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Inverse Sensitivity/Uncertainty Methods Development for Nuclear Fuel Cycle Applications

The Standardized Computer Analyses for Licensing Evaluation (SCALE) software package developed at the Oak Ridge National Laboratory includes codes that propagate uncertainties available in the nuclear data libraries to compute uncertainties in nuclear application performance parameters (responses). We report on our recently commenced eorts to extend this capability to develop an inverse sen- sitivity/uncertainty (IS/U) methodology that identies the improvements in nuclear data that are needed to compute application responses within prescribed tolerances, while minimizing the cost of such data improvements. We report on our progress to date and present a simple test case for our method. Our methodology is directly applicable to thermal and intermediate neutron energy systems because it addresses the implicit neutron resonance self-shielding eects that are essential to accurate modeling of thermal and intermediate systems. This methodology is likely to increase the eciency of nuclear data eorts.

Arbanas, Goran↗

Evaluation of PBR Spent Fuel Criticality and Dose Rate Compliance for Storage and Transportation

Spent tri-structural isotropic (TRISO)–based fuels have a strong track record in storage and transportation without documented incidents. This work seeks to reduce uncertainty to aid in more informed spent fuel management of TRISO-based fuels by modeling both fresh and spent pebble bed reactor (PBR) fuel and comparing the results to the regulatory standards from 10 CFR 71. SCALE was used for all modeling due to it having fast and accurate methods for handling PBR fuel modeling, as well as having an efficient method for shielding calculations in monaco with automated variance reduction using importance calculations (MAVRIC), which utilizes the consistent adjoint-driven importance sampling (CADIS) and the forward-weighted consistent adjoint-driven importance sampling (FW-CADIS) methods. KENO-VI was used for all criticality calculations, TSUNAMI was used for uncertainty quantification on k-effective, TRITON and the Oak Ridge isotope generation code (ORIGEN) were both used for depletion of the fuel, and MAVRIC was used for shielding calculations. For criticality assessments, this study focused on the requirement that the value of the neutron multiplication factor, k-effective (k-eff), would not exceed a peak value of 0.95, including uncertainty, with 95% confidence. Criticality was initially examined by modeling fresh fuel from three different designs—HTR-10 fuel, PBMR-400 fuel, and demonstration fuel representative of a TRISO-fueled modern high-temperature gas reactor (HTGR) design, henceforth referred to as Demo HTGR—and placing them into various sized containers with conditions described in 10 CFR 71 to quantify the peak k-eff state. When the peak value of 0.95 k-eff was exceeded, mitigation methods were examined in those scenarios. Burnup credit, pebble displacement in areas of strong neutron multiplication, and random pebble replacement using pebbles of various compositions and replacement fractions were examined. In summary, the criticality of PBR fuels can be well accounted for by restricting container size, taking credit for burnup, or by displacing/replacing pebbles. Uncertainty of the k-eff due to nuclear data uncertainties was recorded at ~0.6644%Δk/k, or roughly 664% mil (pcm). The nuclear data–induced uncertainty was relatively small and should not require significant modification in the design to be accounted for. Revisions to the evaluated nuclear data file values have been shown to have a larger impact than nuclear data–induced uncertainty. For dose rate aspects, U.S. Nuclear Regulatory Commission regulations require a maximum dose rate of 10 millirem per hour (mrem/h) at 2 meters. In examining the dose rate behavior of spent PBR fuel, the representative Demo HTGR fuel was modeled exclusively due to it possessing the highest target burnup of the examined fuels. Equilibrium cycle modeling methods were used to produce a higher-fidelity discharge isotopic composition than simple assumptions, such as reflected pebbles. The discharge composition was used as a source term in the fixed-source transport shielding calculations, and dose rates were calculated at 2 m for the shortest possible cooling time. The low concentration of fuel material led to dose rates that were in line with regulatory limits, despite the high burnup when compared to traditional light water reactor fuels. In conclusion, the methods employed in this study would require more work to further verify and validate and are limited to the criticality and dose rate analyses performed.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Subcritical Copper-Reflected-α-phase Plutonium (SCRαP) Integral Experiment Design

A Subcritical Copper-Reflected α-phase Plutonium (SCRαP) integral benchmark experiment is proposed where multiplication will be approximated using correlated neutron data from a detector system consisting of {sup 3}He tubes inside polyethylene. Measurements will be performed on various subcritical experimental configurations consisting of a weapons-grade plutonium sphere surrounded by different Cu thicknesses. In addition to the proposed base experimental configurations with Cu, additional configurations are planned with the plutonium ball nested in various thicknesses of interleaved polyethylene spherical shells mixed in with the Cu shells. The polyethylene is intended to provide fast neutron moderation and reflection, resulting in additional measurements with differing multiplication, spectra, and nuclear data sensitivity. The proposed experiments will performed at the National Criticality Experiments Research Center (NCERC). NCERC is home to a 4.5-kg α-phase stainless steel clad plutonium sphere that is referred to as the BeRP (Beryllium-Reflected Plutonium) ball due to its historical use in a beryllium-reflected critical experiment. In 2014, similar subcritical measurements were performed with the BeRP ball surrounded by nickel and tungsten. The nickel-reflected measurements were documented as a benchmark evaluation which was accepted by the International Criticality Safety Benchmark Evaluation Project (ICSBEP). Similar to past measurements, the proposed work will help both identify deficiencies and quantify uncertainties in nuclear data and validate computational methods related to neutron multiplication inference for subcritical benchmark evaluations. Monte Carlo simulations were performed for the preliminary design of a subcritical Copper-Reflected - phase Plutonium (SCRP) integral benchmark experiment. Specifically, MCNP{sup R} version 6 was used to determine the k{sub eff} and associated nuclear data sensitivities for different preliminary configurations (reflector thickness, material type). The final experimental design process will include continuous-energy nuclear data sensitivity analysis. This will help assess the potential impact of this integral measurement as it relates to international efforts to continuously improve current libraries (ENDF, JEFF, JENDL etc) that still tend to over/under-estimate the measured results of integral experiments, sometimes significantly. Deficiencies in underlying nuclear data quantities such as Nubar have been shown to have an effect on inferred values from subcritical measurements as well. The proposed experiments and subsequent computational validation will help identify such deficiencies. It will also help validate new nuclear data evaluations, including one for Cu that was recently performed in the resolved region up to 100 MeV for {sup 65}Cu and {sup 63}Cu which is expected to improve Cu-related benchmark simulation performance. The final experimental design phase will also include simulation results that will incorporate the detectors that will be used for the subcritical measurements. For the benchmark portion of the measurements, the main detectors that are being considered are portable neutron multiplicity counters made up of {sup 3}He tubes embedded in polyethylene and lined with cadmium. These detectors employ a data acquisition system that produces list-mode data (correlated information where each event is listed sequentially) that can be analyzed using the Feynman variance-to-mean method. Other detector systems including SNAP (single {sup 3}He tube embedded in polyethylene), and a high-purity germanium (HPGe) detector are being considered for supplementary measurements only and are not intended to be used for the final benchmark measurements. Decoupling the supplementary detectors from the system eliminates any contribution to the total system multiplication, and greatly simplifies the final computational benchmark model. Therefore, an optimization of the portable neutron multiplicity counter placement in the benchmark measurements will be performed to ensure that there is minimal contribution to the total system multiplication. In addition, new temperature measurement techniques and hardware will be explored. (authors)

42 ENGINEERING↗

In search of truth: In memory of Balraj Singh

Born in Punjab (India) in December 1941, Balraj Singh is not only the single most prolific nuclear data evaluator and disseminator of nuclear structure and decay data with 148 evaluations in Nuclear Data Sheets — 85 as the first and often only author — plus other journals, but his upmost curiosity and dedication brought him to be one of the finest nuclear physicists, with an everlasting influence on many of us. Furthermore, Balraj passed away about a year ago on 9 October 2023 in Ottawa, Ontario (Canada) at the age of 81, and at Atomic Data and Nuclear Data Tables we would like to commemorate some of his scientific achievements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Introduction to an MCGIDI Mini-App and Performance Comparisons with XSBench

In high-performance Monte Carlo (MC) radiation transport codes, cross section lookups often account for the majority of computational expens. In response to this observation, a number of nuclear data mini-apps have been developed to profile and optimize the lookup process. A review of these mini-apps can be found in Ref. In contrast to a fully fledged MC code, nuclear data mini-apps do not feature particle tracking; instead, the cross section lookup process is considered in isolation, a simplification that allows for easier implementation and evaluation of various lookup schemes and techniques. GIDI+, as described on its public repository1, is ...a collection of C++ libraries for accessing evaluated and processed nuclear data stored in the Generalized Nuclear Database Structure (GNDS). In addition to reading GNDS files, GIDI+ has functions to sum and collapse multi-group data as needed by deterministic transport codes, and to sample GNDS data as needed by Monte Carlo transport codes. Certain modes of Mercury, a LLNL-developed MC radiation transport code, utilize GIDI+ for cross section lookups. Specifically, Mercury uses the MCGIDI library contained within GIDI+ to perform lookups on GPUs. A mini-app exercising MCGIDI’s cross section lookup capabilities would prove useful for optimization, which in turn could improve the performance of client codes such as Mercury. Such a mini-app could also be used to assess the performance of MCGIDI compared to other nuclear data mini-apps. In this document, we introduce a nuclear data mini-app built with the MCGIDI library. The MCGIDI mini-app (MCGIDI-MA) was developed to closely resemble the methodology present in XSBench, a nuclear data mini-app developed at Argonne National Laboratory. The remainder of this section provides an overview on XSBench. Section 2 describes MCGIDI-MA and its usage. Section 3 contains performance results of MCGIDI-MA on LLNL’s Lassen and Quartz compute platforms, as well as comparisons to XSBench performance where appropriate. In Section 4, we present a summary of our findings.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Nuclear Sciences References (NSR)

Nuclear Science literature database, containing about 250,000 articles covering more than 120 years of nuclear science research. Approximately 80 journals are routinely scanned for relevant articles; it also includes PhD thesis and private communications. Each article in NSR is assigned a distinctive 8-character primary key, known as ‘key number’, and a set of keywords that briefly describe the article's content. These keywords follow strict rules since they are used in web search forms. Typically, an article is incorporated in NSR within a few weeks after its web publication. About 4,000 articles are added per year. All the compilation effort is supported by the US Nuclear Data Program and coordinated by the National Nuclear Data Center at Brookhaven National Laboratory, which is also responsible for its web dissemination.

Basic Nuclear Research, Applied Nuclear Technologi↗

Development and application of marginal likelihood optimization for integral parameter adjustment

When adjusting nuclear data with integral experiments, care must be taken that spurious adjustments are not made by assimilating poorly characterized integral parameters. If there are unaccounted for biases or poorly estimated uncertainties in the calculated and experimental values for an integral parameter, the Bayesian data assimilation may adjust the nuclear data in a manner that does not reflect the physics of the integral parameter. To identify and lessen the impact of these inconsistent integral parameters, in this study we present a Marginal Likelihood Optimization algorithm. In a data-driven way, the marginalized likelihood is used to modulate hyperparameter terms that decrease the influence of inconsistent integral parameters on the adjustment. The advantage of this approach over other methods in the literature is that it incorporates correlation information and does not remove an integral parameter from the adjustment. Herein, we present and motivate the algorithm, and apply it to an integral data assimilation case study.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Assessment of Evaluations for 239 Pu Photonuclear Cross Sections

We have performed an initial assessment of available data libraries for photonuclear reactions on 239 Pu. Specifically, we considered the following five evaluated data libraries: the ENDF/B-VIII.0 and the recently deployed ENDF/B.VIII.1 Evaluated Nuclear Data Files, the International Atomic Energy Agency (IAEA) Photonuclear Data Library 2019 (IAEA-2019), the Japanese evaluated nuclear data library version 5 (JENDL-5), and the 2023 version of the TALYS Evaluated Nuclear Data Library (TENDL-2023). Each of these libraries were translated form ENDF to GNDS format using FUDGE. For each of the Pu isotopes, we provide a comparison with available experimental data in the EXFOR experimental nuclear reaction database, as well as a rapid quantitative assessment of the quality of the evaluation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

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↗

Summary Report of the Workshop on Compilation of Experimental Nuclear Reaction Data

This report summarizes the IAEA Workshop on Compilation of Experimental Nuclear Reaction Data held at the IAEA Headquarters in Vienna, Austria from 13 to 16 December 2022. The meeting was attended by 23 participants representing 12 cooperative Centres from seven Member States (China, Hungary, Japan, Korea, Russia, Ukraine and USA) and two International Organisations (NEA, IAEA) as well as a participant from Mongolia and Spain. A summary of the workshop is given in this report along with the conclusions and actions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

TRIPOLI-4 neutronics calculations for IAEA-CRP benchmark of CEFR start-up tests using new libraries JEFF-3.3 and ENDF/B-VIII

Sodium-cooled Fast Reactors (SFR) are one of the promising Generation IV fast reactors. The China Experimental Fast Reactor (CEFR) is a 65 MWth pool-type SFR with a high neutron leakage core using high enriched uranium oxide fuel. The CEFR start-up tests in 2010 consist of series of neutronics experiments. Essential experimental data are available from the 2018 IAEA-CEFR-CRP benchmark document and useful for the validation of neutron transport codes and nuclear data libraries. The TRIPOLI-4 Monte Carlo transport code is a general-purpose neutronics code using continuous-energy nuclear data libraries. It has a rich validation database covering different computational and experimental benchmark data sets to assure the accuracy and credibility of numerical studies. Previous TRIPOLI-4 SFR core physics calculations used mainly MOX fuels. SFR control rod worth studies with TRIPOLI-4 were mainly on big-size cores. To test the modeling capability of TRIPOLI-4 on fuel loading patterns and on variable control rods positions for SFRs and to check recent nuclear data libraries, it is interesting to investigate the CEFR start-up tests in this work, including core states from subcritical to supercritical, control rods and rod group worth, point kinetics parameters, and radial foil activation measurements. TRIPOLI-4 calculation results using new data libraries JEFF-3.3, ENDF/B-VIII, and those of ENDF/B-VII.1 for different CEFR core states are reported here. By means of different options of TRIPOLI-4, control-rod SAs reactivity worth, point kinetics parameters, and radial {sup 237}Np(n,f) fission rate distribution were successfully evaluated. Both ENDF/B-VIII and JEFF-3.3 nuclear data libraries provided reliable results with a difference of 170 +/- 11 pcm in k{sub eff}.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Performing Bayesian Analyses With AZURE2 Using BRICK: An Application to the 7 Be System

Phenomenological R-matrix has been a standard framework for the evaluation of resolved resonance cross section data in nuclear physics for many years. It is a powerful method for comparing different types of experimental nuclear data and combining the results of many different experimental measurements in order to gain a better estimation of the true underlying cross sections. Yet a practical challenge has always been the estimation of the uncertainty on both the cross sections at the energies of interest and the fit parameters, which can take the form of standard level parameters. Frequentist (χ 2 -based) estimation has been the norm. In this work, a Markov Chain Monte Carlo sampler, emcee, has been implemented for the R-matrix code AZURE2, creating the Bayesian R-matrix Inference Code Kit (BRICK). Bayesian uncertainty estimation has then been carried out for a simultaneous R-matrix fit of the 3 He (α,γ) 7 Be and 3 He (α,α) 3 He reactions in order to gain further insight into the fitting of capture and scattering data. Both data sets constrain the values of the bound state α-particle asymptotic normalization coefficients in 7 Be. The analysis highlights the need for low-energy scattering data with well-documented uncertainty information and shows how misleading results can be obtained in its absence.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

ADNDT's enduring distinct role in the scientific publishing ecosystem

September 2024 marks an important anniversary for Atomic Data and Nuclear Data Tables – the 55th year since the inaugural edition in September 1969 – and prompts noting the enduring distinct service the journal has delivered, and continues to deliver, to the scientific community.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

IER-297 CED-2: Final Design for Thermal/Epithermal eXperiments with Jemima Plates with Polyethylene and Hafnium

This report presents the final design (CED-2) for IER-297, and focuses on 15 critical configurations using highly enriched uranium (HEU) Jemima plates moderated by polyethylene with and without hafnium diluent. The goal of the U.S. Nuclear Criticality Safety Program’s Thermal/Epithermal eXperiments (TEX) is to design and conduct new critical experiments to address high priority nuclear data needs from the nuclear criticality safety and nuclear data communities, with special emphasis on intermediate energy (0.625 eV – 100 keV) assemblies that can be easily modified to include various high priority diluent materials. The TEX (IER 184) CED-1 Report [1], completed in 2012, demonstrated the feasibility of meeting the TEX goals with two existing NCSP fissile assets, plutonium Zero Power Physics Reactor (ZPPR) plates and highly enriched uranium (HEU) Jemima plates. The first set of TEX experiments will focus on using the plutonium ZPPR plates with polyethylene moderator and tantalum diluents.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Cerberus and the Zeus Suite of Critical Experiment Benchmarks [Slides]

This presentation finds that as it was designed, Cerberus is extremely sensitive to copper nuclear data. Just changing copper nuclear data to another library can swing simulated keff by >1000 pcm. ENDF/B-VIII.1 and JENDL-5.0 both show large downward trends in keff as copper interstitial thickness is increased

ENDF/B-VIII.1↗

Final design for thermal epithermal experiments (TEX) with ZPPR plutonium/aluminium plates with polyethylene and tantalum - 13592

Lawrence Livermore National Laboratory has completed the final design for the first phase of the Thermal Epithermal experiments (TEX), which focused on critical configurations composed of plutonium/aluminum Zero Power Physics Reactor (ZPPR) plates moderated by polyethylene with and without a tantalum diluent. {sup 239}Pu and {sup 240}Pu were identified as being the number one and two nuclear data need by the nuclear criticality safety and nuclear data communities, with special emphasis placed on performance issues of the Pu cross sections in the intermediate energy region. Preliminary TEX design recommended tantalum as the first diluent to pursue for final design, as it represented a high priority data need, showed the highest sensitivity and largest contribution to uncertainty with the Pu ZPPR system, and a large number of high quality Ta plates from the ZPPR inventory in Idaho was readily available. The goals of the new critical experiments are 1) to create assemblies that span a wide range of fission energy spectra, from thermal (below 0.625 eV), through the intermediate (0.65 eV to 100 keV), and to fast energies (above 100 keV), and 2) to easily modify the assemblies to include high priority materials like tantalum. A total of ten critical configurations were designed as part of CED-2. Five TEX experiments (Experiments 1-5) were designed to establish baseline configurations with the Pu ZPPR plates covering the thermal, intermediate, and fast fission energy regimes. For all five experiments, the ZPPR plates will be arranged in layers of 24 plates (6 plates by 4 plates), resulting in approximately a 12 inch by 12 inch footprint. Multiple layers will be stacked together with varying thicknesses of interspersed polyethylene placed between the layers to fine tune the neutron spectrum of the assembly. The other five experiments (Experiments 6-10) will be similar to the five baseline experiments, except that a tantalum layer will be placed next to each plutonium plate layer, thus diluting the stack and allowing for tests of the neutron cross section for tantalum. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

FIER: Software for analytical modeling of delayed gamma-ray spectra

We report a new software package, the Fission Induced Electromagnetic Response (FIER) code, has been developed to analytically predict delayed γ-ray spectra following fission. FIER uses evaluated nuclear data and solutions to the Bateman equations to calculate the time-dependent populations of fission products and their decay daughters resulting from irradiation of a fissionable isotope. These populations are then used in the calculation of γ-ray emission rates to obtain the corresponding delayed γ-ray spectra. FIER output was compared to experimental data obtained by irradiation of a 235 U sample in the Godiva critical assembly. This investigation illuminated discrepancies in the input nuclear data libraries, showcasing the usefulness of FIER as a tool to address nuclear data deficiencies through comparison with experimental data. Finally, FIER provides traceability between γ-ray emissions and their contributing nuclear species, decay chains, and parent fission fragments, yielding a new capability for the nuclear science community.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Differential and Integral Data Evaluation for Titanium: An Application to Criticality Safety

The intent of this work is to highlight the role of differential and integral data evaluation to address issues in connection with criticality safety applications. Demonstration is made by using, as an example, differential data measurements and evaluation, and the benchmark integral experiments for titanium. Energy differential data are measured analyzed and evaluated to produce nuclear data libraries for criticality safety applications. Alternatively, integral experiments are performed at critical facilities, small experimental reactors, and play an important part in the validation of the differential nuclear data. The demonstration provided here for titanium gives its importance to criticality safety. Titanium is an effective neutron absorber that serves as baseline material for chemical separation in high-activity waste solutions in US. Titanium has not been considered for use in nuclear applications such as reactor design and analysis. Rather, it appears as a structural material that may be present in fuel cycle facilities or canisters for transport and disposition of nuclear waste. Criticality safety evaluations of systems in which titanium is present require an understanding of the nuclear data and its uncertainty.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗