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Structure and Process of Managing the UO2 Dry In-Pile Fracture Test Irradiation Experiment

The management and structure of a novel research and development (R&D) project can be hard to navigate. This is especially true when it involves nuclear fuel. Familiarity with institutional safety and procedural requirements, a well defined scope, and accurate cost estimates can all help ensure successful project management from start to finish. The Dry In-Pile Fracture Test (DRIFT) experiments performed at the Transient Test Reactor Facility are an excellent example of managing an R&D project within its scope and budget constraints. The objective of the DRIFT test was to develop fracture propagation data in a manner consistent with light-water reactors to validate and improve the fracture propagation models of uranium oxide fuels in the MOOSE (Multiphysics Object-Oriented Simulation Environment)-BISON-Marmot code framework [1].

99 GENERAL AND MISCELLANEOUS↗

Impact of anisotropy on TRISO fuel performance

Manufacturing of tristructural isotropic (TRISO) particles involves the deposition of pyrolytic carbon (PyC) and silicon carbide (SiC) layers using the fluidized bed chemical vapor deposition (CVD) process. The CVD process is known to generate polycrystalline layers with crystallographic textures, which imparts anisotropic thermophysical properties to the layers. Past studies have shown the risk for particle failure increases with an increase in anisotropy. The limit beyond which the anisotropy of PyC layers becomes unacceptable due to failure risk has been identified as a high-priority knowledge gap. This work presents a first systematic study on the effects of anisotropic thermal and mechanical properties on TRISO fuel performance. This computational study, performed using the fuel performance code BISON, investigates how the anisotropy in elasticity and thermal properties affect the stresses, temperature, and failure of a TRISO particle. The influence of other factors, such as operating temperature and particle geometry on the anisotropy effects, also has been analyzed. The studies utilize the recently published anisotropic elasticity and thermal behavior models for TRISO PyC and SiC layers implemented using tensors with full anisotropic capability. The spherical TRISO particles with anisotropic properties were found to have greater maximum tensile stress and significantly higher failure probability than the spherical particles with isotropic properties. In conclusion, the fuel performance predicted using these recently developed models was found to be comparable with the performance obtained using the historical models.

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Nuclear Fuels & Materials Spotlight Volume 5

As the nation's nuclear energy laboratory, Idaho National Laboratory brings together talented people and specialized nuclear research capability to accomplish our mission. This edition of the Nuclear Fuels and Materials Division Spotlight provides an overview of some of our recent accomplishments in research and capability development. These accomplishments include: • Evaluation and modeling of light water reactor accident tolerant fuel concepts • Status and results of recent TRISO-coated particle fuel irradiations, post-irradiation examinations, high-temperature safety testing to demonstrate the accident performance of this fuel system, and advanced microscopy to improve the understanding of fission product transport in this fuel system. • Improvements in and applications of meso and engineering scale modeling of light water reactor fuel behavior under a range of operating conditions and postulated accidents (e.g., power ramping, loss of coolant accident, and reactivity initiated accidents) using the MARMOT and BISON codes. • Novel measurements of the properties of nuclear (actinide) materials under extreme conditions, (e.g. high pressure, low/high temperatures, high magnetic field) to improve the scientific understanding of these materials. • Modeling reactor pressure vessel behavior using the GRIZZLY code. • New methods using sound to sense temperature inside a reactor core. • Improved experimental capabilities to study the response of fusion reactor materials to a tritium plasma. Throughout Spotlight, you'll find examples of productive partnerships with academia, industry, and government agencies that deliver high-impact outcomes. The work conducted at Idaho National Laboratory helps spur innovation in nuclear energy applications that drive economic growth and energy security. We appreciate your interest in our work here at Idaho National Laboratory, and hope that you find this issue informative.

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Multiscale, mechanistic modeling of irradiation-enhanced silver diffusion in TRISO particles

Tristructural isotropic (TRISO) particles are under consideration for use in several proposed advanced nuclear reactor concepts. The silicon carbide (SiC) layer in TRISO acts as a barrier to prevent the release of the fission products. However, despite remarkable retention, silver (Ag) release has been observed from intact particles, which requires investigation since the Ag isotope ( 110m Ag) has a long half-life. Previous work focused on developing a multiscale, mechanistic model for Ag diffusion accounting for temperature and microstructure effect and has been successfully validated. In this work, we expand the previous model to account for irradiation-enhanced Ag diffusivity in SiC and improve its accuracy over a wider grain size and temperature ranges relevant for advanced reactor conditions. A temperature, grain size, and flux dependent diffusivity is therefore derived using the mesoscale code MARMOT and implemented in the fuel performance code BISON. The irradiation-enhanced Ag diffusivity in SiC is compared against experimental data and validated using BISON against Ag release measurements from the Advanced Gas Reactor Fuel Development and Qualification Program (AGR-1 and AGR-2). Herein, we quantify the impact of SiC grain size, irradiation, and temperature on Ag release. In agreement with previous studies, we find accounting for SiC grain size improves agreement between BISON predictions and experimental observations for most cases. In conclusion, we also find that accounting for irradiation improves agreement for cases where Ag release was underestimated, but the impact was less significant than accounting for microstructure.

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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.

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Status of Modifications to the AGR-3/4 Fission Product Transport Model

A one-dimensional (1D) finite-element model of the AGR 3/4 experiment fission product distributions based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework has been revised and implemented within BISON, with improvements which allow for detailed temperature histories to be used for analyses. Empirically determined concentration profiles and ring inventories from the AGR-3/4 experiment have been compiled for comparison purposes. Ongoing efforts to build fission product diffusion models which can describe the applicable physics for isotopic concentration profiles in each AGR-3/4 capsule are discussed, as well as the suitability of each isotopic concentration profile in each capsule for obtaining transport parameters.

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Verification of Bison fission product species conservation under TRISO reactor conditions

When assessing the reliability and predictive capabilities of a simulation tool, code verification is used to ensure that the implemented numerical algorithm is a faithful representation of its underlying mathematical model, including partial differential or integral equations, initial and boundary conditions, and auxiliary relationships. During this process, numerical results in a discrete solution are compared to the analytical solution of the mathematical model. Here, in this paper, the code verification process is applied to one-dimensional spatiotemporal problems that exercise partial differential equation governing the conservation of fission product species (or mass diffusion). Numerical experiments were performed in the Bison fuel performance code to evaluate its predictive capability under various TRISO reactor conditions such as base irradiation and safety heating test conditions for either short- or long-lived fission product species, as well as a case concerning evaporation from the outer surface of a particle. The code predictions were compared with the expected exact results obtained from the analytical expressions, and the fact that they demonstrate the correct analytical behavior provides strong evidence of proper numerical algorithm implementation.

07 ISOTOPE AND RADIATION SOURCES↗

Mortar-based Cohesive Zone Model with Application to TRISO Particle Debonding

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel cycle systems. This program has been providing engineering-scale support for the development of BISON, a high-fidelity and high-resolution fuel performance tool. This report outlines work towards the development of an integrated, mortar-based cohesive zone framework with mechanical contact. We model debonding of tri-structural isotropic (TRISO) layers using a mortar approach, extending the framework used for mechanical contact, using weighted quantities. A bilinear mixed mode traction approach, already used in Jiang et al. (2021), is applied analogously herein to model debonding between TRISO particle layers. The examples include the debonding of the inner pyrolytic carbon (IPyC) from the silicon carbide (SiC) layers, as well as partial and full debonding of the buffer from the IPyC layers. Both 2D and 3D examples are utilized to demonstrate the superior numerical performance of the new mortar approach, which allows for modeling arbitrarily meshed interfaces (i.e., non-matching discretizations).

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FIPD: The SFR metallic fuels irradiation & physics database

The DOE Advanced Reactor Technology (ART) program has supported efforts to recover and preserve metallic fuel data generated throughout the US sodium-cooled fast reactor (SFR) program. Those efforts have been focused on establishing databases of the experimental data that were mainly generated during the Integral Fast Reactor (IFR) program including data generated at Experimental Breeder Reactor-II (EBR-II), Fast Flux Test Facility (FFTF), and Transient Reactor Test Facility (TREAT) reactors, as well as out of pile data. The data is essential for future licensing activities of metallic fuel based advanced fast reactors. This paper describes the development of the SFR Metallic Fuels Irradiation & Physics Database (FIPD) and covers the scientific knowledge available in the database. Furthermore, the architecture of the FIPD is described by showing the available reactor operation data, fabrication, and post-irradiation examination (PIE) data, and other documents. The applications of the fuel database are also discussed.

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Standalone BISON Through VERA: User's Manual

Activities to incorporate fuel performance capabilities into the Virtual Environment for Reactor Applications (VERA) are receiving increasing attention. The multiphysics emphasis is expanding as the neutronics (MPACT) and thermal-hydraulics (CTF) packages are becoming more mature. Capturing the finer details of fuel phenomena (swelling, densification, relocation, gap closure, etc.) is the natural next step in the VERA Core Simulator (VERA-CS) development process since these phenomena are currently not directly taken into account. While several codes could be used to accomplish this, the BISON fuel performance code being developed by the Idaho National Laboratory (INL) is the focus of ongoing work in the Consortium for Advanced Simulation of Light Water Reactors (CASL). Built on INL’s MOOSE framework, BISON uses the finite element method for geometric representation and a Jacobian-free Newton-Krylov (JFNK) scheme to solve systems of partial differential equations for various fuel characteristic relationships. There are several modes of operation in BISON, but, for this work, it uses a 2D azimuthally symmetric (R-Z) smeared-pellet model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Report on Evaluation, Verification, and Assessment of Porosity Migration Model in Fast Reactor MOX Fuel

Abstract This report documents the progress of simulating pore migration in ceramic (UO 2 and mixed oxide or MOX) fuel using BISON. The porosity field is treated as a function of space and time whose evolution is governed by a custom convection-diffusion-reaction equation (described here) which is coupled to the heat transfer equation via the temperature field. The porosity is initialized to a constant value at every point in the domain, and as the temperature (and its gradient) are increased by application of a heat source, the pores move up the thermal gradient and accumulate at the center of the fuel in a time-frame that is consistent with observations from experiments. There is an inverse dependence of the fuel’s thermal conductivity on porosity (increasing porosity decreases thermal conductivity, and vice-versa) which is also accounted for, allowing the porosity equation to couple back into the heat transfer equation. Results from an example simulation are shown to demonstrate the new capability.

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BISON Theory Manual The Equations behind Nuclear Fuel Analysis

BISON is a finite element-based nuclear fuel performance code applicable to a variety of fuel forms including light water reactor fuel rods, TRISO particle fuel, and metallic rod and plate fuel. It solves the fully-coupled equations of thermomechanics and species diffusion, for either 2D axisymmetric or 3D geometries. Fuel models are included to describe temperature and burnup dependent thermal properties, fission product swelling, densification, thermal and irradiation creep, fracture, and fission gas production and release. Plasticity, irradiation growth, and thermal and irradiation creep models are implemented for clad materials. Models are also available to simulate gap heat transfer, mechanical contact, and the evolution of the gap/plenum pressure with plenum volume, gas temperature, and fission gas addition. BISON is based on the MOOSE framework and can therefore efficiently solve problems using standard workstations or very large high-performance computers. This document describes the theoretical and numerical foundations of BISON.

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Modeling Internal Material Melting

The purpose of the SEED LDRD was to create new functionality to model internal material melting and solidification inside the state-of-the-art nuclear fuel performance simulation code BISON.

97 MATHEMATICS AND COMPUTING↗

NEAMS FPL M2 Milestone Report: Development of a UO₂ Grain Size Model using Multicale Modeling and Simulation

This report summarizes development work funded by the Nuclear Energy Advanced Modeling Simulation program's Fuels Product Line (FPL) to develop a mechanistic model for the average grain size in UO₂ fuel. The model is developed using a multiscale modeling and simulation approach involving atomistic simulations, as well as mesoscale simulations using INL's MARMOT code.

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Massively Parallel Bayesian Model Calibration and Uncertainty Quantification with Applications to Nuclear Fuels and Materials

The U.S. Department of Energy (DOE)’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel cycle systems. This program has been providing engineering-scale support for the development of BISON, a high-fidelity and high-resolution fuel performance tool. Fuel behavior in a nuclear reactor is governed by a complex network of mechanisms interacting with various other physics aspects in the reactor system. Any model developed to represent the fuel behavior will likely be idealized resulting in uncertainties in their predictions compared to the observed data. As such, this report was motivated by the need to identify the sources of uncertainties and quantify and propagate them through the fuel model outputs. Such quantification of uncertainties will establish a level of model trustworthiness, identify approaches to improve the model trustworthiness, and even guide optimal experiment design for maximal information gain. To accomplish the uncertainty quantification for computational models, this report has relied on the Bayesian framework which provides probabilistic treatment of models their inputs and outputs. The current state-of-the-art on performing Bayesian Uncertainty Quantification (UQ) for nuclear engineering models using High Performance Computing (HPC) resources have been reviewed. Implementation of capabilities for massively parallel Bayesian UQ in Multiphysics Object-Oriented Simulation Environment (MOOSE) is discussed. Several verification cases are discussed to verify the accuracy of the quantified uncertainties using the developed computational capabilities in MOOSE. Then, the problem of quantifying the uncertainties in TRI-Structural isOtropic (TRISO) fuel silver release is addressed. For the first time, the uncertainties arising from the TRISO Fission Gas Release (FGR) model due to model inadequacy and experimental noise are quantified. Also, the Bayesian capabilities are applied to the calibration of the MATPRO creep model, a widely used model in several fuel assessment cases. The impact of the prediction uncertainties in the MATPRO model on the fuel cladding behavior as part of the TRIBULATION assessment case (which is an integral effects case) is investigated. This report concludes with a discussion on the future work for the UQ for computational models.

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Sensitivity analysis of thermal contact conductance modeling to inform MiniFuel irradiation capsule designs

The MiniFuel irradiation platform has been developed by Oak Ridge National Laboratory as a flexible, high-throughput separate effects testing capability within the High Flux Isotope Reactor (HFIR). Finite element thermal models are relied upon to design MiniFuel experiments to achieve a specific time-averaged irradiation temperature for experimental objectives. A previous study identified that uncertainty in the component heat generation rates and thermal contact conductance (TCC) model are the most significant contributors to predicted fuel temperature variance. To address both sources of uncertainty, this work performs sensitivity analysis on the TCC model to identify high-impact, high-uncertainty parameters that contribute to fuel temperature variance. The TCC model is analyzed in increasing detail, first using a standalone Python code, then again after coupling Python to the BISON fuel performance code. Furthermore, the parameters with the largest contributions to fuel temperature variance which can be reduced through design changes are identified as the initial subcapsule gas pressure, contact pressure between the fuel and dish, and the effective surface roughness of the interface. A set of design recommendations for future capsule designs has been established and applied to reduce the previously quantified average fuel temperature uncertainty ranges of ± 40 °C in the HFIR vertical experiment facilities (VXF) and ± 80 °C in the removable beryllium (RB) reflector to approximately ± 32 °C and ± 53 °C, respectively. This equates to a 21 % and 33 % reduction in the uncertainty range of the average fuel temperature for VXF and RB, respectively.

BISON↗

NEAMS-Multiphysics Technical Assistance in FY21

The Multiphysics Object Oriented Simulation Environment (MOOSE) [1] is a massively parallel finite-element/volume package for multiphysics simulation in science and engineering. The package focuses on providing rapid-development capabilities for engineering applications by leveraging well-built features from libMesh [2] and the Portable Extensible Toolkit for Scientific Computation (PETSc) [3]. Fiscal year 2021 (FY-21) was the first year with funding dedicated to supporting MOOSE-derived applications relevant to the Nuclear Engineering Advanced Modeling and Simulation (NEAMS) program. In this report we outline the work done to support NEAMS applications such as BISON, Griffin, Pronghorn, and System Analysis Module (SAM).

42 ENGINEERING↗

Orientation-Dependent Surface Faceting in UO{sub 2}

The surface behavior of UO{sub 2} plays an important role throughout the lifetime of this widely-used commercial nuclear fuel, from manufacturing to waste storage. UO{sub 2} surface properties affect fuel swelling behavior by determining the morphology, size and distribution of fission gas bubbles. Additionally, UO{sub 2} surface characteristics influence fracture behavior, which is controlled by the thermodynamics of fracture surfaces. Therefore, detailed understanding of the fundamental surface behavior will help advance prediction of the fuel performance of UO{sub 2}. Due to significant anisotropy in surface tension, faceting features form after annealing in both UO{sub 2} and many other crystalline materials. Knowledge of the correlation between crystallographic orientation and surface faceting features will expand the fundamental knowledge of UO{sub 2} surface characteristics, leading to a better understanding of fission gas swelling and fracture mechanisms. Inherent characterization technique limited previous studies on the crystallographic orientation of UO{sub 2} surface facets to low Miller index surfaces in single crystal specimens. In this study, synchrotron Laue microdiffraction was utilized to examine the crystallographic orientation of grains on the coarse surface of a polycrystalline UO{sub 2} specimen. The results were then compared with the surface morphology, obtained from scanning electron microscopy (SEM), so that a general correlation between the surface faceting features and crystallographic orientation in UO{sub 2} can be established. Both the fundamental surface characteristics and the crystallographic orientation measurements obtained in this study help advance the experiment validation of MARMOT, a mesoscale multi-physics code that predicts the coevolution of microstructure and properties within reactor fuel during its lifetime in the reactor. The MARMOT code is an indispensable component of the MOOSE-BISON-MARMOT (MBM) code suite that has been developed by Idaho National Laboratory to enable next generation fuel performance modeling capability as a part of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program Fuels Product Line (FPL). In this study, the surface-faceting features of UO{sub 2} were found to be dominated by the triple-plane structure and its variants. With this knowledge, by measuring the directions of the <110> edges, the crystallographic orientation of a surface UO{sub 2} grain can be precisely deduced in most regions of the standard stereogram triangle (SST) of the surface normal. (authors)

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