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DOE OSTI2015

Validation of Scale 6.2 criticality calculations using KENO V.A and KENO-VI - 14603

SCALE 6.2 provides enhancements for criticality calculations relative to SCALE 6.1, especially with updated nuclear data libraries, resonance self-shielding options for multigroup (MG) calculations, and problem-dependent temperature treatments for continuous-energy (CE) calculations. Benchmark experiments from the International Criticality Safety Benchmark Evaluation Project that are available in the Oak Ridge National Laboratory Verified, Archived, Library of Inputs and Data (VALID) were applied in this validation effort to examine the impact of the SCALE 6.2 enhancements. Over 300 cases are drawn from the VALID library for testing KENO V.a, and a more limited set of approximately 50 configurations is used for validation of KENO-VI. A total of 401 unique critical experiments are used in this validation effort. In some cases, the KENO V.a models were converted to KENO-VI models so that the performance of both codes could be assessed for the same systems. Validation results for the SCALE 6.2 ENDF/B-VII.1 nuclear data libraries are presented, including MG neutron data in 56- and 252-group structures as well as CE data. The performance of all three multipurpose neutron libraries in calculating k{sub eff} is examined with critical experiment models covering a wide range of fuels, moderators, reflectors, absorbers, and neutron spectra. The SCALE 6.2 ENDF/B-VII.1 coupled neutron-photon library, primarily developed for shielding applications with 200 neutron groups and 47 gamma groups, provides additional energy resolution for fast systems relative to the MG neutron libraries which were developed to produce low biases for thermal neutron systems. The applicability of this library to criticality calculations for fast neutron spectrum systems is not investigated here but will be addressed in the final SCALE 6.2 validation report. The results of these calculations demonstrate that SCALE 6.2 generally provides lower biases than SCALE 6.1 and that the two versions of KENO provide equivalent results on the same suite of problems. SCALE 6.2 also includes an updated neutron cross-section covariance library based on the ENDF/B-VII.1 covariance data. The effect of these updated covariances on the uncertainty in k{sub eff} due to cross section uncertainties is also presented for some cases. A more thorough investigation of the updated covariance data is presented in a companion paper. (authors)

42 ENGINEERING↗

DOE OSTI2014

Monte Carlo capabilities of the SCALE code system

SCALE is a broadly used suite of tools for nuclear systems modeling and simulation that provides comprehensive, verified and validated, user-friendly capabilities for criticality safety, reactor physics, radiation shielding, and sensitivity and uncertainty analysis. For more than 30 years, regulators, licensees, and research institutions around the world have used SCALE for nuclear safety analysis and design. SCALE provides a “plug-and-play” framework that includes three deterministic and three Monte Carlo radiation transport solvers that can be selected based on the desired solution, including hybrid deterministic/Monte Carlo simulations. SCALE includes the latest nuclear data libraries for continuous-energy and multigroup radiation transport as well as activation, depletion, and decay calculations. SCALE’s graphical user interfaces assist with accurate system modeling, visualization, and convenient access to desired results. SCALE 6.2 will provide several new capabilities and significant improvements in many existing features, especially with expanded continuous-energy Monte Carlo capabilities for criticality safety, shielding, depletion, and sensitivity and uncertainty analysis. Finally, an overview of the Monte Carlo capabilities of SCALE is provided here, with emphasis on new features for SCALE 6.2.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

Overview of Scale 6.2

SCALE is an industry-leading suite of tools for nuclear systems modeling and simulation that provides comprehensive, verified and validated, user-friendly capabilities for criticality safety, reactor physics, radiation shielding, and sensitivity and uncertainty analysis. For more than 30 years, regulators, licensees, and research institutions around the world have used SCALE for nuclear safety analysis and design. SCALE provides a plug-and-play framework that includes three deterministic and three Monte Carlo radiation transport solvers that are selected based on the desired solution. SCALE includes the latest nuclear data libraries for continuous-energy and multigroup radiation transport as well as activation, depletion, and decay calculations. SCALE s graphical user interfaces assist with accurate system modeling, visualization, and convenient access to desired results. SCALE 6.2 provides several new capabilities and significant improvements in many existing features, especially with expanded CE Monte Carlo capabilities for criticality safety, shielding, depletion, and sensitivity and uncertainty analysis. A brief overview of SCALE capabilities is provided with emphasis on new features for SCALE 6.2.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1972

The POPOP4 library and codes for preparing secondary gamma-ray production cross sections

The POPOP4 code for converting secondary gamma ray yield data to multigroup secondary gamma ray production cross sections and the POPOP4 library of secondary gamma ray yield data are described. Recent results of the testing of uranium and iron data sets from the POPOP4 library are given. The data sets were tested by comparing calculated secondary gamma ray pulse height spectra measured at the ORNL TSR-II reactor.

Ford, W. E., III↗

DOE OSTI2015

Covariance Applications in Criticality Safety, Light Water Reactor Analysis, and Spent Fuel Characterization

A new covariance data library based on ENDF/B-VII.1 was recently processed for the SCALE nuclear analysis code system. The multigroup covariance data are discussed here, along with testing and application results for critical benchmark experiments. The cross section covariance library, along with covariances for fission product yields and decay data, is used to compute uncertainties in the decay heat produced by a burned reactor fuel assembly.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

ENDF/B-VIII.0 Testing With AMPX and SCALE

As the new ENDF/B-VIII.0 data has continued development from its initial beta release into the final release version, it has subsequently undergone processing and testing at Oak Ridge National Laboratory with AMPX and SCALE. Each of the beta releases has been processed with AMPX to create both multigroup (MG) and continuous-energy (CE) libraries. The MG libraries were all processed using the SCALE 252-group structure. These libraries were then used with the VALID suite for benchmarking the new data library’s performance against the currently distributed ENDF/B-VII.1 (VII.1)-based SCALE libraries. Here, we compare the MG and CE VALID results for the two current ENDF releases, versions VII.1 and the most recent beta release of ENDF/B-VIII.0 as of this writing (VIII.0.β4). Generally, both the MG and CE VALID aggregate results for VIII.0.β4 compare reasonably well with their VII.1-derived counterparts. As can be expected of any new ENDF release, some of the individual cases have substantially different computed neutron multiplicity (k eff ) values between the two releases, although typically the differences are less than 100 percent-milli (pcm). However, changes to the plutonium cross sections have induced much larger changes in the ratio of the computed k eff to the experimental value (C/E) for thermal spectrum plutonium solution critical systems. This paper details the comparative performance of the VII.1 and VIII.0.β4 data for the broad range of test cases covered by the VALID suite. A companion paper at this conference provides details of the baseline validation of SCALE 6.2, including the first release of the VII.1 data.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

ENDF/B-VIII.0 testing with AMPX and SCALE

As the new ENDF/B-VIII.0 data has continued development from its initial beta release into the final release version, it has subsequently undergone processing and testing at Oak Ridge National Laboratory with AMPX and SCALE. Each of the beta releases has been processed with AMPX to create both multigroup (MG) and continuous-energy (CE) libraries. The MG libraries were all processed using the SCALE 252-group structure. These libraries were then used with the VALID suite for benchmarking the new data library's performance against the currently distributed ENDF/B-VII.1 (VII.1)-based SCALE libraries. Here, we compare the MG and CE VALID results for the two current ENDF releases, versions VII.1 and the most recent beta release of ENDF/B-VIII.0 as of this writing (VIII.0.β4). Generally, both the MG and CE VALID aggregate results for VIII.0.β4 compare reasonably well with their VII.1-derived counterparts. As can be expected of any new ENDF release, some of the individual cases have substantially different computed neutron multiplicity (k{sub eff}) values between the two releases, although typically the differences are less than 100 percent-milli (pcm). However, changes to the plutonium cross sections have induced much larger changes in the ratio of the computed k{sub eff} to the experimental value (C/E) for thermal spectrum plutonium solution critical systems. This paper details the comparative performance of the VII.1 and VIII.0.β4 data for the broad range of test cases covered by the VALID suite. A companion paper at this conference provides details of the baseline validation of SCALE 6.2, including the first release of the VII.1 data. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Verification of the ENDF/B-VII.1 Based MC 2 -3 Library Rev.1

The MC 2 -3 code, developed by Argonne National Laboratory under the DOE-NE NEAMS program, is a multigroup cross section generation code for fast reactor applications. Last year, the ENDF/B-VII.0 (E70) MC 2 -3 library, which has been extensively used, verified, and validated over a long period, was intensively reverified and updated to support the commercial grade dedication (CGD) requirement of the TerraPower Natrium project. This year, the ENDF/B-VII.1 (E71) MC 2 -3 library, the preliminary version of which was generated several years ago, was regenerated and rigorously verified to support the Natrium project as well as the completion of verification of the E71 library. The E71 library was verified using the process developed during the verification of the E70 library, including comparisons of cross sections with the NJOY-generated cross sections, comparisons of the resolved resonance cross sections with those using the PEDNF library, and comparison of total cross sections with the sum of partial cross sections. Additional verifications were conducted to ensure that the benchmark problem solutions with the E71 library are reasonable compared to the corresponding Monte Carlo solutions. Furthermore, the E71 gamma library was generated, which includes data for prompt gamma, delayed gamma, and delayed beta as well as neutron and gamma heating. The gamma library was verified at the level of individual isotopes. The EBR-II core solutions from MC 2 -3/ DIF3D and MCNP were compared, demonstrating that those solutions in terms of k-effective and assembly powers were in good agreement.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

ndi

The Nuclear Data Interface (NDI) is an application programming interface (API) that allows access to standard nuclear data parameters while hiding the underlying details of the data libraries and their storage. It allows access to multigroup transport data (neutron and gamma), thermonuclear burn data, dosimetry data, production/depletion chain data, radiochemistry data, and secondary neutron multiplicity data. The name NDI refers to both the code and data formats supported by the code.

Saller, Thomas↗

DOE OSTI2016

NJOY2016

NJOY2016 is used to convert evaluations in the Evaluated Nuclear Data Files (ENDF) format into forms useful for practical applications such as fission and fusion reactor analysis, criticality safety, radiation shielding, nuclear waste management, nuclear medicine procedures, and more. It begins with the generation of pointwise libraries, including reaction and resonance reconstruction, Doppler broadening, radiation heating and damage, thermal scattering data, unresolved resonance data, and gas production. It reviews the production of libraries for the continuous-energy Monte Carlo code MCNP, multigroup neutron, photon, and particle cross sections and matrices, and photon interaction data. Uncertainty information for ENDF data is processed, including the capability for calculating covariances of resonance data, angular distributions, energy distributions, and radioactive nuclide production. NJOY can prepare and process thermal scattering data evaluations into application libraries. It can also plot cross sections, angular distributions and secondary emission spectra.

Kahler III, A. C. (Skip)↗

DOE OSTI2016

NJOY2016

Kahler III, A. C. (Skip)↗

DOE OSTI2018

Criticality Safety Validation of SCALE 6.2.2

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Reduced-order modeling for efficient cross section library development in high-temperature gas reactor pebble-bed depletion analysis

Accurate modeling of running-in and equilibrium conditions in pebble-bed reactors (PBRs) requires precise microscopic multigroup neutron cross sections. In Griffin, deterministic neutronics calculations rely on multivariate interpolation over large cross section libraries, resulting in significant memory usage and performance bottlenecks. This work, together with a companion paper on Griffin integration, explores reduced-order models (ROMs) to replace interpolation with lightweight surrogates. Several ROM techniques are benchmarked, with deep neural networks (DNNs) demonstrating superior memory efficiency, scalability, and predictive accuracy. A total of 295 DNNs were trained to build a comprehensive isotope library, integrated into Griffin through a custom LibTorch interface for depletion analysis. Initial results demonstrate that DNN-based ROMs drastically reduce memory demands while preserving accuracy, enabling finer tabulations and additional state variables without overhead. In conclusion, the framework also supports online cross section generation and real-time DNN updates through transfer learning, improving fidelity by capturing self-shielding and evolving nuclide compositions during burnup.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

MENDF71x. Multigroup Neutron Cross Section Data Tables Based upon ENDF/B-VII.1

A new multi-group neutron cross section library has been released along with the release of NDI version 2.0.20. The library is named MENDF71x and is based upon the evaluations released in ENDF/B-VII.1 which was made publicly available in December 2011. ENDF/B-VII.1 consists of 423 evaluations of which ten are excited states evaluations and 413 are ground state evaluations. MENDF71x was created by processing the 423 evaluations into 618-group, downscatter only NDI data tables. The ENDF/B evaluation files were processed using NJOY version 99.393 with the exception of 35 Cl and 233 U. Those two isotopes had unique properties that required that we process the evaluation using NJOY version 2012. The MENDF71x library was only processed to room temperature, i.e., 293.6 K. In the future, we plan on producing a multi-temperature library based on ENDF/B-VII.1 and compatible with MENDF71x.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

SCALE 6.2.4 Validation: Nuclear Criticality Safety

The computational bias of criticality safety computer codes must be established through the validation of the codes to critical experiments. A large collection of suitable experiments has been vetted by the International Criticality Safety Benchmark Evaluation Project (ICSBEP) and made available in the International Handbook of Evaluated Criticality Safety Benchmark Experiments (ICSBEP Handbook). More than 600 cases from this handbook have been prepared and reviewed within the Verified, Archived Library of Inputs and Data (VALID), which is maintained by the Reactor and Nuclear Systems Division at Oak Ridge National Laboratory. The performance of the KENO V.a and KENO-VI Monte Carlo codes within the SCALE 6.2.4 code system is assessed using the VALID models of benchmark experiments. A range of nuclear cross section libraries based on Evaluated Nuclear Data File (ENDF)/B-VII.1 in both multigroup (MG) and continuous energy (CE) formats is considered. The critical experiments available to validate the KENO V.a code cover 15 broad categories of systems. These systems use a range of fissile materials, including a range of uranium enrichments, various plutonium isotopic vectors, and some mixed uranium/plutonium oxides. The physical forms of the fissile material also vary and are represented as metal, solutions, or arrays of rods or plates in a water moderator. The neutron energy spectra of the systems also vary and cover fast, intermediate, mixed, and thermal spectra. Over 550 of the total cases use the KENO V.a code for the four nuclear data libraries considered in this report.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2014

ITS version 6.4: The Integrated TIGER Series of Monte Carlo Electron/Photon Radiation Transport Codes - Paper 40

ITS (Integrated TIGER Series) is a suite of fully coupled electron/photon Monte Carlo radiation transport codes. The package contains programs to perform 1D, 2D and 3D simulations. The 3D geometry representations include the traditional combinatorial geometry (CG), facet-based models, CAD models for those users who have a license for the ACIS{sup R} CAD libraries, and hybrid models of any combination. There is a multigroup version which permits adjoint analysis. The availability of source code permits the more sophisticated user to tailor the code to specific applications and to extend the capabilities of the codes to more complex applications. ITS is presently available only through a U.S.-government-use license. It is available once again through the Radiation Safety Information Computational Center (RSICC). (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2019

Nuclear Data and Benchmarking Program: Nuclear Data Performance Assessment for Advanced Reactors

Over the last several Evaluated Nuclear Data File (ENDF)/B releases, many updates have been introduced to the nuclear data libraries that can significantly change computational results. These changes can be particularly important for advanced reactor concepts, which are not as thoroughly investigated as those used in light water reactor (LWR) systems. Therefore, a performance assessment of the ENDF/B libraries using the SCALE 6.2.3 code package was conducted under the auspices of the U.S., Department of Energy Office of Nuclear Energy (DOE-NE). The following systems relevant to the advanced reactor community were chosen as subject for investigation in this report: sodium cooled fast reactor systems, graphite moderated high temperature gas-cooled reactors, and several molten salt reactor models. At first, the similarity of the integral performance of the ENDF/B-VII.1 and ENDF/B-VIII.0 nuclear data libraries caused by compensating errors in important differential data was demonstrated. In calculations for a shipping container of high-assay low enriched uranium, the data of individual isotopes were systematically swapped between the two ENDF/B libraries. An eigenvalue difference of up to 450 pcm was found due to the use of 235 U and 238 U from one library and 1 H and 16 O from the other library. This clearly demonstrates a cross-correlation between reaction data sets of different isotopes within a library that should be reported in the evaluations. For sodium-cooled fast reactor (SFR) fuel assemblies, significant eigenvalue (k inf ) differences (200– 450 pcm) were found between calculations using the 2011 ENDF/B-VII.1 data and 2018 ENDF/B-VIII.0 data. These differences were mainly caused by updates of 238 U and 239 Pu neutron cross sections. Results from the multigroup (MG) calculations further revealed that the group structure of the applied MG library strongly influences the MG bias due to the importance of an appropriate energy resolution of the resonances in higher energy ranges. The application of previously used MG libraries requires new verification for advanced reactor simulation in comparisons with reference continuous-energy calculations. Nuclear data uncertainty analyses of these SFR systems resulted in eigenvalue uncertainties between 1,400 and 1,800 pcm, which are three to four times higher than corresponding uncertainties in light water reactor (LWR) systems. The main contributor to this uncertainty was found to be inelastic scattering on 238 U, which shows an uncertainty of up to 50% in the fast energy range. Other important contributors are the scattering reactions of 56 Fe and 23 Na which have so far not appeared in LWR analysis. Since the largest contribution to the eigenvalue uncertainty of SFR systems is coming from scattering reactions, it is expected that uncertainties in the angular scattering distributions also have a significant impact. Those uncertainties are, however, not available for the majority of nuclides, and the capabilities to determine sensitivities to this data are currently underdeveloped. For two graphite moderated high temperature gas-cooled reactor (HTGR) benchmarks, only the ENDF/BVII. 1 calculations resulted in consistent eigenvalues (k eff ) with the corresponding experimental measurements. Eigenvalue differences of about 1,000 pcm were found between the 2006 ENDF/B-VII.0 data and the 2011 ENDF/B-VII.1 data, primarily due to an updated carbon capture cross section in the thermal energy range in the later ENDF/B release. The ENDF/B-VIII.0 eigenvalue was larger than the ENDF/B-VII.1 eigenvalue by about 300 pcm mainly due to updates in multiple 235 U neutron cross sections, with offsetting updates in the 238 U cross sections. With ENDF/B-VIII.0, graphite can be modeled as perfect crystal or with two different porosities. The choice of the graphite evaluation can have a significant influence of the eigenvalue. For a HTGR benchmark, maximum eigenvalue differences as high as 650 pcm due to different porosities were observed. More detailed studies of the impact of the porosity are necessary while considering that the graphite porosity can vary between the used materials and changes as a function of neutron fluence. xii The uncertainty of the HTGR eigenvalues due to nuclear data uncertainties was found between 500 and 600 pcm, with the top contributor being the neutron multiplicity of 235 U. A gap in the form of missing uncertainties in graphite thermal scattering data, that might have significant impact on HTGR reactors, was identified. This gap is being investigated by the DOE-NE Nuclear Data and Benchmarking Program, as documented in a separate report The fast spectrum molten salt reactor calculations revealed similar comparisons as for the SFR assemblies. The eigenvalue uncertainties were significantly influenced by inelastic scattering on 238 U, while the impact of angular scattering distributions is unknown. For the graphite and zirconium hydride moderated system, eigenvalue uncertainties of up to 700 pcm were observed, requiring in depth analyses of the cross sections and corresponding uncertainties of the included materials. In general, it was observed that the flux spectra of the various molten salt reactor systems show significant differences, even between a fresh state and a depleted state. The choice of the energy group structure of MG calculations is therefore highly relevant; the applicability of previously used MG libraries needs to be verified. Due the unavailability of pin power measurements of advanced reactor systems, pin power calculations with both ENDF/B-VII.1 and VIII.0 data were performed for a light water reactor and compared to corresponding measurements. Both calculations show good agreement with the measurements. A comparison between the ENDF/B-VII.1 and VIII.0 results revealed small differences, mostly in the range of about 0.2%.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2016

SCALE Code System

The SCALE Code System is a widely-used modeling and simulation suite for nuclear safety analysis and design that is developed, maintained, tested, and managed by the Reactor and Nuclear Systems Division (RNSD) of Oak Ridge National Laboratory (ORNL). SCALE provides a comprehensive, verified and validated, user-friendly tool set for criticality safety, reactor and lattice physics, radiation shielding, spent fuel and radioactive source term characterization, and sensitivity and uncertainty analysis. Since 1980, regulators, licensees, and research institutions around the world have used SCALE for safety analysis and design. SCALE provides an integrated framework with dozens of computational modules including three deterministic and three Monte Carlo radiation transport solvers that are selected based on the desired solution strategy. SCALE includes current nuclear data libraries and problem-dependent processing tools for continuous-energy (CE) and multigroup (MG) neutronics and coupled neutron-gamma calculations, as well as activation, depletion, and decay calculations. SCALE includes unique capabilities for automated variance reduction for shielding calculations, as well as sensitivity and uncertainty analysis. SCALE’s graphical user interfaces assist with accurate system modeling, visualization of nuclear data, and convenient access to desired results.SCALE 6.2 provides many new capabilities and significant improvements of existing features.New capabilities include:• ENDF/B-VII.1 nuclear data libraries CE and MG with enhanced group structures,• Neutron covariance data based on ENDF/B-VII.1 and supplemented with ORNL data,• Covariance data for fission product yields and decay constants,• Stochastic uncertainty and correlation quantification for any SCALE sequence with Sampler,• Parallel calculations with KENO,• Problem-dependent temperature corrections for CE calculations,• CE shielding and criticality accident alarm system analysis with MAVRIC,• CE depletion with TRITON (T5-DEPL/T6-DEPL),• CE sensitivity/uncertainty analysis with TSUNAMI-3D,• Simplified and efficient LWR lattice physics with Polaris,• Large scale detailed spent fuel characterization with ORIGAMI and ORIGAMI Automator,• Advanced fission source convergence acceleration capabilities with Sourcerer,• Nuclear data library generation with AMPX, and• Integrated user interface with Fulcrum.Enhanced capabilities include:• Accurate and efficient CE Monte Carlo methods for eigenvalue and fixed source calculations,• Improved MG resonance self-shielding methodologies and data,• Resonance self-shielding with modernized and efficient XSProc integrated into most sequences,• Accelerated calculations with TRITON/NEWT (generally 4x faster than SCALE 6.1),• Spent fuel characterization with 1470 new reactor-specific libraries for ORIGEN,• Modernization of ORIGEN (Chebyshev Rational Approximation Method [CRAM] solver, API for high-performance depletion, new keyword input format)• Extension of the maximum mixture number to values well beyond the previous limit of 2147 to ~2 billion,• Nuclear data formats enabling the use of more than 999 energy groups,• Updated standard composition library to provide more accurate use of natural abundances, andvi• Numerous other enhancements for improved usability and stability.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗