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DOE OSTI2022

Evaluation of Mechanistic and Empirical Models against Existing FFRD and LOCA Experimental Databases

The desire of the nuclear industry to improve the economics of existing nuclear power plants has necessitated research into the potential of a phenomenon known as fuel fragmentation, relocation, and dispersal (FFRD). This phenomenon is possible during a loss-of-coolant accident (LOCA) at relatively high burnup. The Nuclear Energy Advanced Modeling and Simulation program has been developing simulation capabilities for FFRD and LOCA in the BISON fuel performance code for multiple years. This year, the effort has been focused on evaluating new lower length scale informed pulverization thresholds as well as updating and adding new empirical models for various phenomena. Models added or updated this year include a preliminary transient fission gas release model, new high-temperature Zircaloy creep models, a Zircaloy rupture opening area model, and a temperature-dependent emissivity during radiation from the fuel rod to the surrounding atmosphere. The models are verified through implementation tests to demonstrate code correctness after addition to BISON. The models are then assessed against a subset of the existing BISON validation suite for LOCA and FFRD cases. Two new cases, Studsvik Rods 192 and 193, have been added. The results indicate that the inclusion of a bubble pressure evolution model in the bubbles in the high-burnup structure has the largest impact compared to the 3D fracture criterion on reducing the calculated amount of pulverized fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2012

Creating NDA working standards through high-fidelity spent fuel modeling

The Next Generation Safeguards Initiative (NGSI) is developing advanced non-destructive assay (NDA) techniques for spent nuclear fuel assemblies to advance the state-of-the-art in safeguards measurements. These measurements aim beyond the capabilities of existing methods to include the evaluation of plutonium and fissile material inventory, independent of operator declarations. Testing and evaluation of advanced NDA performance will require reference assemblies with well-characterized compositions to serve as working standards against which the NDA methods can be benchmarked and for uncertainty quantification. To support the development of standards for the NGSI spent fuel NDA project, high-fidelity modeling of irradiated fuel assemblies is being performed to characterize fuel compositions and radiation emission data. The assembly depletion simulations apply detailed operating history information and core simulation data as it is available to perform high fidelity axial and pin-by-pin fuel characterization for more than 1600 nuclides. The resulting pin-by-pin isotopic inventories are used to optimize the NDA measurements and provide information necessary to unfold and interpret the measurement data, e.g., passive gamma emitters, neutron emitters, neutron absorbers, and fissile content. A key requirement of this study is the analysis of uncertainties associated with the calculated compositions and signatures for the standard assemblies; uncertainties introduced by the calculation methods, nuclear data, and operating information. An integral part of this assessment involves the application of experimental data from destructive radiochemical assay to assess the uncertainty and bias in computed inventories, the impact of parameters such as assembly burnup gradients and burnable poisons, and the influence of neighboring assemblies on periphery rods. This paper will present the results of high fidelity assembly depletion modeling and uncertainty analysis from independent calculations performed using SCALE and MCNP. This work is supported by the Next Generation Safeguards Initiative, Office of Nuclear Safeguards and Security, National Nuclear Security Administration.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2013

Initial Demonstration of Peregrine in VERA-CS

This milestone demonstrates integration of the MOOSE-based Peregrine fuel performance code into the CASL Virtual Environment for Reactor Analysis (VERA). Specifically targeted at VERA’s core simulator functionality (VERA-CS), the existing VERA subchannel-neutronics capability based on COBRA-TF (CTF) and Insilico was extended to use the axisymmetric 2D R-Z fuel rod modeling functionality of PEREGINE to replace the simple fuel rod model in CTF. This three-way coupling involved defining and implementing data interfaces, software infrastructure development to support the requirements of each code, and numerical methods to implement the coupled physics. The result is a new VERA capability known as Tiamat. Development of Tiamat required extensions to the VERA build system to support a “meta build” that uses the MOOSE/libMesh/Peregrine native build system, development of a new driver layer designed to support long-term CASL code integration requirements, and implementation of data transfers for the coupled applications using the DataTransferKit (DTK). Peregrine is now compiled and tested under the VERA continuous integration server. Tiamat, a new advanced simulation tool consisting of three coupled codes - CTF for multiphase subchannel flow, Insilico for neutronics and Peregrine for fuels performance - has been developed. Tiamat was used to simulate a 17x17 assembly model for Watts Bar Unit 1 Cycle 1, which exceeds the goals of this milestone.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2016

Modeling the Pore Formation Mechanism in UMo/AL Dispersion Fuel

In UMo/Al dispersion fuel meat, pores formed in the ILs or at IL-Al interfaces tend to increase in size with irradiation, potentially limiting performance of this fuel. There has been no universally accepted mechanism for the formation and growth of this type of pore. However, there is a consensus that the stress state determined by meat swelling and fission- induced creep is one of the determinants, and fission gas availability at the pore site is another. Five dispersion RERTR miniplates that have well defined irradiation conditions and PIE data were selected for examination. Meat swelling and pore volume were measured in each plate. ABAQUS finite element analysis (FEA) package was utilized to obtain the time-dependent evolution of mechanical states in the plates while matching the measured meat swelling and creep. Interpretation of these results give insights on how to model a failure function – a predictor for large pore formation – using variables such as meat swelling, interaction layer growth, stress, and creep. This model can be used for optimizing fuel design parameters to reach the desired goal: meeting high power and performance reactor demand.

Kim, Yeon Soo↗

DOE OSTI2022

Pellet cladding mechanical interaction as a potential failure mechanism during a control rod drop accident in a boiling water reactor

Boiling water reactors (BWRs) represent approximately one-third of the operating fleet in the United States, contributing significantly towards the global effort in reducing carbon emissions. Even though most of the operating fleet has been in operation for quite some time, continued advancements in new nuclear fuel (such as accident tolerant fuel) or operating regimes (such as power up-rates and higher burnup operation) necessitates similar advancements in modeling and simulation capabilities. Bison, a component of the Virtual Environment for Reactor Applications (VERA), is a high-fidelity fuel performance code able to explore the fuel performance of a wide variety of fuel types in one-, two-, and three-dimensions. Until recently, the code had not been used for analyses of BWRs. Modeling capabilities have been added for Gd-bearing UO{sub 2} and pure zirconium liners. New models have been added based upon the U.S. Nuclear Regulatory Commission (NRC) guide-lines for hydrogen pickup in Zircaloy-2 claddings and pellet-clad mechanical interaction (PCMI) failure during a reactivity insertion accident (RIA), known as a rod drop accident (CRDA) in BWRs. Implementing and/or improving Bison modeling capabilities extended its analytical reach to areas beyond its original intended purpose. This paper demonstrates one of these capabilities as a proof of concept. Recently developed models enable Bison to provide an alternate approach for cladding integrity determination in CRDA evaluations, which currently use bounding conservative estimates. As part of this demonstration, NRC guidance on hydrogen-pickup and PCMI failure models were utilized in this research. Even though more research is needed in establishing right inputs and process in this area, this paper demonstrates Bison's ability to determine cladding integrity in a CRDA evaluation. This first of a kind demonstration is a proof of concept in this area, which could potentially be extended to a number of other areas where a more accurate cladding integrity determination would be needed. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS2012

Advanced Stirling Radioisotope Generator Thermal Power Model in Thermal Desktop SINDA/FLUINT Analyzer

This paper presents a three-dimensional Advanced Stirling Radioisotope Generator (ASRG) thermal power model that was built using the Thermal Desktop SINDA/FLUINT thermal analyzer. The model was correlated with ASRG engineering unit (EU) test data and ASRG flight unit predictions from Lockheed Martin's Ideas TMG thermal model. ASRG performance under (1) ASC hot-end temperatures, (2) ambient temperatures, and (3) years of mission for the general purpose heat source fuel decay was predicted using this model for the flight unit. The results were compared with those reported by Lockheed Martin and showed good agreement. In addition, the model was used to study the performance of the ASRG flight unit for operations on the ground and on the surface of Titan, and the concept of using gold film to reduce thermal loss through insulation was investigated.

Wang, Xiao-Yen↗

DOE OSTI2015

COUPLING OF RELAP5-SCDAP MOD4.0 AND NEUTRONIC CODES

High-fidelity and accurate nuclear system codes play a key role in the design and analysis of complex nuclear power plants, which consist of multiple subsystems, such as the reactor core (and its fuel, burnable poisons, control elements, etc.), the reactor internal structures, the vessel, and the energy conversion subsystem and beyond to grid demand. Most commonly the interplay between these various subsystems is modeled using coupled codes, each of which represents one of the subsystems. And the most common direct coupling is that of thermal-hydraulics and neutronics codes. The subject of this paper is the coupling of codes that model not only thermal-hydraulics and neutronics, but also structural components damage. Furthermore, the neutronic component is not limited to the sole core solver. The coupled code system encompasses thermal-hydraulics, material performance of the fuel, neutronic solver, and neutronic data preparation. Thus, this paper presents a framework for coupling RELAP5/SCDAPSIM/MOD4.0 with a suite of neutron kinetics codes that includes NESTLE, DRAGON and a version of the ENDF library. The version of the RELAP5/SCDAPSIM/MOD4.0 code used in this work is one developed by Innovate System Software (ISS) as part of the international SCDAP Development and Training Program (SDTP) for best-estimate analysis to model reactor transients including severe accident phenomena. This RELAP5/SCDAPSIM/MOD4.0 code version is also capable of predicting nuclear fuel performance. It uses nodal power distributions to calculate mechanical and thermal parameters such as heat-up, oxidation and meltdown of fuel rods and control rods, the ballooning and rupture of fuel rod cladding, the release of fission products from fuel rods, and the disintegration of fuel rods into porous debris and molten material. On the neutronics side, this work uses the NESTLE and DRAGON codes. NESTLE is a multi-dimensional static and kinetic neutronic code developed at North Carolina State University. It solves up to four energy groups neutron diffusion equations utilizing the Nodal Expansion Method (NEM) in Cartesian or hexagonal geometry. The DRAGON code, developed at Ecole Polytechnique de Montreal, performs lattice physics calculations based on the neutron transport equation and is capable of using very fine energy group structures. In this work, we have developed a coupling approach to exchange data among the various modules. In the coupling process, the generated nuclear data (in fine multigroup energy structure) are collapsed down into two- or four-group energy structures for use in NESTLE. The neutron kinetics and thermal-hydraulics modules are coupled at each time step by using the cross-section data. The power distribution results of the neutronic calculations are transmitted to the thermal-hydraulics code. The spatial distribution of coolant density and the fuel-moderator temperature, which result from the thermal-hydraulic calculations, are transmitted back to the neutron kinetics codes and then the loop is closed using new neutronics results. Details of the actual data transfers will be described in the full length paper.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2013

Validation of FSP Reactor Design with Sensitivity Studies of Beryllium-Reflected Critical Assemblies

The baseline design for space nuclear power is a fission surface power (FSP) system: sodium-potassium (NaK) cooled, fast spectrum reactor with highly-enriched-uranium (HEU)-O 2 fuel, stainless steel (SS) cladding, and beryllium reflectors with B4C control drums. Previous studies were performed to evaluate modeling capabilities and quantify uncertainties and biases associated with analysis methods and nuclear data. Comparison of Zero Power Plutonium Reactor (ZPPR)-20 benchmark experiments with the FSP design indicated that further reduction of the total design model uncertainty requires the reduction in uncertainties pertaining to beryllium and uranium cross-section data. Further comparison with three beryllium-reflected HEU-metal benchmark experiments performed at the Oak Ridge Critical Experiments Facility (ORCEF) concluded the requirement that experimental validation data have similar cross section sensitivities to those found in the FSP design. A series of critical experiments was performed at ORCEF in the 1960s to support the Medium Power Reactor Experiment (MPRE) space reactor design. The small, compact critical assembly (SCCA) experiments were graphite- or beryllium-reflected assemblies of SS-clad, HEU-O 2 fuel on a vertical lift machine. All five configurations were evaluated as benchmarks. Two of the five configurations were beryllium reflected, and further evaluated using the sensitivity and uncertainty analysis capabilities of SCALE 6.1. Validation of the example FSP design model was successful in reducing the primary uncertainty constituent, the Be(n,n) reaction, from 0.28 %$\delta$k/k to 0.0004 %$\delta$k/k. Further assessment of additional reactor physics measurements performed on the SCCA experiments may serve to further validate FSP design and operation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2016

Modeling and simulation challenges pursued by the Consortium for Advanced Simulation of Light Water Reactors (CASL)

The Consortium for the Advanced Simulation of Light Water Reactors (CASL), the first Energy Innovation Hub of the Department of Energy, was established in 2010 with the goal of providing modeling and simulation (M&S) capabilities that support and accelerate the improvement of nuclear energy's economic competitiveness and the reduction of spent nuclear fuel volume per unit energy, and all while assuring nuclear safety. To accomplish this requires advances in M&S capabilities in radiation transport, thermal-hydraulics, fuel performance and corrosion chemistry. To focus CASL's R&D, industry challenge problems have been defined, which equate with long standing issues of the nuclear power industry that M&S can assist in addressing. To date CASL has developed a multi-physics “core simulator” based upon pin-resolved radiation transport and subchannel (within fuel assembly) thermal-hydraulics, capitalizing on the capabilities of high performance computing. CASL's fuel performance M&S capability can also be optionally integrated into the core simulator, yielding a coupled multi-physics capability with untapped predictive potential. Material models have been developed to enhance predictive capabilities of fuel clad creep and growth, along with deeper understanding of zirconium alloy clad oxidation and hydrogen pickup. Understanding of corrosion chemistry (e.g., CRUD formation) has evolved at all scales: micro, meso and macro. CFD R&D has focused on improvement in closure models for subcooled boiling and bubbly flow, and the formulation of robust numerical solution algorithms. For multiphysics integration, several iterative acceleration methods have been assessed, illuminating areas where further research is needed. Finally, uncertainty quantification and data assimilation techniques, based upon sampling approaches, have been made more feasible for practicing nuclear engineers via R&D on dimensional reduction and biased sampling. Industry adoption of CASL's evolving M&S capabilities, which is in progress, will assist in addressing long-standing and future operational and safety challenges of the nuclear industry. - Highlights: • Complexity of physics based modeling of light water reactor cores being addressed. • Capability developed to help address problems that have challenged the nuclear power industry. • Simulation capabilities that take advantage of high performance computing developed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

2022 Accomplishments Report Template

Chromium-doped UO 2 fuels is an industrially important Accident Tolerant Fuel (ATF) due to the ability to increase the average grain size relative to standard UO 2 . However, there is a lack of knowledge of the thermophysical properties of these doped fuels, which is necessary for accurately modeling the in-pile performance. The work accomplished this FY focused on developing large grain Cr-doped UO 2 pellets as a function of Cr content and subsequently measuring the thermophysical and mechanical properties. The microstructural variations were also investigated to evaluate chromium formation within the microstructure of the sintered pellets.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2018

An a priori Analysis of Mixture Fraction-Based Modeling of Coal Combustion

Due to the high computational cost associated with using detailed kinetic mechanisms, it is common practice to implement reaction models which rely on relatively small number of variables when simulating turbulent combustion systems. In this study, we perform an a priori assessment of the accuracy of three chemistry models: a Burke-Schumann chemistry model, an equilibrium chemistry model, and a steady laminar flamelet model. All chemistry modeling approaches considered include a mixture fraction for devolatilization products, and a normalized enthalpy deficit as parameters, with scalar dissipation rate as an additional input parameter for the flamelet model. Data used as a basis for the study is generated through One-Dimensional Turbulence (ODT) simulation of a coal combustion system in which high-fidelity models are used for gas phase chemistry and devolatilization. The flamelet model was found to be more accurate than both the equilibrium and Burke-Schumann models over a majority of parameter space. The performance of all models considered declined substantially for sufficiently fuel-rich conditions. Furthermore, the analysis in this work indicate that both differential diffusion and speciation of volatiles have a perceptible negative impact on flamelet reconstructions, though the effect of differential diffusion was more substantial.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Fuel relocation recovery implementation in Bison

During the initial rise to power in light water reactors (LWR), thermal gradients within a pellet cause radial and axial cracks to form in the fuel. The effect of these cracks is to reduce the pellet-cladding gap and accelerate the interaction between the fuel and cladding. This process is known as fuel relocation and may also include contributions from pellet eccentricity and cladding ovality. Since the cladding experiences both elevated temperatures and high external pressure due to the coolant, the cladding typically creeps inward further reducing the pellet-cladding gap. Once the gap is closed and pellet cladding mechanical interaction (PCMI) begins, both the thermal and mechanical behavior of the fuel is affected. The compressive forces exerted on the fuel due to contact with the cladding cause the fractured fuel sections to move back toward their original position which is termed relocation recovery. A model for this phenomenon is implemented in the BISON fuel performance code and applied to a set of validation test cases. In conclusion, the predicted fuel rod diameter is compared to experimental measurements to evaluate the influence of relocation recovery over a range of operating conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2013

Phase-field simulations of intragranular fission gas bubble evolution in UO2 under post-irradiation thermal annealing

Fission gas bubble is one of evolving microstructures, which affect thermal mechanical properties such as thermo-conductivity, gas release, volume swelling, and cracking, in operating nuclear fuels. Therefore, fundamental understanding of gas bubble evolution kinetics is essential to predict the thermodynamic property and performance changes of fuels. In this work, a generic phasefield model was developed to describe the evolution kinetics of intra-granular fission gas bubbles in UO2 fuels under post-irradiation thermal annealing conditions. Free energy functional and model parameters are evaluated from atomistic simulations and experiments. Critical nuclei size of the gas bubble and gas bubble evolution were simulated. A linear relationship between logarithmic bubble number density and logarithmic mean bubble diameter is predicted which is in a good agreement with experimental data.

Intra-granular gas bubbles evolution↗

DOE OSTI2020

Evaluation of Radiolysis Data for Hydrogen Gas Generation During Gamma Irradiation of Pre-Corroded and Pristine Aluminum Samples - An Aluminum SNF Dry Storage Study Interim Report

Information and data from radiolysis testing to measure hydrogen (H₂) generated from hydrated oxides on aluminum exposed to ⁶⁰Co radiation were reviewed to evaluate hydrogen generation with radiation dose. Hydrogen generation rate is a primary input to the coupled thermal-chemical system model of the performance of aluminum-clad spent nuclear fuel in a dry storage canister (ASNF-in-canister) over its storage life. Hydrogen generation data and hydrogen generation rate (hydrogen generated per absorbed radiation dose, $\Delta$(H₂)/$\Delta$(dose)) were reported in two reports for radiolysis testing [1, 2]. The testing involved first-time data¹ for radiolytic yield of hydrogen from hydrated-oxides-on-aluminum substrates, and from pristine (non-corroded) aluminum substrates. The laboratory-grown hydrated-oxides-on-aluminum substrates contained a ~ 5 μm film consisting of the trihydroxide bayerite (Al(OH)₃) with amounts of the oxyhydroxide boehmite (AlOOH). These specimens were assumed to also contain physisorbed water (unquantified). The pristine substrates were flat coupons of aluminum that were ground to a 600-grit finish but were not immersed in water to grow a hydrated oxide. The pristine substrates were tested as companion specimens to provide information on hydrogen generation from material without chemisorbed water and were assumed to contain physisorbed water (unquantified).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1982

Testing of fuel/oxidizer-rich, high-pressure preburners

Results of an evaluation of high pressure combustion of fuel rich and oxidizer rich LOX/RP-1 propellants using 4.0 inch diameter prototype preburner injectors and chambers are presented. Testing covered a pressure range from 8.9 to 17.5 MN/square meters (1292 to 2540 psia). Fuel rich mixture ratios ranged from 0.238 to 0.367; oxidizer rich mixture ratios ranged from 27.2 to 47.5. Performance, gas temperature uniformity, and stability data for two fuel rich and two ozidizer rich preburner injectors are presented for a conventional like-on-like (LOL) design and a platelet design injector. Kinetically limited combustion is shown by the excellent agreement of measured fuel rich gas composition and C performance data with kinetic model predictions. The oxidizer rich test results support previous equilibrium combustion predictions.

Lawver, B. R.↗

NASA NTRS2010

The Concept and Analytical Investigation of CO2 and Steam Co-Electrolysis for Resource Utilization in Space Exploration

CO2 acquisition and utilization technologies will have a vital role in designing sustainable and affordable life support and in situ fuel production architectures for human and robotic exploration of Moon and Mars. For long-term human exploration to be practical, reliable technologies have to be implemented to capture the metabolic CO2 from the cabin air and chemically reduce it to recover oxygen. Technologies that enable the in situ capture and conversion of atmospheric CO2 to fuel are essential for a viable human mission to Mars. This paper describes the concept and mathematical analysis of a closed-loop life support system based on combined electrolysis of CO2 and steam (co-electrolysis). Products of the coelectrolysis process include oxygen and syngas (CO and H2) that are suitable for life support and synthetic fuel production, respectively. The model was developed based on the performance of a co-electrolysis system developed at Idaho National Laboratory (INL). Individual and combined process models of the co-electrolysis and Sabatier, Bosch, Boudouard, and hydrogenation reactions are discussed and their performance analyses in terms of oxygen production and CO2 utilization are presented.

McKellar, Michael G.↗

DOE OSTI2016

Impact of Isotope Fidelity on Fuel Cycle Calculations

The purpose of this study is to examine the importance of the isotopic composition of plutonium on PWR MOX fuel fabrication as part of a multi-tiered fuel cycle, and the effect of its evolution during a transition. Two main effects can modify the isotopic composition of the plutonium used to build the PWR-MOX fuel: decay and depletion. This analysis is based on a transition of the nuclear fuel cycle to a configuration identified as 'Evaluation Group 29' or 'EG29', in the recently-published Evaluation and Screening (E and S) report. The EG29 fuel cycle corresponds to a double strata fleet. The first stratum is composed of sodium-cooled fast reactors (SFRs) multi-recycling plutonium. Surplus plutonium is sent to the second stratum composed of pressurized water reactors with full mixed oxide (U/Pu)O{sub 2} cores (MOX-PWRs). The PWR stratum is also multi-recycling its plutonium. The target energy generation ratio for the final EG29 system is 70:30 (SFR:PWR), with a 1% annual growth in nuclear energy demand. All the calculation of this study have been performed using the Cyclus fuel cycle simulator framework. The facility models are from the Cycamore package, developed by the Cyclus team, and containing a Pu-equivalent fuel fabrication model as well as a simple fixed mixing ratio fuel fabrication model. A new neural network model has also been contributed to the Cyclus environment using the cyCLASS tool, allowing the use of the fuel fabrication and depletion models from the CLASS tool in Cyclus. (authors)

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2022

Nuclide inventory validation: radiochemical assay data quality and modeling challenges in benchmark models development

Oak Ridge National Laboratory is conducting radiochemical assay experiments, using high-precision analytical protocols validated with a comprehensive quality assurance plan, to expand the nuclide inventory validation basis for high burnup spent nuclear fuel. Preliminary measurement data for key actinides and fission products in two pressurized water reactor spent fuel samples are being used to investigate the impact of measurement data uncertainty on the sample burnup estimation. These measurement data are also being used to examine the impact of assumptions applied when developing best-estimate computational models to simulate fuel irradiation history. The simulations are being performed using depletion capabilities in the SCALE code system. Comparison of calculated and measured nuclide concentrations shows good agreement for the considered nuclides. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗