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Final Report For Project TCF-18-15778

This report documents work performed under the Technology Commercialization Fund (TCF-18-15778, Used (spent) nuclear fuel management and analysis tool) award provided by the US Department of Energy (DOE) Office of Technology Transitions (OTT). This report describes various Used Nuclear Fuel-Storage, Transportation & Disposal Analysis Resource and Data System (UNF-ST&DARDS) enhancements to advance the technology readiness level (TRL). The principal work performed under TCF is the integration of the initial dry storage loading optimization algorithm into UNF-ST&DARDS.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Nuclear Software Validation for 7% Enriched UO 2 Fuel Lattices

This analysis performs validation for the Virtual Environment for Reaction Application’s (VERA’s) neutronics codes MPACT and Shift against measured data from the Seven Percent Critical Experiment (7uPCX) at Sandia National Laboratory. The benchmarking supports the future application of VERA for analysis of high-assay low-enriched uranium (HALEU) fuel in commercial pressurized water reactors (PWRs). VERA demonstrates very good agreement with measured data, and the deterministic code MPACT also agrees very well with higher-fidelity stochastic methods KENO-VI and Shift in both total neutron flux and fission rate distribution comparisons. Despite some significant differences between the 7uPCX and existing commercial PWRs that challenge the neutron cross section data and transport solver methods used by MPACT, all of the results are excellent. The agreement increases the confidence in the applicability and accuracy of VERA for reactor analysis of HALEU fuels in commercial reactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE Advanced Gas Reactor Fuel Development and Qualification Program Overview

AGR-3/4 post-irradiation examination and data analysis AGR-5/6/7 PIE and safety testing Supplemental fuel microanalysis and method development Fuel oxidation testing Air/moisture Ingress Experiment (AMIX) system development (deployed in FY23) Single particle testing in FITT Data management and analysis Fuel performance modeling

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Sensitivity analysis applied to SiC failure probability in TRISO modeled with BISON

Here, a sensitivity analysis on the failure probability of the Silicon Carbide (SiC) layer in tristructural isotropic (TRISO) nuclear fuel during transient conditions predicted by the BISON fuel performance code is performed. The principal goal of the analysis is to understand the most important parameters dictating SiC failure behavior in BISON during Reactivity Initiated Accidents (RIAs). SiC brittle fracture probability is modeled using Weibull statistics. A total of seven inputs related to SiC failure has been selected for the analysis, including the Weibull statistics parameters, elastic moduli for SiC and Pyrolitic Carbon (PyC) and SiC stress-free temperature. A 1D TRISO BISON model has been established for various reactivity insertions performed at the Nuclear Safety Research Reactor (NSRR). The principal advantage associated with the 1D TRISO model developed in this work is its computational efficiency. The Sobol variance decomposition method is used, and the sensitivity indices are presented for eight different values of the energy deposition. The results show that the two most important parameters impacting the predicted SiC failure probability are the Weibull modulus and the characteristic stress, and a co-variance amongst these parameters is obtained for low reactivity insertions. An additional new finding of this work is that the relative importance of Weibull parameters depends on the energy deposition, and thus reactivity, regime. For low energy depositions, two parameters are of influence on SiC failure probability, while for high energy depositions only one parameter impacts failure probability results. Moreover, optimization of the Weibull modulus and characteristic stress is performed by minimizing the RMSE between BISON failure probability predictions and experimental failure fractions for each energy deposition. This work also demonstrates the validity of the NSRR tests BISON simulations and of the respective sensitivity analysis results as conservative, yet indicative for slower transients characterized by lower deposited energies. Such verification is achieved through the partial extension of the analysis to a group Control Rod Withdrawal reproduced from a previous study. Another novel result of this analysis is that no single set of Weibull parameters can reproduce all reactivity insertion experimental failure results, which is related to the intrinsic nature of SiC failure properties, and a new range for the parameters is proposed to produce a failure probability envelope that encompasses the experimental fractions. Additionaly, this work proposes a new approach for future failure analysis with BISON, consisting in the use of Weibull parameters ranges, rather than fixed sets, along with failure envelopes generation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Sensitivity and Uncertainty Quantification of Transition Scenario Simulations

This report documents the first collective attempt at developing and applying capabilities to quantify uncertainties, assess parametric sensitivities, and optimize multiple parameters and metrics in fuel cycle simulations generated by the SA&I Campaign. To do this, external codes that were designed to perform sensitivity analysis and uncertainty quantification (SA&UQ) needed to be coupled to the SA&I Campaign’s nuclear fuel cycle simulators (NFCS). In FY20, two approaches were pursued: 1) coupling Cyclus to an ORNL-internal code called MOT (Metaheuristic Optimization Tool) and 2) coupling DYMOND to the opensource SA&UQ tool kit Dakota. The primary objective of having these NFCS/SA&UQ coupled capabilities is to better inform DOE-NE and other stakeholders on the results generated from the NFCS. For a given set of fuel cycle strategies, policies, and technology assumptions that make up a fuel cycle scenario, these NFCS have traditionally been used by the SA&I Campaign to provide quantitative answers in terms of year-by-year mass flows, infrastructure requirements, costs, etc. With these newly developed coupled capabilities, the SA&I Campaign can now efficiently simulate hundreds or thousands of these scenarios, sample large ranges of parameters and assumptions, and use the unique features of the SA&UQ tools to process the data. This enables providing answers with known and propagated uncertainties, determining the sensitivity of important metrics to different parameters and assumptions, quantifying how much fuel cycle and technology parameters impact each other, and producing optimized fuel cycle strategies for single and multiple variables. To demonstrate these new capabilities, the Cyclus/MOT was used to model several scenarios ranging from simple fleet retirements to transitions to advanced reactors. Specifically, for a transition scenario from LWRs to SFRs and advanced LWRs, uncertainty quantification, sensitivity analysis, and optimization studies were applied to cases involving single and multiple parameter (input) and single and multiple metric (output) variations. In addition, a similar transition scenario was modeled to demonstrate how to optimize the reprocessing capacity parameter to minimize two performance metrics while taking into account uncertainties from two other parameters. Lastly, a depletion module based on SCALE/ORIGEN was added in Cyclus to simulate the third scenario that was designed to quantify the impact of the modeling assumption that all LWR used nuclear fuel have the same burnup. The newly developed DYMOND/Dakota capability was also applied to a transition scenario from the existing fleet to small modular reactors and fast reactors. This particular scenario involves not only explicit isotopic depletion via ORIGEN-2, but also includes multirecycling and utilizing the criticality search feature to determine the fresh fuel composition of recycled fuel, a feature unique to the DYMOND NFCS. A large database of simulations were run with 4 main parameters that were sampled: start date of reprocessing, reprocessing capacity, energy demand growth rate, and advanced reactor share of the fleet. The 4 main metrics were uranium consumption, enrichment requirements, waste generation, and levelized cost of electricity using data from the Cost Basis Report. The demonstrated SA&UQ results include those that inform on how to choose parameters to avoid “failed” scenarios, Sobol’ indices that inform on the importance of various parameters individually and synergistically, and Analysis of Variance (ANOVA) studies that decompose parameter ranges into groups and informs on whether variations are statistically significant.

Feng, B.↗

High Spatial Resolution Mapping of Retained Fission Gas

Fission gas isotopic analysis provides quantitative high precision determination of irradiated nuclear fuel burnup, offers diagnostic value, and informs fuel performance models. A measurement capability has been developed at Idaho National Laboratory (INL) for the release of retained fission gas using a focused laser and static noble gas mass spectrometry (MS) analysis. This high resolution (10s microns spot size) capability was demonstrated using Xe implanted metal foils.

07 - ISOTOPES AND RADIATION SOURCES↗

Modeling, Performance Assessment, and Nodal Data Analysis of TRISO-Fueled Systems with Shift

This technical report documents several enhancements to the Shift Monte Carlo (MC) code under the US Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in fiscal year (FY) 2022. Performance enhancements were added to Shift specifically for tristructural isotropic (TRISO)–fueled reactor systems and guided based on performance analysis in FY 2021. For the pebble performance model developed in previous studies, the runtime improved by ~ 91× compared to the original model and ~ 2× compared to the user-optimized model. Compared to Serpent, Shift is ~ 3× slower if Serpent delta-tracking is enabled but ~ 2× faster when delta-tracking is disabled. The multigroup cross section generation was improved through simplifying tally input definitions, porting several post-processing tally operations from Python scripts into the Shift code base, and accounting for production reactions in the scattering multiplicity. Progress was also made on two emerging capabilities: (1) the development of Titan (a Shift reactor physics user interface) and (2) initial investigation into path-length tallies for computing multigroup scattering matrices.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Sensitivity and uncertainty of the IFR-1 BISON benchmark

The fuel performance code BISON is being used to evaluate metallic fuel for a new fast-spectrum test reactor called the Versatile Test Reactor, which is being considered for adoption by the US Department of Energy. To quantify the accuracy of BISON predictions, researchers at Oak Ridge National Laboratory have been developing a series of benchmarks based on legacy metallic fuel experiments. As part of this effort, the sensitivity of BISON predictions to variations in model inputs and the uncertainties associated with BISON predictions must be established. This paper summarizes efforts to perform a comprehensive sensitivity analysis (SA) and uncertainty quantification (UQ) on a benchmark based on the IFR-1 experiment.For the SA, at least one input was chosen from every BISON model and physics module used in the benchmark. The inputs were varied individually in a series of BISON simulations. Here, the resulting variations in benchmark predictions were normalized to calculate sensitivities. These sensitivities were then used to inform input selections for the UQ.The UQ was performed using the Monte Carlo UQ method. A literature review was conducted to estimate uncertainty distributions for the selected inputs, and values were sampled randomly from each distribution in a series of BISON simulations. Variations in the benchmark predictions were used to estimate uncertainty distributions and confidence intervals. It was found that nearly 100% of the benchmark predictions matched the corresponding legacy values within the confidence intervals. However, this is at least partially because the confidence intervals associated with benchmark predictions were wide. The uncertainty contributions of assumptions in the benchmark, experimental uncertainties, and BISON models were quantified. Some analysis was performed to identify inputs that contributed to the uncertainties. Finally, recommendations are made for future benchmark and future BISON development.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Influence of point defect accumulation on in-pile thermal conductivity degradation: Fuel rod defect distribution and deviation between in-pile and post irradiation thermal conductivity

As nuclear fuel burn-up increases, its thermal conductivity degrades due to the accumulation of defects that lead to increased phonon scattering rates. This results in a rise in the centerline temperature of the fuel rod, whereby heat generation must be decreased to avoid undesired behavior such as fuel melting and extensive fission gas release. Fuel performance codes are utilized to optimize the fuel's operational conditions; while they are based on established physical principles, their empirical nature limits their predictive capabilities. Recently, an effort has been made to develop predictive fuel performance codes for commonly used nuclear fuels, as well as accelerated qualification of advanced nuclear fuels. In this report, we elaborate on the importance of careful analysis of point defects’ impact on thermal conductivity in fuel performance analysis. Further, a model is presented where point defect concentration is estimated based on Rate Theory modeling and used as input to the Klemens-Callaway model to calculate their contribution to the degradation of thermal conductivity in UO 2 under prototypical irradiation conditions. This analysis suggests that point defect concentration is significant at the rim of the fuel pellet and neglecting this leads to underestimation of the centerline temperature, which may have consequences on fission gas behavior.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DECOVALEX-2023: An international collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems

The DECOVALEX initiative is an international research collaboration (www.decovalex.org), initiated in 1992, for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems. DECOVALEX stands for “DEvelopment of COupled Models and VALidation against EXperiments”. The creation of this international initiative was motivated by the recognition that prediction of these coupled effects is an essential part of the performance and safety assessment of geologic disposal systems for radioactive waste and spent nuclear fuel. DECOVALEX emphasizes joint analysis and comparative modeling of the complex perturbations and coupled processes in geologic repositories and how these impact long-term performance predictions. The most recent phase of the DECOVALEX Project, here referred to as DECOVALEX-2023, started in early 2020 and ended in late 2023. More than fifty research teams associated with 17 international DECOVALEX partner organizations participated in the comparative evaluation of eight modeling tasks covering a wide range of spatial and temporal scales, geological formations, and coupled processes. This Virtual Special Issue on DECOVALEX-2023 provides an in-depth overview of these collaborative research efforts and how these have advanced the state-of-the-art of understanding and modeling coupled THMC processes. While primarily focused on radioactive waste, much of the work included here has wider application to many geoengineering topics.

Coupled processes↗

Borehole Disposal: Update on the Science, Technology, and Potentially Suitable Radioactive Wastes - 20170

A recent Special Issue of the Energies Journal on Deep Borehole Disposal of Nuclear Waste has delivered a timely update on the science and technology of borehole disposal and the types of radioactive wastes it could potentially accommodate. The Special Issue papers discuss (i) circumstances under which a national waste management programme might wish to consider deep borehole disposal [1], (ii) a status report of deep borehole disposal options in Germany [2], (iii) the use of deep horizontal drill-holes in sedimentary, metamorphic or igneous rocks for disposal of spent nuclear fuel and high-level radioactive waste [3], (iv) the analysis of corrosion performance of engineered barrier systems [4], (v) a review of the potential cementing systems suitable for deep borehole disposal [5], (vi) the thermal evolution around heat-generating waste for a wide range of material properties and disposal configurations [6], (vii) a geochemical analysis of deep brines focussed on fluid-rock interactions [7], (viii) post-closure performance assessment calculations for deep borehole disposal of Cs/Sr capsules [8], and (ix) an example safety case for deep borehole disposal of nuclear wastes [9]. This paper provides an overview of the main findings from these publications and highlights some of the technological and scientific challenges that need to be overcome when developing a deep borehole disposal concept. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Development of a U-19Pu-10Zr fuel performance benchmark case based on the IFR-1 experiment

Metallic nuclear fuels are subject to research and development for use in advanced reactors. Robust, accurate metallic fuel performance models are important for the design, safety analysis, and licensing of these reactors. However, metallic fuel performance models require additional development; they are not as mature as UO 2 fuel performance models. A benchmark case based on the IFR-1 experiment was developed to better gauge the accuracy of existing models, identify models for high-priority development, and potentially quantify any future improvements made by further model development.This work collected publicly available information on the IFR-1 experiment and used it to develop the benchmark case. Fuel behavior during the IFR-1 irradiation was simulated by using the fuel performance code BISON, and the predicted results were compared with postirradiation examination data from the IFR-1 experiment. Furthermore, a sensitivity study and tuning studies were performed as a preliminary investigation into the causes of inaccurate temperature and dimensional change predictions.The benchmark predicted reasonably accurate values for the burnup and fission gas release. There was error in the predicted temperatures, which could be explained by uncertainty in the input parameters and legacy temperatures. BISON over-predicted dimensional changes in the fuel and cladding. The sensitivity study showed that the dimensional changes were most sensitive to the fuel swelling anisotropy and the cladding void swelling model. Future benchmark and model development should focus on cladding swelling behaviors to improve dimensional change predictions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

High Flux Isotope Reactor Low-Enriched Uranium High Density Silicide Fuel Preliminary Design Update: System Transient Analysis

As a part of conversion efforts from highly enriched uranium (HEU) to low-enriched uranium (LEU) fuel under direction of the National Nuclear Security Administration of the U.S. Department of Energy, multiple proposed designs of the High Flux Isotope Reactor (HFIR) have been created and assessed regarding reactor physics performance metrics, including designs utilizing uranium silicide dispersion fuel (U3Si2-Al). This report updates the previous analyses that evaluated the nuclear safety performance of LEU fuel designs with respect to selected accident events from the HFIR Safety Analysis Report (SAR). Both the Low Density (LD) and High Density (HD) Optimized designs’ reactivity initiated accident fuel performance improved relative to the HEU fuel, attributed to greater 238 U negative Doppler feedback. However, the thermal margins for primary coolant system accidents were reduced with some acceptance criteria unable to be met. The need to resolve reduced thermal margin, open modeling items, and unresolved assumptions was identified.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

TRISO fuel performance analysis: Uncertainty quantification toward optimization

Tri-structural isotropic (TRISO) fuel particles are a fuel form being considered for potential use in next-generation nuclear reactors (i.e., high-temperature gas-cooled reactors). Though the TRISO fuel manufacturing process has continually advanced in recent years, particle comparisons still reveal statistical variations and uncertainties in terms of geometric configurations and material properties. Given that the physical processes ongoing in TRISO fuel particles during reactor operation are highly correlated with each other, a small degree of uncertainty in one model may lead to significant uncertainty in another. This makes appropriate uncertainty quantification of TRISO fuel particles essential. However, one may wonder about the extent to which the current version of TRISO particles has been optimized, and whether any room remains for further improvements. This paper quantifies TRISO fuel performance model uncertainties that stem from geometric and material data. For this analysis, the BISON code was used, and the Advanced Gas Reactor (AGR)-2 experiment served as a reference case. A total of 10 5 calculations was performed for the uncertainty and optimization analysis, altering the geometric and material data within their uncertainty range. Lastly, the optimization potential of TRISO particles is evaluated from a fuel performance perspective.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

An Integrated ML/AI Framework for Digitizing, Structuring and Searching DOE U-TRU-Fuels Data with Gap Analysis of Non-DOE Records

The U.S. Department of Energy (DOE) Advanced Fuels Campaign (AFC) is advancing transmutation fuel technologies to reduce long-lived radioactive waste by converting minor actinides into shorter-lived or stable elements through irradiation in sodium-cooled fast reactors. Key experiments such as AFC-1, AFC-2, FUels for the transmutation of Trans-URanium elements In phéniX (FUTURIX)-Fortes Teneurs en Actinides (FTA), and Experimental Breeder Reactor-II (EBR-II) X501 have provided fuel fabrication, irradiation, and performance data on various transuranic-bearing fuel forms. This report documents the creation of an artificial-intelligence assisted database, which has consolidated all DOE-owned data related to Transuranic (TRU)-bearing fuel experiments and stored across it across both the Idaho National Laboratory (INL) Nuclear Data Management and Analysis System and the INL high performance computing (HPC) infrastructure. A dedicated webpage, hosted on the INL HPC system, has been developed to support role-based access and data interaction. The database architecture allows researchers to navigate large, heterogeneous archives with far greater speed and accuracy than manual search and lays the foundation for future expansion into multimodal nuclear materials analysis environments. The database represents a major step towards a nationally integrated fuels database utilizing artificial intelligence tools.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Multiphysics analysis of fuel Fragmentation, Relocation, and dispersal Susceptibility–Part 2: High-Burnup Steady-State operating and fuel performance conditions

The US nuclear industry is pursuing increased cycle lengths and increasing the peak rod-averaged burnup in an effort to increase the economic viability of the US nuclear fleet. Increasing burnup will afford economic viability by enabling utilities to optimize core designs to reduce the number of fresh fuel assemblies per cycle and allow nuclear power plants to operate for a longer period of time. Longer operating periods will also decrease the number of outages experienced by a nuclear power plants and, therefore, offer utilities significant operational savings. However, extending the peak rod-averaged burnup beyond 62 GWd/tU results in operating fuel rods to higher burnup under higher power conditions. This operating regime is expected to result in higher fuel temperatures, fission gas release (FGR), and rod internal pressures (RIPs) that may challenge historical safety basis and affect high-burnup (HBU) experimental testing. In particular, these conditions directly affect fuel fragmentation, relocation, and dispersal (FFRD) susceptibility, so understanding the pretransient operating conditions is critical for developing test plans that evaluate the FFRD and develop strategies to mitigate it. This paper evaluates the operating conditions and fuel performance of HBU (greater than62 GWd/tU rod average) fuel. Additionally, it investigates fuel performance sensitivities and discusses the effect on fuel performance. Here, this work used two codes. Virtual Environment for Reactor Applications (VERA) was used to calculate steady-state power histories, identify HBU operating conditions using 10 different realistic HBU core designs, and down-select rods to a representative subset of fuel rods for subsequent BISON evaluation. The BISON fuel performance code was used to investigate steady-state HBU operating conditions and assess uncertainties associated with FGR and its effect on fuel temperatures and RIPs. The VERA and BISON results will provide direct input for HBU experimental testing and support subsequent TRACE and BISON transient fuel performance analyses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Demonstration of the On-the-Fly Shielding Analysis Method: Spent Fuel and Waste Disposition

This report documents work performed supporting the US Department of Energy (DOE) Office of Nuclear Energy (NE) Spent Fuel and Waste Disposition (SFWD) Integrated Waste Management activities under work breakdown structure element 1.08.02.04.01, “Data and Tools Development, Validation, and Maintenance.” In particular, this report fulfills milestone M3SF-21OR020401016, “Implement on-the-fly dose analysis methodology in UNF-ST&DARDS” within work package SF-21OR02040101, “Commercial SNF Characterization - ORNL.” The Used Nuclear Fuel - Storage, Transportation & Disposal Analysis Resource and Data System (UNFST& DARDS) enables automated dose rate calculations for spent nuclear fuel (SNF) transportation packages and storage casks using a Monte Carlo radiation transport code. The explicit method uses a detailed model of the SNF system and its contents. Therefore, a dose rate calculation is required for each as-loaded transportation package or storage cask because the SNF assemblies within a canister typically have unique irradiation characteristics. An alternate method, referred to as the “on-the-fly” shielding analysis method, has been proposed that requires only a set of Monte Carlo dose rate calculations for each transportation packaging/storage cask design. The results of the Monte Carlo dose rate calculations are independent of the SNF assembly irradiation and decay characteristics. The dose rate values may then be combined with the radiation source strength of the SNF assemblies associated with a particular transportation packaging/storage cask design to determine actual dose rates. This report presents on-the-fly dose rate calculations for a representative SNF storage cask and verification of the on-the-fly dose rate calculation results by comparison with reference dose rate calculations using the explicit Monte Carlo dose rate calculation. The on-the-fly shielding analysis method was implemented in UNF-ST&DARDS. A Python program was developed to process the MAVRIC dose rate results obtained by source particle type, energy group, and fuel geometry region. A Python processor created binary files, which were saved as a special UNF-ST&DARDS library for on-the- fly shielding analyses. UNF-ST&DARDS uses the precalculated on-the-fly binary libraries generated by the Python data processor and directly executes the Python code for on-the-fly dose analysis. This Python code unzips the pre-generated binary files mentioned above, reads the data, and combines them with user-specified sources for dose and uncertainty calculations. The Python programs were verified using Excel calculations and by comparison with the values obtained with the MAVRIC post-processing utilities applied to the 3dmap files. This method can currently be used to determine dose rates for as-loaded HI-STORM FW storage casks. The UNF-ST&DARDS analysis wizard for on-the-fly shielding analysis is described in this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗