GRUCON Code Package Status and Projects V V

GRUCON Code Package: Status and Projects V. V. Sinitsa NRC “Kurchatov Institute” Moscow, Russia

Recent presentations 1. Potentials of GRUCON package and GND Structures /WPEC SG 38, May 21 -22, 2013, Paris, France/ 2. The GRUCON Command Language for Nuclear Data Handling /WPEC SG 38, December 9 -11, 2013, Tokai-Mura, Japan/ 3. Probabilistic Representation of Resonance Structure in Nuclear Safety Applications /WPEC SG 38 May 13 -14, 2014, Paris, France/ 4. GRUCON – a Package of Computer Programs for Cross Section Data Processing /NDS IAEA Meeting, October 20 -26, 2014, Vienna, Austria/ IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Topics Background Package architecture Current status Implementation in the NDS IAEA Verification results Future plans and project IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

GRUCON: Original destination In beginning of 60 s, in the IPPE(Obninsk), the Nuclear Data Centre has been created. Since the Geneva Summit in 1955, the free exchange of data was agreed. The data libraries from different countries, with specific data representation formats (KEDAK, UKNDL, ENDF), become available. GRUCON was conceived as a code system for preparation of the group microscopic constants from all variety of data. Over time, the variety of formats has been reduced to ENDF, problem changed, but GRUCON architecture, developed under the original task, has been kept. IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

GRUCON Architecture The GRUCON code is so called “application code package with standardized functional content“, because it includes: command language for describing of some computation scenarios; set of functional modules to fulfil some variety of calculations; system support - set of subroutines and functions for command interpretation, command execution, data preparation to calculations and exchange between different types of memory. IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

GRUCON Flow Chart Script (commands) Command Interpreter and Executer Control Parameters Input Data Files Input modules: Processing modules: Output modules: IN, READ, ENDF, PENDF, GND R/T-S, U/D-F, S/-I-S, S/E-S, S/C-S, S/T-S, S/G-F, F/E-P, P/D-F, AE/-D, S/D-M, M/C-M, AE/-AE, … …. . . OUT, WRITE, ENDF, PENDF, GENDF, ACE, TABLE, PLOT, BNAB, TEMBR Mathematical Functions & Subroutines Registers Library Catalogue Data Access Functions & Subroutines Standardized Representations Library IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015 Output Data Files Tables Plots

Functional modules of GRUCON-D INPUT/OUTPUT *IN *OUT *READ *WRITE *TAB *PLOT *ZVD *ENDF *PENDF *GND *BNAB *TEMBR *ACE PROCESSING *R/T-S *U/D-F *U/D-S *S/A-S *S/C-S *S/E-S *S/I-S *S/P-S *S/T-S *S/Y-S *S/NU-S *S/P-P *S/G-F *S/T-EA *S/D-M *S/G-MF *S/-S *S/-A *S/-P *S/-E *S/O-S *F/C-F *F/E-F *F/G-F *F/S-S *F/I-S *F/C-S *F/E-P *F/O-F *F/-P *F/-S *A/-A *A/-S *AE/-D *AE/-AE *EA/-D *EA/-EA *E/-S *E/G-E *M/C-M *M/D-S *P/D-F *P/C-S *P/-P *TH/-EAS SERVICE *COPY *CONT *EXTR IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015 *ORDER *SELECT *CATLG *ARITH

Example: Shielded Cross Section Preparation , , , init ! Create SDL segment , in ! Enter local parameters , in, 1, endf ! Enter module control parameters: , in, 2, s/i-s ! endf, s/i-s, r/t-s, s/c-s, s/t-s, , in, 3, r/t-s ! u/d-f, f/g-f, s/g-f, f/c-f, gendf , in, 4, s/c-s ! , in, 5, s/t-s ! , in, 6, u/d-f ! , in, 7, s/g-f ! , in, 8, f/g-f ! , in, 9, f/c-f ! , in, 10, gendf ! , 1, 20, sru ! Read data from endf tape 20, 2, 21, s ! Linearize cross sections 20, 3, 21 ! Restore *s* from *r* in RRR 21, 4, 22, s ! Unite cross sections 22, 5, 23, s ! Doppler broadening 20, 6, 24, f ! Restore *f* from *u* in URR 23, 7, 25, f ! Integrate *s* for RRR 24, 8, 25 ! Integrate *f* for URR 25, 9, 26, f ! Unite *f* moments 26, 10 ! Write data to gendf file , , , end !---------------------! Local Parameters: *de: 1 e-5, 150. e 6, *nt: 3, *tem: 300. , 900. , 2100. *eps: 0. 001 !----------------------*endf: ntape=20, nmat=0, nmf=0, nmt=0 *s/i-s: nint=2, *de, *eps *r/t-s: nfor=0, nt=1, *de, *eps, tem=0. *s/c-s: nmat=0, ns=0, *de, *eps. . IAEA NDS Meeting, Vienna, Austria, October 20 -26, 2014

GRUCON-D Certificate of state registration of the computer code “GRUCON-D Computer Program Package (Demo version)”. The right holder is the Federal State Institution “National Research Center Kurchatov Institute”. GRUCON-D is available on request IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Installation Procedure Folders: Data / evaluated data files / Documents / manual / Procedures / procedures for preparing of executable modules and running tests / Programs / sources and update files / Tests / test inputs and results / Batch files: Windows: Linux: Parameters: install. bat install compiler = (intel/gfortran), bits = (32/64) run_tests. bat run_tests run = (old/new) IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

My_ENDF Web page (V. Zerkin, NDS IAEA) IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

My_ENDF Web page (V. Zerkin, NDS IAEA) IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Documentation IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Test 1. Reconstruction Cross Sections for Spin Group IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Test 2. Reconstruction and Doppler broadening IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Test 3. Self-shielding factors IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Test 4. Subgroup Parameters in the URR IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Test 5. ACE Files with Subgroup parameters for unresolved resonances (UR) and Probability Tables for upper part of resolved resonances (RR) RR UR IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015 RR UR

Case A: probability tables for UR Case B: Probability tables for RR and subgroup parameters for UR SCHERZO-556 - imaged critical infinity composition of 5. 56% 235 U and 94. 44% 238 U. k-inf estimation is based on measurements of reactivity coefficients and spectral indexes in critical assemblies SNEAK, ERMINE and HARMONIE Experiment A: UR (CA/E-1)% B: RR+UR (CB/CA-1)% Kinf 1. 000 ± 0. 2% 1. 0008±(1) 0. 08% 1. 0009±(1) 0. 01% F 238/F 235 0. 0227 ± 1. 3% 0. 02234±(1) -1. 60% 0. 02233±(1) -0. 04% C 238/F 235 0. 1154 ± 1. 5% 0. 11552±(3) 0. 10% 0. 11552±(3) 0. 00% IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Test 6. Probability tables in the RRR IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Test 7. Subgroup Correlation Matrices IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Test 8. Angle distribution representations IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Test 9. Scattering on Resonances FG FG MC RS MC IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Test 10. Photo-Atomic Interactions IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Test 11. Thermal scattering IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Test 12. Nuclide production IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

GRUCON-D vs. PREPRO-2015 comparison (D. L. Aldama, V. Sinitsa, A. Trkov) Library: ENDF/B-VII. 1 Materials: H-1, O-16, Fe-56, U 235, U-238, Pu 239 Temperatures: 0 K, 293. 6 K Representations: point wise cross sections (PENDF), group averaged in the 640 SAND-II group structure (MENDF) Weight function: constant Tolerance parameter: EPS=1. e-4 (PREPRO), EPS=1. e-3 (GRUCON) PREPRO-2015 modules: LINEAR, RECENT, FIXUP, GROUPIE GRUCON-D modules: ENDF, EXTRA, F/-S, NU/-S, R/T-S, S/A-S, S/C-S, S/E-S, S/I-S, S/T-S, S/G-F, U/D-S, PENDF Tools: COMPLOT and COMHARD modules of PREPRO have been used for visualization of calculation results and analysis of disagreements. IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Problem, explanation, solution Problem 1. Averaged cross section in the last group IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Problem 2. Components of potential elastic scattering cross section for missed spin groups. In case of Fe-56 (ENDF/B-VII. 1): one resonance for L=2, J=5/2; no resonances with L=2, J=7/2. GRUCON adds, PREPRO neglects corresponding components. For agreement with PREPRO, temporary correction has been made in GRUCON (for comparison purposes only). IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Problem 3. Interpolation scheme in the unresolved resonance region. According to ENDFB 6 recommendation, interpolation law, pointed in ENDF file, should be used for cross sections. In PREPRO it is used for parameters. For agreement with PREPRO, the GRUCON input data was changed ( for comparison purposes only). IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Plans and Projects Updating and development of the GRUCON-D package will be continued in following directions: 1. Expansion of the R/T-S module processing capability by including multicanal multi-level resonance formulae LMF=7 ( the Reich-Moore-Limited formalism) 2. Expansion of the ACE module processing capability by including not yet implemented energy-angular distribution laws of MF=6. 3. Updating of the KERMA module for energy release calculations. 4. Updating of the A/E-D module for group transition matrices calculations. Works under GRUCON-B (basic) version will be started in the next year. It will include all functional modules (updated and extended) of original GRUCON, used for the ENDF/B-V processing. The work will be done in cooperation with Karlsruhe Technology Institute (Germany) in frame of Memorandum of Understanding (2016 -2020), now is preparing for signing at the end of 2015 year. IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

SUPPLEMENTARY AGREEMENT No. 1 to the Memorandum of Understanding between KARLSRUHE INSTITUTE OF TECHNOLOGY (KIT) Large- Scale Research Sector Kaiserstr. 12, 76131 Karlsruhe Federal Republic of Germany and NATIONAL RESEARCH CENTER "KURCHATOV INSTITUTE" Kurchatov Square 1 123182 Moscow Russian Federation The Parties shall cooperate in the common field of nuclear reactor safety research, in particular on: Methodology for safety assessment of nuclear reactors; Computer codes and techniques for nuclear data processing, including the objective to deliver these codes to IAEA nuclear data section and OECD/NEA nuclear data bank; IAEA NDS Meeting, Vienna, Austria October 5 -9, 2015

Acknowledgments I am very grateful V. Zerkin, D. Lopez Aldama for the assistance and cooperation in GRUCON-D installation and verification, S. Simakov, A. Trkov and R. Capote Noy for fruitful discussions. Thank you for attention