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Prince, Zachary M.

Publications and source records attributed to Prince, Zachary M..

At least 19 records

Griffin: A MOOSE-based reactor physics application for multiphysics simulation of advanced nuclear reactors

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor physics application for multiphysics simulations of advanced reactor designs jointly developed by Idaho National Laboratory and Argonne National Laboratory. This paper summarizes the motivation, significance, architecture, design, and features of Griffin. Griffin offers flexible and extensible features to address the challenges associated with advanced reactor designs. These features range from fundamental particle transport to specific reactor physics tasks. The features cover a wide range including on-the-fly and traditional two-step cross-section generation methods, steady-state and transient transport solvers suitable for both heterogeneous and homogeneous models, high-fidelity depletion where thousands of isotopes can be tracked and low-fidelity depletion characterized by burnup, etc. The most fundamental aspect that sets Griffin apart from other reactor analysis codes is that it is developed based on the MOOSE framework. A modular development approach is strongly enforced, with multiphysics being an essential element considered since the beginning of Griffin’s development. Griffin links various MOOSE physics modules and couples to other MOOSE-based applications and non-MOOSE-based applications for multiphyiscs simulations. Griffin includes three modules: ISOXML for preparing and managing multigroup cross sections, radiation transport for solving the neutron transport equation, and reactor analysis for user-oriented reactor physics analysis functionalities. Griffin uses various finite element methods for spatial discretization, multigroup approximation for energy discretization and discrete ordinates method, spherical harmonics expansion method, and diffusion approximation for streaming direction discretization to solve the neutron transport equation. Griffin’s flexibility is evidenced through Griffin’s various applications to fast reactor, high-temperature reactor, pebble bed reactor, molten salt reactor, and microreactor designs. Griffin development follows the software quality assurance procedure for MOOSE-based applications and with software requirements consistent with the ASME NQA-1 standard. Griffin has been adopted into the reactor analysis system for the U.S. NRC and is in use at U.S. companies, universities and national laboratories.

97 MATHEMATICS AND COMPUTING↗

Sensitivity analysis, surrogate modeling, and optimization of pebble-bed reactors considering normal and accident conditions

This research provides a valuable tool that streamlines the optimization process while significantly increasing its accuracy. This study creates a robust framework for reactor design optimization by incorporating comprehensive modeling using the Comprehensive Reactor Analysis Bundle, or BlueCRAB, within the Multiphysics Object-Oriented Simulation Environment (MOOSE). BlueCRAB is the United States Nuclear Regulatory Commission's code suite for non-light water reactor analysis and includes the Griffin, Pronghorn, and Bison applications. This not only improves the efficiency of the optimization process but also enhances the reliability of the results. Such a tool is essential for advancing the state-of-the-art in pebble-bed reactor technology and is critical for achieving the goals of Generation IV reactors, which aim for safe, sustainable, and economically viable nuclear energy solutions. This work presents and applies this workflow on pebble-bed reactors while considering both normal and off-normal conditions. A representative gas-cooled pebble-bed reactor at equilibrium core conditions serves as the nominal design specification for normal operation and is based on previous research. The depressurized loss-of-forced-cooling accident is deployed for off-normal conditions in this work. After defining design-related parameters and quantities of interest regarding reactor safety and performance, this multiphysics model is sampled using the MOOSE stochastic tools module. The result is a comprehensive dataset of configurations, enabling sensitivity analysis and the generation of surrogate models. Subsequently, the dataset and surrogate models are employed in two optimization studies aimed at maximizing fuel utilization and economic profit while adhering to safety and operational constraints. Performing the optimization process with fuel utilization as the metric leads to an improvement of approximately 10%, compared to engineering-judgment-based nominal conditions. The optimization on economic profit leads to an estimated increase of ~300 million USD over the lifetime of the reactor.

97 MATHEMATICS AND COMPUTING↗

Physics-based modeling and data analytics [Slides]

This presentation contains a summary of ongoing work within the physics-based modeling and data analytics work package within the Nuclear Materials Discovery and Qualification initiative (NMDQi). Topics include work on MOOSE-based crystal plasticity, molecular dynamics modeling of recombination in metals and alloys, the MOOSE Stochastic Tools Module, and machine learning and atomistic modeling to predict thermo-kinetic properties of nuclear structural materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

3.0 - MOOSE: Enabling massively parallel multiphysics simulations

The development of MOOSE has kept accelerating since the last release, with over 2,100 pull requests merged over the last 30 months that involved nearly fifty contributors across close to a dozen institutions internationally. The growth in MOOSE's capabilities and downstream applications is reflected in the growth of the community. User support provided on the GitHub discussions forum has steadily increased to nearly 50 daily interactions. New simulation projects, notably to model advanced nuclear reactor and fusion devices, are driving a significant expansion of the capabilities. This paper reports on these developments, with several major released features, new physics modules, and key improvements to the user experience and simulation workflow.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Neutron transport methods for multiphysics heterogeneous reactor core simulation in Griffin

Griffin is a reactor physics application based on the Multiphysics Object-Oriented Simulation Environment (MOOSE). This work discloses the methods, algorithms, and implementation for simulating heterogeneous reactor dynamics models. Griffin utilizes a discontinuous finite-element method with discrete ordinates (DFEM-S ) to discretize the field variable of the multigroup neutron transport equation. Multiphysics feedback is handled using two-step tabulated cross-section methodology. Feedback quantities are evaluated using the MOOSE-MultiApp system to couple various engineering phenomena, such as heat conduction and thermal fluids. The multiphysics DFEM-S system is solved using fixed-point iteration with a fully asynchronous parallel sweeper, unstructured coarse-mesh finite difference acceleration, and a multi-timescale improved quasi-static method scheme. The implementation is applied to a multiphysics microreactor model, with two transients: one initiated by a single heat-pipe failure and another by control drum rotation. Importantly, these examples demonstrate the ability of Griffin to tractably solve the neutron transport equation considering seven independent variables and feedback.

97 MATHEMATICS AND COMPUTING↗

Multiphysics Pebble-Bed Reactor Control Rod Withdrawal Study

This work studied the responses of both a generic gas- and a fluoride-cooled PBR concept---the gPBR-200 and gFHR, respectively---during reactivity insertion accidents. Both models rely on 2-D axisymmetric simulations to solve the neutron flux distribution, nuclide concentrations, and temperature across the core---in addition to numerous representative pebble and TRISO particle simulations for determining fuel and moderator temperatures. This not only allows for computing maximum temperatures in the core---thus enabling estimation of how near the fuel is to peak operational and safety limits---as prescribed by specified acceptable fuel design limits, which are determined in such a way that fuel is not damaged during operational or anticipated abnormal occurrences---but also predicting how much of the core exceeds a given temperature limit, as well as determining the local energy deposition rate. These models consider both control rod withdrawal and ejection events. The former introduces a great deal more reactivity, as all the control rods are withdrawn (as opposed to a single one in the latter case), though at a much slower pace. In addition, for the gPBR-200, two limiting cases were considered: one with the core starting under hot full-power conditions and one with it starting under cold zero-power conditions. While the amount of reactivity added in the latter case is much higher (due to the far lower temperatures and the lack of neutron poisons such as Xe-135), the margin to temperature limits is also much more significant. Overall, for the design considered, none of the accidents resulted in the maximum fuel temperature reaching values close to the TRISO limit. However, the methodology presented herein could be very relevant if some designs consider reduced margins (e.g., higher temperatures) to achieve enhanced economics. Further model improvement is needed to better capture control rod worth, both in terms of cusping effects (as the rods are slowly withdrawn) and differential worth, especially as the tips of the rods near the upper cavity.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

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.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Automated power-following control for nuclear thermal propulsion startup and shutdown using MOOSE-based applications

This paper describes an investigation of various automated control strategies applied to a full-core multiphysics Griffin/Bison/RELAP-7 model of a prototypical nuclear thermal propulsion system. In all cases, control is achieved by actuating control drums based on the demanded power and predicted quantities from the numerical model. One key finding is that hybrid proportional integral derivative controllers – a novel type of controller that uses both power and reactivity predicted signals – can demonstrate a level of performance rivaling that of period-generated control. The former requires parameter tuning, while the latter mostly necessitates providing reactivity coefficients and temperature rates of change, which could be very challenging to accurately measure in real-time. In addition, decay heat plays an important role in determining cooling requirements during cooldown phases. A decay heat model, accounting for burn time and throttling, was derived, and is incorporated within the model to simulate the steady-state and shutdown phases and satisfyingly follow the power demand. However, temperature overshoots and non-constant specific impulse during throttling will necessitate further improvements.

33 ADVANCED PROPULSION SYSTEMS↗

Deep Learning for Multigroup Cross-Section Representation in Two-Step Core Calculations

Here we investigate using deep learning, a type of machine-learning algorithm employing multiple layers of artificial neurons, for the mathematical representation of multigroup cross sections for use in the Griffin reactor multiphysics code for two-step deterministic neutronics calculations. A three-dimensional fuel element typical of a high-temperature gas reactor as well as a two-dimensional sodium-cooled fast reactor lattice are modeled using the Serpent Monte Carlo code, and multigroup macroscopic cross sections are generated for various state parameters to produce a training data set and a separate validation data set. A fully connected, feedforward neural network is trained using the open-source PyTorch machine-learning framework, and its accuracy is compared against the standard piecewise linear interpolation model. Additionally, we provide in this work a generic technique for propagating the cross-section model errors up to the k eff using sensitivity coefficients with the first-order uncertainty propagation rule. Quantifying the eigenvalue error due to the cross-section regression errors is especially practical for appropriately selecting the mathematical representation of the cross sections. We demonstrate that the artificial neural network model produces lower errors and therefore enables better accuracy relative to the piecewise linear model when the cross sections exhibit nonlinear dependencies; especially when a coarse grid is employed, where the errors can be halved by the artificial neural network. However, for linearly dependent multigroup cross sections as found for the sodium-cooled fast reactor case, a simpler linear regression outperforms deeper networks.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

2.0 - MOOSE: Enabling massively parallel multiphysics simulation

The last 2 years have been a period of unprecedented growth for the MOOSE community and the software itself. The number of monthly visitors to the website has grown from just over 3,000 to now averaging 5,000. In addition, over 1,800 pull requests have been merged since the beginning of 2020, and the new discussions forum has averaged 600 unique visitors per month. The previous publication has been cited over 200 times since it was published 2 years ago. This paper serves as an update on some of the key additions and changes to the code and ecosystem over the last 2 years, as well as recognizing contributions from the community.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Automated Control for Nuclear Thermal Propulsion Start-Up using MOOSE-based Applications

This report presents a Griffin/Bison/RELAP-7 numerical model of a prototypical NTP system that features fuel assemblies arranged in rings, and which was designed to simulate rapid startup transients. The physics modeled include full-core neutronics, assembly-wise heat conduction, and conjugate heat transfer, with the balance of plant mainly imposed through boundary conditions. In addition, various forms of automated reactivity control were deployed by using the MOOSE to autonomously drive the model and simulate the reactor transitioning from assumed initial conditions to nominal power in a fraction of a minute. To generate the cross-sections of the neutronics model, and in an effort to simultaneously account for the tremendous axial temperature gradients in the reactor and to limit the number of state points required for cross-section generation, the average component temperatures and hydrogen densities in the cooling channels were correlated to the average fuel and moderator temperatures, and fixed axial profiles were derived for nominal conditions and then used during the transient. With this approximation, a tractable cross-section library tabulated with fuel/moderator temperatures and CD angles was generated using Serpent. The full-core SPH correction procedure and the CD decusping technology in Griffin, respectively, ensure preservation of the multiplication factor and reaction rates at state points, along with a reasonably accurate reactivity worth between tabulated CD angles, despite using a coarse mesh. Feedback from other physics was calculated by modeling one representative fuel assembly per ring, along with the corresponding fuel and moderator cooling channels. To limit power overshoots during startup, another layer of multiphysics coupling was added to the model in order to automatically control the drums. Two different technologies presented herein showed outstanding performance in this regard: (1) a novel hybrid PID controller based on both power and reactivity signals, and (2) a PGC that relies on kinetics parameters and reactivity coefficients to predict future behavior and adjust the desired signal accordingly. A challenging benchmark was devised, featuring a power demand curve that exponentially increases by a factor of 500 within 30 seconds, then levels out after that. Both control approaches create a simulated power curve that closely follows the power demand curve and limits power overshoots to 1% or less. While the former approach requires more tuning of the internal parameters, the latter requires additional knowledge of the reactivity feedback coefficients and rates of change of the corresponding variables, including fuel and moderator temperature, which could be difficult to dynamically measure for a real NTP system. Fortunately, some inaccuracy in these quantities will not drastically degrade the PGC performance. Subsequently, a more realistic startup sequence was considered, in which the mass flow rate and outlet pressures are ramped up to model bootstrap and thrust build-up phases prior to reaching steady-state conditions, demonstrating the ability of the hybrid PID and PGCs to handle such transients, with both types of controllers exhibiting very similar behavior. Nevertheless, a significant chamber temperature overshoot was observed, caused by the demanded power signal and assumed mass flow rate. This issue could be mitigated by deploying a reactor controller that follows the chamber temperature signal and actuates both the control valves and drums (rather than using a power signal based solely on the drums to control reactivity). Enhancement of the hydrogen fluid properties available in MOOSE, as well as a better understanding of prototypical initial conditions, are also needed to further enhance this startup model. Finally, a study was performed to model decay heat post-shutdown, and to prepare for extending this model to predict shutdown behavior and post-shutdown pulsed cooling requirements.

33 ADVANCED PROPULSION SYSTEMS↗

Reliability estimation of an advanced nuclear fuel using coupled active learning, multifidelity modeling, and subset simulation

Tristructural isotropic (TRISO)-coated particle fuel is a robust nuclear fuel and determining its reliability is critical for the success of advanced nuclear technologies. However, TRISO failure probabilities are small and the associated computational models are expensive. Here we used coupled active learning, multifidelity modeling, and subset simulation to estimate the failure probabilities of TRISO fuels using several 1D and 2D models. With multifidelity modeling, we replaced expensive high-fidelity (HF) model evaluations with information fusion from two low-fidelity (LF) models. For the 1D TRISO models, we considered three multifidelity modeling strategies: only Kriging, Kriging LF prediction plus Kriging correction, and deep neural network (DNN) LF prediction plus Kriging correction. While the results across these multifidelity modeling strategies compared satisfactorily, strategies employing information fusion from two LF models called the HF model least often. Next, for the 2D TRISO model, we considered two multifidelity modeling strategies: DNN LF prediction plus Kriging correction (data-driven) and 1D TRISO LF prediction plus Kriging correction (physics-based). The physics-based strategy, as expected, consistently required the fewest calls to the HF model. However, the data-driven strategy had a lower overall simulation time since the DNN predictions are instantaneous, and the 1D TRISO model requires a non-negligible simulation time.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Accelerated statistical failure analysis of multifidelity TRISO fuel models

Statistical nuclear fuel failure analysis is critical for the design and development of advanced reactor technologies. Although Monte Carlo Sampling (MCS) is a standard method of statistical failure analysis for fuels, the low failure probabilities of some advanced fuel forms and the correspondingly large number of required model evaluations limit its application to low-fidelity (e.g., 1-D) fuel models. In this paper, we present four other statistical methods for fuel failure analysis in Bison, considering tri-structural isotropic (TRISO)-coated particle fuel as a case study. The statistical methods considered are Latin hypercube sampling (LHS), adaptive importance sampling (AIS), subset simulation (SS), and the Weibull theory. Using these methods, we analyzed both 1-D and 2-D representations of TRISO models to compute failure probabilities and the distributions of fuel properties that result in failures. The results of these methods compare well across all TRISO models considered. Overall, SS and the Weibull theory were deemed the most efficient, and can be applied to both 1-D and 2-D TRISO models to compute failure probabilities. Moreover, since SS also characterizes the distribution of parameters that cause TRISO failures, and can consider failure modes not described by the Weibull criterion, it may be preferred over the other methods. Finally, a discussion on the efficacy of different statistical methods of assessing nuclear fuel safety is provided.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Efficient high-fidelity TRISO statistical failure analysis using Bison: Applications to AGR-2 irradiation testing

The ability of tri-structural isotropic (TRISO) fuel to contain fission products is largely dictated by the quality of the manufacturing process, since most of the fission product release is expected to occur due to coating layer failure in a small number of particles containing defects. The Bison fuel performance code has capabilities to predict failure in individual particles, accounting for the presence of defects, and to apply statistical analysis methods to compute the probability of failure in a set of fuel particles. Bison has recently undergone significant development both to improve its physical representations of fuel particle behavior and to improve the efficiency of its statistical failure calculations. Physical model improvements include new capabilities to account for the pressure generated by fission gases on inner pyrolytic carbon (IPyC) crack surfaces and to use local material coordinate orientation to accurately incorporate the anisotropy in the material properties in aspherical particles. To improve statistical modeling efficiency, a direct integration approach which involves directly integrating the failure probability function associated with statistically varying parameters has been developed. The direct integration approach is much more efficient than the Monte Carlo (MC) schemes commonly employed, and allows Bison to directly run high-dimensional fuel performance models, which improves the accuracy of failure probability calculations. Finally, a set of benchmark problems is considered here to compare the MC and direct integration approaches, and a statistical failure analysis of compacts in the Advanced Gas Reactor (AGR)-2 experiments is performed using the direct integration approach.

36 MATERIALS SCIENCE↗

Performance Improvements for the Griffin Transport Solvers

Griffin is a Multiphysics Object-Oriented Simulation Environment based reactor multiphysics analysis application jointly developed by Idaho National Laboratory and Argonne National Laboratory. Griffin includes a variety of deterministic radiation transport solvers for fixed source, k-eigenvalue, adjoint, and subcritical multiplication, as well as transient solvers for point-kinetics, improved quasi-static, and spatial dynamics. A code assessment performed in FY-20 identified two significant issues with the transport solvers in Griffin: first, the primary heterogeneous SN (discrete ordinates) transport solver based on continuous finite element methods required significant mesh refinement and higher memory usage compared to solvers based on the method of characteristic for equivalent accuracy. Second, the homogeneous PN (spherical harmonics expansion) transport solver did not adequately support polynomial refinement, which is a feature usually required for problems with spatial homogenization and pronounced streaming, typical in fast or gas-cooled reactor systems. To address the first issue, the development effort focused on the more promising discontinuous finite element method (DFEM)-based SN transport solver in Griffin. The addition of an asynchronous parallel transport sweeper and coarse mesh finite difference (CMFD) acceleration have rendered a superior heterogeneous SN transport capability for multiphysics problems that requires far less computing resources in terms of both CPU time and memory usage. This is demonstrated with typical thermal- and fast-spectrum reactor benchmark problems, including 2D Transient Reactor Test, 3D Advanced Burner Test Reactor (ABTR), and 2D and 3D Empire microreactor. For the second issue, the development effort focused on a new transport solver based on the hybrid finite element PN method (HFEM-PN), equivalent to the variational nodal method, as well as a new diffusion solver based on HFEM-Diffusion. This solver is intended for homogenized domains with multiphysics coupling (i.e., supports mesh displacement, seamless temperature feedback, etc.). Initial calculations with the HFEM-Diffusion implementation show very good parallel efficiency for the residual evaluations with the 2D ABTR benchmark. A future development effort will be centered on further improvements to the CMFD, HFEM-PN, and DFEM diffusion solvers to ensure Griffin meets performance and software quality assurance requirements for advanced reactor design and analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Enhanced mechanical property evaluation using innovative data analytics capability

This report focuses on efforts to improve Multiphysics Object-Oriented Simulation Environ-ment (MOOSE) for mechanical property evaluation using data analytics. These efforts involveimprovements to the stochastic tools module (STM) for stochastic simulations of MOOSE mul-tiphysics model and the development of inverse optimization capabilities. The report gives anoverview of the STM and describes recent updates to its core capabilities and theory on itsreduced-order model (ROM) schemes. Examples are also provided showing the impact of theseupdates and exhibits the usefulness of ROMs. An overview of the gradient based inverse opti-mziation algorithms are given along with examples of their application to source identification.Inverse optimization will provide a new methodology in STM for fitting model parameters toexperimental data.

97 MATHEMATICS AND COMPUTING↗

Griffin Software Development Plan

Griffin is a MOOSE-based reactor physics application for advanced reactor multiphysics modeling and simulation. The application is developed in a consistent multiphysics environment with strong software quality assurance. Griffin inherited most of the capabilities of MAMMOTH/Rattlesnake and is adopting the capabilities from PROTEUS that are needed in the code. The toolset includes a variety of deterministic radiation transport solvers for fixed source, k-eigenvalue, ad-joint, and subcritical multiplication, as well as transient solvers for point-kinetics, improved quasi-static, and spatial dynamics. The code contains the cross-section preparation capabilities applicable to fast and thermal reactors, including TRISO-fueled reactors. Core management capabilities include core performance, fuel depletion and shuffling, equilibrium core calculation, pebble-bed reactor run-in and equilibrium core, molten-salt reactor delayed neutron precursor drift, and control rod and drum movement with cusping correction. This software development plan presents the current and future capabilities and features in Griffin for the design and analysis of non-light-water reactor systems in steady-state and transient conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗