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A review of fuel performance modelling

Nuclear fuel performance codes or models exist for many fuel types and are used for a variety of purposes ranging from design optimization, experiment planning and interpretation to safety analysis. In the current review, we focus on the most relevant simulation tools for the nuclear industry and disregard those that were developed only for very specific applications. As a result, we consider only codes for LWR fuel, since they represent the dominant form for civil energy production.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fuel Performance Modeling Status Update and Potential Model Improvements

Fuel performance modeling status update and potential model improvements overview of TRISO fuel performance modeling codes PARFUME/BISON, AGR experiment support, potential modeling improvements, BISON smeared cracking model, BISON fission product source term, and AGR-3/4 reirradiation heating test.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

TRISO Fuel Performance Modeling

Overview of TRISO fuel performance modeling TRISO fuel performance code PARFUME TRISO fuel performance modeling with BISON PARFUME and BISON comparison

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Uncertainty Quantification and Sensitivity Analysis Applications to Fuel Performance Modeling

Best-estimate fuel performance codes such as BISON currently under development at the Idaho National Laboratory, utilize empirical and mechanistic lower-length-scale informed correlations to predict fuel behavior under normal operating and accident reactor conditions. Traditionally, best-estimate results are presented using the correlations with no quantification of the uncertainty in the output metrics of interest. However, there are associated uncertainties in the input parameters and correlations used to determine the behavior of the fuel and cladding under irradiation. Therefore, it is important to perform uncertainty quantification and include confidence bounds on the output metrics that take into account the uncertainties in the inputs. In addition, sensitivity analyses can be performed to determine which input parameters have the greatest influence on the outputs. In this paper we couple the BISON fuel performance code to the DAKOTA uncertainty analysis software to analyze a representative fuel performance problem. The case studied in this paper is based upon rod 1 from the IFA-432 integral experiment performed at the Halden Reactor in Norway. The rodlet is representative of a BWR fuel rod. The input parameters uncertainties are broken into three separate categories including boundary condition uncertainties (e.g., power, coolant flow rate), manufacturing uncertainties (e.g., pellet diameter, cladding thickness), and model uncertainties (e.g., fuel thermal conductivity, fuel swelling). Utilizing DAKOTA, a variety of statistical analysis techniques are applied to quantify the uncertainty and sensitivity of the output metrics of interest. Specifically, we demonstrate the use of sampling methods, polynomial chaos expansions, surrogate models, and variance-based decomposition. The output metrics investigated in this study are the fuel centerline temperature, cladding surface temperature, fission gas released, and fuel rod diameter. The results highlight the importance of quantifying the uncertainty and sensitivity in fuel performance modeling predictions and the need for additional research into improving the material models that are currently available.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Initial demonstration of automated fuel performance modeling with 1977 EBR-II metallic fuel pins using BISON code with FIPD and IMIS databases

Using the BISON fuel performance code, simulations were conducted using an automated process to read initial and operating conditions from the Fuels Irradiation and Physics Database (FIPD) and Integral Fast Reactor materials information system (IMIS) database, which contains metallic fuel data from the Experimental Breeder Reactor-II (EBR-II). This work demonstrates use of an integrated framework to access the vast majority of EBR-II experimental fuel pin data to support rapid development of fuel performance models for next-generation metallic fuel systems. With this capability, validation for fuel qualification can be performed rapidly. Between IMIS and FIPD, there is enough information to conduct 1977 unique EBR-II metallic fuel pin histories from 24 different experiments, at varying levels of detail between the two databases. Each of these histories includes a high-resolution power history, flux history, coolant channel flow rates, and coolant channel temperatures. Fission gas release (FGR), cumulative damage fraction (CDF), fuel axial swelling, cladding profilometry, and burnup were all simulated in BISON. The results were compared to post-irradiation examination (PIE) results for the initial demonstration of automated BISON modeling. BISON simulations conducted with IMIS and FIPD were in rough agreement with PIE measurements and calculations. Cladding profilometry, FGR, and fuel axial swelling were found to be in rough agreement with PIE measurements, depending on the physics used within the BISON input files. Here, the mechanical contact solver chosen was found to significantly impact axial fuel swelling and cladding strain predictions. CDF values were assessed to see whether pin failure may have been predicted (CDF ≥ 1). This work suggests that continued development of an automated tool for BISON should focus on inclusion of the Fast Flux Test Facility (FFTF) experimental data for a larger database for metallic fuel, improved physical models to better capture fuel performance, such as fuel-cladding interactions, and a more detailed comparison with available PIE data to further the BISON model development.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Meso-Scale Fuel Performance Modeling using the MARMOT Code

The in-pile behavior of light-water-reactor (LWR) fuels is governed by the physics from various time and spatial scales. Accordingly, multi-scale modeling and simulation are needed to accurately predict the fuel performance at the engineering scale. To improve the traditional fuel performance modeling, the Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program targets at developing multi-scale, multiphysics modeling tools for in-pile fuel behavior prediction under various operating or accident scenarios. In traditional fuel performance modeling, the history of fuel is represented by a single parameter, fuel burn-up. Burn-up measures the energy that has been extracted from fuels. However, it is not an adequate measure of fuel history as it ignores the flux effect, which is critical for the irradiation-induced microstructural evolution in fuels. Moreover, the traditional fuel performance models are usually fitted to experimental data. Their capabilities of being extrapolated to new operating conditions and being extended to new types of fuels are strongly limited by the empirical or semi-empirical nature. To improve the burn-up based models, a microstructure based fuel approach, the MOOSE-BISON-MARMOT (MBM) tool-kit, is being developed under the fuel product line (FPL) of the NEAMS program for predictive fuel performance modeling. In the MBM approach, the evolution of fuel microstructure and changes in fuel properties are described by the MARMOT code. The transient fuel properties obtained from MARMOT are then fed into the BISON code for engineering scale fuel performance modeling. Both BISON and MARMOT are developed within the MOOSE framework, which was developed at Idaho National Laboratory. In this summary, the development and the capabilities of the MARMOT code will be introduced. In the past few years, several materials models have been developed including: (1) a grain growth model that describes the grain size evolution as a function of time, temperature and fuel porosity, considering the effects of impurity and porosity dragging and anisotropic grain boundary energy, (2) a fission gas release model that describes the fission gas diffusion in grain interior, fission gas bubble formation in grain interior and at grain boundaries, and fission gas release to the fuel-cladding gap, (3) a fracture model that describes the fracture initiation and propagation in grain interior and along grain boundaries, and (4) a thermal conductivity model that describes the change in thermal conductivity due to grain growth, gas bubble formation, fracture and radiation damage. Several other models are also being developed in MARMOT for hydride formation in Zr-based cladding, radiation damage and grain size subdivision. In most cases, these materials models are coupled with each other. For instance, to accurate predict the transient thermal conductivity, information on grain size, fission gas density, porosity and fracture is required. Further development is on going to improve all these models. These models are developed primarily for UO{sub 2} fuels used in LWRs. They can be extended to other fuels with possibly new development. All models in MARMOT will be rigorously verified and validated before being applied for fuel performance modeling. A version of MARMOT was recently released in September 2015 with an assessment report. (authors)

36 MATERIALS SCIENCE↗

Validation of MFUEL Metal Fuel Performance Models of SAS4A/SASSYS-1

The fuel characterization models of SAS4A/SASSYS-1 (SAS) have recently been extended to include a new U-Pu-Zr metal fuel model, MFUEL. MFUEL is equipped with mechanistic physics based models to predict the pre-transient characterization and transient response of metal fuel, with emphasis on fuel melting, cladding failure, and the metal fuel’s impact on core reactivity. The MFUEL model will be available in the full version of SAS4A/SASSYS-1 5.7, which is scheduled to be released in June 2023. Fast reactor fuel pins that operated in EBR-II and FFTF with low smear density U-Zr and U-Pu-Zr metal fuels and irradiation resistant ferritic-martensitic cladding showed significant advantages in achieving high burnups and assuring inherent safety characteristics during anticipated transients, design basis events, and beyond design basis events. For safety analysis, a fuel performance model must be able to predict (1) Fuel pin mechanics and compositional and dimensional changes, (2) Clad failure, and (3) Fuel pin thermal resistance. Achieving these high level goals accurately is strongly related to the model performance of individual physical processes taking place within a fuel pin during its lifetime. Metal fuels typically operate above the mid-point temperature of melting during normal, as well as off-normal, conditions. At these elevated temperatures, the availability of thermal activation provides a driving force for various diffusional processes leading to complex phase transformations, micro-structure evolution, significant amounts of fuel swelling, interconnected porosity formation, excessive amounts of fission gas release, and fuel clad chemical interactions. Clad failure in fast reactors primarily occurs as a result of creep rupture augmented by clad wastage formation. The reaction is driven by thermal creep induced dislocation motion, grain boundary cavity nucleation, growth and breakup of grain boundaries. The high level complexity and limited available data requires introducing physics-based modeling approaches to gain extrapolation ability and sensitivity with respect to various conditions. The objective of this report is to perform validation of MFUEL using the experimental data for (1) Normal operation EBR-II fuel behavior, (2) Normal operation PHENIX fuel behavior, (3) HT9 Pressure tube ramp-and-hold creep rupture tests, (4) Whole Pin Furnace (WPF) creep strain, creep rupture and eutectic tests, (5) Fuel Behavior Test Apparatus (FBTA) eutectic tests, and (6) TREAT M5-7 OverPower tests up to clad failure. Section-2 includes a brief description of the MFUEL models. A detailed description of the MFUEL physics-based, semi-empirical models will be presented in the SAS V 5.7 theory manual. Section-3, 4, and 5 describes the validation effort for the pre-transient irradiation, furnace transients, and TREAT M-Series transients, respectively.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

TRISO Fuel Performance Modeling with PARFUME

Outline Introduction Overview of TRISO Fuel Performance Modeling TRISO fuel performance code PARFUME PARFUME application to support the AGR program Current Status and Future Work

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Evaluation of BISON metallic fuel performance modeling against experimental measurements within FIPD and IMIS databases

Simulations were conducted using the BISON fuel performance code on an automated process to read initial and operating conditions from two databases—the Fuels Irradiation and Physics Database (FIPD) and Integral Fast Reactor Materials Information System (IMIS) database. These databases contain metallic fuel data from the Experimental Breeder Reactor-II (EBR-II) and the Fast Flux Test Facility (FFTF). The work demonstrates use of an integrated framework to access EBR-II fuel pin data for evaluating fuel performance models contained within BISON to predict fuel performance of next-generation metallic fuel systems. Between IMIS and FIPD, there is enough information to conduct 1,977 unique EBR-II metallic fuel pin histories from 29 different experiments, and 338 pins from FFTF MFF-3 and MFF-5 with varying levels of details between the two databases. Each of these fuel performance histories includes a high-resolution power history, flux history, coolant channel flow rates, and coolant channel temperatures, and new model developments in BISON since the initial demonstration of this integrated framework. Fission gas release (FGR), cumulative damage fraction, fuel axial swelling, FCCI wastage thickness, cladding profilometry, and burnup were all simulated in BISON and compared to post-irradiation examination (PIE) results to evaluate BISON fuel performance modeling. Implementation of new fuel performance models into a generic BISON input file coupled with IMIS and FIPD yielded results with a better representation of physics than the initial evaluation of the integrated framework. Cladding profilometry, FGR, and fuel axial swelling were found to be in good agreement with PIE measurements for most of the pins simulated. The chosen mechanical contact solver was found to significantly impact the axial fuel swelling and cladding strain predictions when used in conjunction with the U-Pu-Zr hot-pressing model since it bound the fuel to prevent further swelling and increased hydrostatic stresses. This work suggests that fuel performance modeling in BISON under steady-state conditions represents the PIE data well and should be reassessed when new PIE data become available in IMIS and FIPD databases and when improved physical models to better capture fuel performance are added to BISON.

Paaren, Kyle M.↗

Uncertainty quantification and sensitivity analysis applications to fuel performance modeling

Best-estimate fuel performance codes such as BISON currently under development at the Idaho National Laboratory, utilize empirical and mechanistic lower-length-scale informed correlations to predict fuel behavior under normal operating and accident reactor conditions. Traditionally, best-estimate results are presented using the correlations with no quantification of the uncertainty in the output metrics of interest. However, there are associated uncertainties in the input parameters and correlations used to determine the behavior of the fuel and cladding under irradiation. Therefore, it is important to perform uncertainty quantification and include confidence bounds on the output metrics that take into account the uncertainties in the inputs. In addition, sensitivity analyses can be performed to determine which input parameters have the greatest influence on the outputs. In this paper we couple the BISON fuel performance code to the DAKOTA uncertainty analysis software to analyze a representative fuel performance problem. The case studied in this paper is based upon rod 1 from the IFA-432 integral experiment performed at the Halden Reactor in Norway. The rodlet is representative of a BWR fuel rod. The input parameters uncertainties are broken into three separate categories including boundary condition uncertainties (e.g., power, coolant flow rate), manufacturing uncertainties (e.g., pellet diameter, cladding thickness), and model uncertainties (e.g., fuel thermal conductivity, fuel swelling). Utilizing DAKOTA, a variety of statistical analysis techniques are applied to quantify the uncertainty and sensitivity of the output metrics of interest. Specifically, we demonstrate the use of sampling methods, polynomial chaos expansions, surrogate models, and variance-based decomposition. The output metrics investigated in this study are the fuel centerline temperature, cladding surface temperature, fission gas released, and fuel rod diameter. The results highlighted the importance of the thermal conductivity of the fuel, the thermal conductivity of the cladding, the gap thickness, the fuel thermal expansion, and the system power factor as influential parameters.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Bison Fuel Performance Modeling on RIA in a PWR

This report is prepared to fulfill a Level 2 milestone for CASL on “deliver and document RIA fuel performance modeling using Bison fuel performance code.” The work performed is focused on modeling the full length commercial fuel rod response under a design basis Reactivity Initiated Accident (RIA), in particular, a hypothetical Control Rod Ejection Accident (CREA) in a Pressurized Water Reactor (PWR). Fuel rods with different burnups, 0 (fresh fuel), 20, 40, and 60 GWd/tU have been modeled with a reactivity worth insertion of $1.24 at Hot Zero Power (HZP) condition. Bison failure modeling method, and a brief summary of validations on selected RIA cases from CABRI and NSRR testing facilities are also described. The work performed has demonstrated the successful application of Bison code in the modeling of thermal and mechanical responses in RIAs for PWRs. In particular, Bison code has a more mature capability in the modeling of the frictional contact between pellet and cladding of the high burnup fuels, which is critical for modeling the Pellet Clad Mechanical Interaction (PCMI). The modeling of RIA using Bison code shows fuels in PWR environment could have different responses than in the simulated RIA tests, and results indicate that a transition from PCMI to Departure from Nucleate Boiling (DNB) could happen at relatively lower enthalpies: a better heat transfer from the fuel to coolant could increase cladding temperature and ductility, but at the same time also reduces the margin to DNB, which could cause high temperature oxidation and ballooning type of failures. The precise determination of the transition into DNB may rely on a more accurate input of the power histories in the simulated RIAs from VERA, the core simulator of CASL. The limiting conditions in PWRs could be quite different than those tests with non-typical testing conditions, and the improvement of the modeling of thermal responses, such as, clad coolant heat transfer, gap heat transfer, clad thermal inertia, and radial power profiles could be important considerations of the RIAs. In modeling the fuel responses in a fast transient, a number of variables could affect the initial burnup states, and some material models, e.g., fuel mechanical models, fission gas release, and corrosion models, and parameters can affect modeling results as well. Those uncertainties and advanced modeling capabilities need to be investigated in the future study of RIAs.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Phase-field simulations to inform nuclear fuel performance modeling

Software tools to simulate nuclear fuel performance at the engineering scale, such as Idaho National Laboratory (INL)’s BISON code, are increasingly relied upon in regulatory and economic decision-making. However, accurate results from these tools depends on the availability of materials parameters that are used as input. In recent years, atomistic and mesoscale simulation methods have emerged as a cost-effective, expedient means to obtain such input parameters. Phase-field simulations using INL’s Marmot application have been used to obtain microstructure-level parameters and to improve material models for fuel performance modeling using BISON. In this talk, recent examples of this process are given, including applications in UO2, U3Si2, and UZr fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Microstructural-Level Fuel Performance Modeling of U-Mo Monolithic Fuel

As the physics that governs the microstructural evolution of nuclear fuel span various time and spatial scales, to fully understand the fuel behavior inevitably involves atomic to mesoscale resolution that can be difficult to determine experimentally. Microstructural-level modeling and simulations can be used to develop physics-based materials models that can provide physical understanding to inform fabrication process control, as well as a valuable feedback mechanism between post-irradiation examination (PIE) results and fabrication parameters. In accordance with the program schedule, the primary goals of the microstructure modeling effort are to: 1. Address critical microstructural questions and provide practical guidance to the fabricator via the fuel product specification; 2. Provide mechanistic inputs for the existing fuel performance code to improve its descriptive and predictive capability at the macroscopic scale. In fiscal year (FY)-21, the work scope consisted of six main facets: (1) the effect of carbides on fuel performance; (2) gas diffusivity in different phases; (3) integration of microstructural fuel performance modeling; (4) property degradation; (5) irradiation creep; and (6) historical analysis of microstructure data. Brief summaries of each are included below.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fuel Performance Modeling Plan to Support the Advance Gas Reactor Program

This report documents the current status of the fuel performance modeling initiative to support the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program in the development of tristructural-isotropic-coated fuel particles. It includes a brief summary of the codes that have been developed to support tristructural isotropic modeling along with a summary of the behavior of fuel particles during irradiation and the modeling used to capture these effects. In addition, this report identifies further modeling and material property needs for further development based on experience from previously performed AGR experiments. In general, the remaining activities to support fuel performance modeling for the AGR program include continued AGR experiment support for AGR-3/4 and AGR-5/6/7 as well as modeling improvements identified throughout the course of the program. These modeling improvements can be summarized as thermomechanical particle behavior and fission product transport. Additional modeling needs may be identified while processing the data collected during the AGR post-irradiation examination campaign and may lead to further improvements that are not included in this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Atomistic Simulations in Support of UO{sub 2} Fuel Performance Modeling

Large fission gas atoms such as Xe have very low solubility in the UO{sub 2} fuel matrix, which drives precipitation and growth of intra-granular fission gas bubbles, segregation of gas atoms to grain boundaries and evolution of intergranular bubbles. The inter-granular bubbles develop percolation networks leading to release of the fission gas. Fission gas bubbles induce fuel swelling and the fuel thermal conductivity is reduced by both fission gas bubbles and dispersed gas atoms. When fission gas is released from the fuel to the plenum, the pressure on the clad walls increases and the gap thermal conductivity decreases. All of these detrimentally affect fuel performance. The thermal conductivity of UO{sub 2} is low across a wide temperature range compared to iso-structural materials such as ThO{sub 2}, which is caused by the coupling between phonons carrying heat and uranium spins or magnetism providing a scattering mechanism with very low mean free path. For in-pile conditions the thermal conductivity is further reduced due to, for example, radiation damage, generation of fission products and fission gases and fuel microstructure evolution. This results in a complex burn-up dependent thermal conductivity. Thermal conductivity and fission gas evolution are two of the most important properties determining UO{sub 2} nuclear fuel performance. Both properties have significant uncertainty. In order to reduce this uncertainty, new models are being developed based on multi-scale simulations that attempt to improve the description of material properties and also couple them to the microstructure state of the material. In this paper we highlight atomistic calculations and simulations used to develop meso-scale models of the evolution of fission gases and thermal conductivity in UO{sub 2}. Literature examples of the application of these results and the corresponding models to fuel performance simulations will also be given. (author)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fuel Performance Modeling Plan to Support the Advance Gas Reactor Program

This report documents the current status of the fuel performance modeling initiative to support the Advanced Gas Reactor (AGR) program in the development of tristructural isotropic (TRISO) coated fuel particles. A brief summary of the modeling codes that have been developed to support TRISO modeling is included along with a summary of the behavior of fuel particles during irradiation and the modeling used to capture these effects. In addition, this report identifies further modeling and material property needs that have been identified for further development based on experience from previously performed AGR experiments. In general, the remaining activities to support fuel performance modeling for the AGR program include continued AGR experiment support for AGR-3/4 and AGR-5/6/7 as well as modeling improvements identified throughout the course of the program. These modeling improvements can be summarized as the following: Fission product transport Thermomechanical particle behavior Additional modeling needs may be identified during the processing the data collected during the AGR post-irradiation examination (PIE) campaign and may lead to further modeling improvements that are not included in this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Atomic scale simulations for improved CRUD and fuel performance modeling

A more mechanistic description of fuel performance codes can be achieved by deriving models and parameters from atomistic scale simulations rather than fitting models empirically to experimental data. The same argument applies to modeling deposition of corrosion products on fuel rods (CRUD). Here are some results from publications in 2016 carried out using the CASL allocation at LANL.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Calibration and Validation of NRC Fuel Performance Models

Pacific Northwest National Laboratory maintains steady-state and transient fuel performance codes for the U.S Nuclear Regulatory Commission (NRC). The NRC uses these codes in performing confirmatory calculations of licensee fuel performance codes and safety analysis methods during the review and approval of these codes and methods. The NRC also uses these codes to perform calculations to direct regulatory research and to assist in the development of new regulations and regulatory guides. Because of the safety-related uses for these codes, it is critically important that the codes are capable of accurately modeling modern fuel and operations and that the models and code predictions are well validated using data collected from conditions relevant to in-reactor conditions. FRAPCON and FRAPTRAN have an extensive database of separate effects data used to validate individual material property and fuel performance models and an integral effects database used to assess the overall code prediction within the full range of fuel operations. The key code predictions that are of regulatory interest as they relate to various specified acceptable design limits are; fuel and cladding temperature, rod internal pressure, cladding hoop strain, cladding corrosion and hydriding, and fission gas release. To assess the ability of the code to accurately predict these values, the integral assessment database consists of measurements of fuel centerline temperature, fission gas release, void volume, cladding corrosion, and cladding hoop strain. This paper will discuss the activities that are performed to ensure that FRAPCON and FRAPTRAN represent the state of the industry and will describe the separate effect and integral effect databases that are used to validate the models and are continually being expanded to ensure validation over the full range of fuel operations.

Geelhood, Kenneth J.↗