automatically split them into the single related isotopes. They can also define mixtures, particularly oriented to produce the input file for GIP, in order to calculate the atomic densities of a homogenized mixture consisting of different materials, each of them with its own volumetric fraction (for example, as in a fuel cell). It is also possible to define a void region in a mixture with its own volumetric fraction.
ADEFTA sums the density contributions of the same isotopes with different origins that are present in a material or mixture. However it is also possible to distinguish such contributions. For instance, let us suppose that our mixture consists of a volume fraction of water and of another volume fraction of a material containing also hydrogen. ADEFTA allows users not to join hydrogen density coming from water with that from the another material. This option is indispensable when our working library contains different processed files for the same natural element or isotope and we want to refer to a specific processed file of our working library.
NEA-1708/06
NEW VERSION DIFFERS FROM PREVIOUS VERSIONS------------------------------------------
ADEFTA Version 4.1 differs from version 4.0 in a format detail in the group cross-section library index file oriented to the automatic generation of an input to the GIP code.
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10. REFERENCES
- W. A. RHOADES, R. L. CHILDS, "RSIC Computer Code Collection DOORS-3.1, GIP: Group-Organized Cross Section Input Program", RSIC Code PACKAGE CCC-650, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA.
- W. A. RHOADES, R. L. CHILDS, "RSIC Computer Code Collection DOORS-3.1, DORT: A Two-dimensional Discrete Ordinates Transport Code", RSIC Code PACKAGE CCC-650, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA.
- W. A. RHOADES, D. B. SIMPSON, "The TORT Three-dimensional Discrete Ordinates Neutron/Photon Transport Code (TORT Version 3)", ORNL/TM-13221, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA (1997).
- "MCNP - A General Monte Carlo N-Particle Transport Code. Version 4c." LA-1309-M, Los Alamos National Laboratory, Los Alamos, New Mexico, USA (March 2000).
- J. K. TULI, "Nuclear Wallet Cards (6th edition)", National Nuclear Data Centre, Brookhaven National Laboratory, Upton, New York 11973-5000, USA (January 2000).
- D. G. CEPRAGA, "NEA-1638: ANITA-2000, Isotope Inventories from Neutron Irradiation, for Fusion Applications", ENEA - Centro Ricerche Energia 'E. Clementel' , Bologna, Italy (November 2000).
- "Web Elements, the periodic table on the WWW, URL: http://www.webelements.com/ ", The University of Sheffield and WebElements Ltd, UK (Copyright 1993-2003).
- J.E. WHITE, D.T. INGERSOLL, R.Q. WRIGHT, H.T. HUNTER, C.O. SLATER, N.M. GREENE, R.E. MacFARLANE, R.W. ROUSSIN, "Production and Testing of the Revised VITAMIN-B6 Fine-Group and the BUGLE-96 Broad-Group Neutron/Photon Cross-Sections Libraries Derived from ENDF/B-VI.3 Nuclear Data", NUREG/CR-3214, Revision 1, ORNL-6795/R1. Documentation release for DCL-185/BUGLE-96 RSICC Code Package, July 1999, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA.
- "Prediction of Neutron Embrittlement in the Reactor Pressure Vessel: VENUS-1 and VENUS-3 Benchmarks", NEA/NSC/DOC(2000)5.
- W. A. RHOADES, R. L. CHILDS, "RSIC Computer Code Collection DOORS-3.1, GIP: Group-Organized Cross Section Input Program", RSIC Code PACKAGE CCC-650, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA.
- W. A. RHOADES, R. L. CHILDS, "RSIC Computer Code Collection DOORS-3.1, DORT: A Two-dimensional Discrete Ordinates Transport Code", RSIC Code PACKAGE CCC-650, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA.
- W. A. RHOADES, D. B. SIMPSON, "The TORT Three-dimensional Discrete Ordinates Neutron/Photon Transport Code (TORT Version 3)", ORNL/TM-13221, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA (1997).
- "MCNP - A General Monte Carlo N-Particle Transport Code. Version 4c." LA-1309-M, Los Alamos National Laboratory, Los Alamos, New Mexico, USA (March 2000).
- J. K. TULI, "Nuclear Wallet Cards (6th edition)", National Nuclear Data Centre, Brookhaven National Laboratory, Upton, New York 11973-5000, USA (January 2000).
- D. G. CEPRAGA, "NEA-1638: ANITA-2000, Isotope Inventories from Neutron Irradiation, for Fusion Applications", ENEA - Centro Ricerche Energia 'E. Clementel' , Bologna, Italy (November 2000).
- "Web Elements, the periodic table on the WWW, URL: http://www.webelements.com/ ", The University of Sheffield and WebElements Ltd, UK (Copyright 1993-2003).
- J.E. WHITE, D.T. INGERSOLL, R.Q. WRIGHT, H.T. HUNTER, C.O. SLATER, N.M. GREENE, R.E. MacFARLANE, R.W. ROUSSIN, "Production and Testing of the Revised VITAMIN-B6 Fine-Group and the BUGLE-96 Broad-Group Neutron/Photon Cross-Sections Libraries Derived from ENDF/B-VI.3 Nuclear Data", NUREG/CR-3214, Revision 1, ORNL-6795/R1. Documentation release for DCL-185/BUGLE-96 RSICC Code Package, July 1999, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA.
- "Prediction of Neutron Embrittlement in the Reactor Pressure Vessel: VENUS-1 and VENUS-3 Benchmarks", NEA/NSC/DOC(2000)5.
NEA-1708/06, included references:
- R. Orsi:ADEFTA version 4.1: A Program to Calculate the Atomic Densities of a
Compositional Model for Transport Analysis (FPN-P9H6-010, May 2008)
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NEA-1708/06
TESTED at the NEA DB on- COMPUTER : Virtual machine Intel(R) 686 32 bit 512 MB ram
- OPERATING SYSTEM : Linux UBUNTU Lucid 10.04
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NEA-1708/06
- ADEFTA-4.1-INFO.FIL: Information file- README: Read-me file with ADEFTA 4.1 generalities
- FPN-P9H6-010_rev0.pdf: Report with ADEFTA 4.1 description and manual
- adefta4.1: ADEFTA 4.1 script file
- standard_aw_iso_abu.dat: Standard data base file with atomic weights and
isotopic abundances
- standard_aw_iso_abu_IRPhE.dat: Standard data base file with atomic weights and
isotopic abundances as recommended in the OECD/NEA IRPhE project
- Test\: Directory containing all input, output and read-me files to perform
ADEFTA test cases
- README_test: Read-me file with test case information
- aw_iso_abu_venus.dat: Test case data base file with atomic weights and
isotopic abundances (obtained from file standard_aw_iso_abu.dat with a few
changes addressed to both test cases (VENUS-1 and VENUS-3))
- lib_gip_09-15_bugle96.index: BUGLE-96 library index file necessary to produce
a partial GIP input file
- lib_gip_16-22_bugle96t.index: BUGLE-96T library index file necessary to
produce a partial GIP input file
- lib_gip_partial_bugle96.index_venus1: FIDO format library index file for test
case 1 (VENUS-1) necessary to produce a partial GIP input file
- venus1_adefta.inp: Compositional input file for test case 1 (VENUS-1)
- venus3_adefta.inp: Compositional input file for test case 2 (VENUS-3)
- Out\: Directory containing the following 6 ADEFTA output files
- venus1: general purpose output file for test case 1
- venus1.gip: MCNP oriented output file for test case 1
- venus1.mcnp: GIP oriented output file for test case 1
- venus3: general purpose output file for test case 2
- venus3.gip: MCNP oriented output file for test case 2
- venus3.mcnp: GIP oriented output file for test case 2
Keywords: atomic densities, isotopic densities, radiation transport.