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DOE OSTI2023

Release on the Virtual Test Bed of an MSRE thermal hydraulics model

The nuclear industry is taking leaps in innovations with companies seeking a sustainable energy future through advanced nuclear reactors. The \gls{DOE}’s \gls{neams} program seeks to substantiate and bolster the deployment of advanced reactors through flexible multifidelity, multiphysics simulations of advanced nuclear reactors. Applications like SAM for one-dimensional systems thermal-hydraulics, and Pronghorn for multidimensional coarse mesh thermal-hydraulics, are geared to support innovations in industry by facilitating design, optimization, and licensing of advanced nuclear reactors. Coupling systems thermal-hydraulics and computational fluid dynamics codes can be difficult as the pressure coupling converges slowly; however, it is important to obtain the desired accuracy in each part of the primary loop. The authors of this model created an \gls{odc}~\cite{Mau23} approach to coupling SAM and Pronghorn. Leveraging this coupling technique, a \gls{msre} model was developed and released to the \gls{neams}/\gls{nric} \gls{vtb}. The \gls{msre} was chosen to be modeled because of the wealth of experimental data available and because of the strong physics coupling between the core and primary circuit \cite{doi:10.13182/NT8-2-118}. This document contextualizes the history of the \gls{msre}, describes the thermal hydraulics models used, and detail the implementation of multidimensional thermal-hydraulics and system codes based on the \gls{odc} method~\cite{Penn} for the \gls{msre} model. Finally, this document presents how other modelers could apply the SAM-Pronghorn \gls{odc} for other advanced reactor models. Current item is the set of slides for ANS Winter 23. The release of the model and the ANS summary have already been approved

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Electrochemical Characterization of Molten Salt Chemistry During Atmospheric Ingressions

This report describes the salt chemistry and sedimentation studies that were completed in FY23 as part of the Pyrochemical Fuel Cycles – ANL project. The primary objective of these activities was to employ electrochemical methods in order to quantify and gain insights into the reaction mechanisms associated with the interaction of O2 and moisture impurities with the molten chloride salts used for the pyrochemical processing of nuclear materials. If not monitored and controlled, the ingression of these atmospheric impurities can lead to changes in the salt redox conditions and initiate the formation of oxide particles, potentially resulting in operational and safeguards challenges. By elucidating the mechanisms underlying the formation of oxide particles, we can effectively monitor the conditions of the salt and design systems to mitigate the influence of atmospheric O2 and H2O. To achieve these goals, we designed a test system that allowed for precisely controlled gas ingressions into the molten salt vessel. This system included on-line monitoring provided by electrochemical probes that enable near real-time measurements of the salt conditions throughout the course of the experiment. Using this system, we systematically varied experimental conditions, including O2/Ar flow rates and O2 concentrations, to comprehensively understand their impact on solid particle formation. We also used a particle size and shape analyzer to characterize the particles that were generated. Tests in FY23 concentrated on the formation of CeO2 particles, but we also prepared a separate apparatus targeting UO2 particles for use in FY24. We additionally conducted extensive modeling activities in support of this work. This included multiphysics simulations of the gas ingressions along with the development of a machine learning workflow to enable accelerated molecular dynamics modeling of the molten salt chemistry of LiCl-KCl-UCl3. The combination of experimental and modeling tools has allowed us to begin to get a more complete understanding of the reactions that occur when atmospheric ingressions occur in pyroprocessing systems.

Guo, Jicheng↗

DOE OSTI2023

Release on the Virtual Test Bed of an MSRE thermal hydraulics model

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Thermal Hydraulic Modeling of an Advanced Nuclear Reactor using open-source MOOSE tools

The aim of this study is to develop model of a small High Temperature Gas cooled Reactor (HTGR) including the balance of plant. This microreactor produces electricity using the thermal power of the nuclear reaction. This work utilizes the MOOSE Multiphysics simulation tools, which are mainly developed at Idaho National Laboratory (INL, Idaho, United States of America). Its thermal-hydraulics and Heat conduction Modules are used to study the fluids behavior in the primary loop and power conversion system and their interactions with the heating structures. More specifically, one verifies that the temperatures, pressures and mass flow rates of the fluids in both loops are consistent and that, at the same time, all the power transfers occur as expected. Moreover, the various mechanical components characteristics (turbine, compressor, pump) are adapted to the reactor operating conditions. This first analysis is conducted using simplified and one-dimensional model for the core. Ultimately, the obtained results are used to build a higher fidelity core model. This step aims to verify that the initial simplified simulation is consistent with the three-dimensional core modeling. In addition, the calculated material temperatures are checked. This study provides a fairly complete model of the thermal hydraulic phenomena for a particular design of High Temperature Gas cooled Reactor.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Sensitivity Study of Multiscale and Phenomenological Elasto-Viscoplastic Grade 91 Material Models for Component-Scale Response

Many advanced nuclear reactor concepts currently being developed are targeting higher operating temperatures relative to the current fleet of light water nuclear reactors, for efficiency gains and other operational considerations. The design of high temperature structural components with reliable long-term operational performance will depend on material models that accurately capture the inelastic deformation mechanisms active in these environments. In this work, we perform a detailed parameter sensitivity analysis of two unified elasto-viscoplastic Grade 91 material models capable of capturing long term high temperature creep deformation. The first model is a phenomelogical material model from the Nuclear Engineering Material Library (NEML) developed at Argonne National Lab. The NEML model parameters and their uncertainty were fit to a range of Grade 91 experimental data using Bayesian Markov Chain Monte Carlo analysis. The second model is a LAROMance data-driven surrogate material model developed at Los Alamos National Lab. The LAROMance model is fit to a large database of responses produced by a mechanistic crystal plasticity based polycrystal model. Parameters for the LAROMance surrogate material model reflect the pedigree of the Grade 91 microstructure. Both material models have been integrated into the Grizzly code, based on the open-source MOOSE multiphysics simulation framework, to simulate both the progression of aging mechanisms and the effects of that aging on nuclear power plant structures. Grizzly is used analyze a three-dimensional Grade 91 piping system to compare the long-term inelastic response predicted by these two fundamentally different models and assess the sensitivity of the material model input parameters on this quantity of interest.

42 ENGINEERING↗

DOE OSTI2022

Numerical study of advanced solar receiver tubes based on a coupled thermo-mechanical analysis for concentrated solar power tower plant

The search for more sustainable energy to match the growing energy demand begins with finding more dispatchable resources such as solar energy. As one of the promising solar technologies, concentrated solar power (CSP) has a full capacity to store thermal energy for extended operation. Nevertheless, some key components in CSP systems usually face extreme environment, such as uneven solar flux, cyclic thermal expansion, structural degradation on the solar absorber tubes in a Concentrated Solar Power Tower (CSPT) Plant. In this study, we applied Multiphysics simulation to explore the benefits of introducing optimized fins for heat transfer enhancement and uniform temperature distribution, the goal is to improve the thermal efficiency of such advanced solar absorber tubes. The results of this study can supply design guidance for the manufacturing process of absorber tubes, and eventually can benefit the solar energy community for the next generation of molten salt based CSP system.

14 SOLAR ENERGY↗

DOE OSTI2026

Increasing Radon Daughter Plate-out onto Superconducting Qubits

Radon daughter plate-out may pose a fundamental limitation to realizing large-scale superconducting quantum computers. Radon daughters plated-out on a superconducting qubit can decay, releasing energy into the substrate, producing phonons. Phonon-induced quasiparticles then generate bit-flip errors and reduce coherence times. We seek to increase plate-out on chips to enable future study of the impact of radon on coherence times. In this project, we utilize COMSOL Multiphysics simulations to visualize electric field configuration and model ion transport to finalize design of a device to increase radon plate-out on qubit chips.

Kay, Dax [Fermilab; Northwestern U.]↗

DOE OSTI2020

Benchmark problems for the Mesoscale Multiphysics Phase Field Simulator (MEMPHIS)

This report details the current benchmark results to verify, validate and demonstrate the capabilities of the in-house multi-physics phase-field modeling framework Mesoscale Multiphysics Phase Field Simulator (MEMPHIS) developed at the Center for Integrated Nanotechnologies (CINT). MEMPHIS is a general phase-field capability to model various nanoscience and materials science phenomena related to microstructure evolution. MEMPHIS has been benchmarked against a suite of reported classical phase-field benchmark problems to verify and validate the correctness, accuracy and precision of the models and numerical methods currently implemented into the code.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2022

COUPLED MULTIPHYSICS PRIMARY LOOP SIMULATIONS OF THE Mk1-FHR IN THE VIRTUAL TEST BED

The Virtual Test Bed (VTB) repository hosts a wide range of challenge problems to showcase modeling and simulation capabilities to support advanced reactor demonstration. A coupled multiphysics model of the Mk1 pebble-bed fluoride-salt-cooled high-temperature reactor (PB-FHR) is presented here. The analysis leverages NEAMS tools (Griffin), SAM, Pronghorn, and the MOOSE heat conduction module) for core neutronics, thermal hydraulics of the core and the primary loop, and multiscale fuel performance simulations. The analysis was entirely created by coupling standalone simulations of the reactor previously available on the VTB. All input files and documentation developed for this example are available on the VTB website: \url{mooseframework.inl.gov/virtual_test_bed/}}. This model was featured in the NRIC Tech Talk presented in December 2021.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Multiscale thermal properties prediction in the Multiphysics Object Oriented Simulation Environment (MOOSE) via a general Boltzmann solver [Poster]

The project objectives were: (1) Engineering-scale fuel performance modeling relies on accurate thermal properties; (2) Thermal properties are inherently multi-scale, arising from atomistic processes and interactions with a material’s microstructure; (3) Heat transport in solids via conduction occurs through transport and scattering of electrons and phonons; (4) Use the Boltzmann transport equation (BTE) to predict the macroscopic behavior of a materials system in terms of the microscopic dynamics of its heat carriers; and (5) This project establishes a new MOOSE (Multiphysics Object Oriented Simulation Environment) module, Boltzmann, dedicated to phonon and thermal electron transport.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Coupled Multiphysics Primary Loop Simulations of the Mk1-FHR in the Virtual Test Bed

To support advanced reactor demonstrations, the Virtual Test Bed (VTB) [1] repository hosts a wide range of challenge problems for showcasing modeling and simulation capabil- ities in support of advanced reactor demonstrations. This document presents a coupled multiphysics model of the Mark 1 pebble-bed fluoride-salt-cooled high-temperature reactor (PB-FHR). The analysis leverages NEAMS tools (Griffin [2], SAM [3], Pronghorn [4], and the MOOSE [5] heat con- duction module) for core neutronics, thermal hydraulics of the core and primary loop, and multiscale fuel performance simulations. The analysis was entirely created by coupling standalone simulations of the reactor that were previously available on the VTB. All input files and documentation de- veloped for this example are available on the VTB website: mooseframework.inl.gov/ virtual_test_bed/ . This model was featured in the National Reactor Innovation Cen- ter Tech Talk presented in December 2021.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Multiphysics Running-In Simulations for Pebble-Bed Reactors with Griffin

Griffin, a Multiphysics Object-Oriented Simulation Environment (MOOSE)–based application targeting transient modeling of advanced reactors, has been used recently to model pebble-bed reactors (PBRs). The modeling effort has focused thus far on equilibrium core calculations. A new capability to simulate the running-in phase of PBR operation has been added to Griffin. This work demonstrates the new capability with a coupled multiphysics running-in simulation. Griffin computes power densities in the core at each time step of the running-in simulation and passes these to Pronghorn, which models fluid flow and heat transfer to calculate pebble surface temperatures. These surface temperatures are used along with the power densities in a heat conduction model to compute average fuel and moderator temperatures, which are passed back to Griffin and accounted for with temperature-dependent cross sections. This work also describes a novel methodology for determining appropriate pebble feed rates and control rod positioning during the running-in simulation. Furthermore, the RZ-geometry model used in this work requires minimal computational resources and can be used for optimization and uncertainty studies in future works.

Griffin↗

DOE OSTI2025

Software Quality Assurance for the MOOSE-Based Open-Source Multiphysics Code Cardinal - An Expanded CI Testing Suite

Cardinal is a wrapping of the GPU-oriented spectral element Computational Fluid Dynamics (CFD) code NekRS and the Monte Carlo particle transport code OpenMC within the Multiphysics Object-Oriented Simulation Environment (MOOSE). Cardinal provides high-resolution thermal-hydraulics and/or radiation transport feedback to MOOSE multiphysics simulations. Multiphysics feedback is implemented in a geometry-agnostic manner which eliminates the need for rigid one-to-one mappings. A generic data transfer implementation also allows NekRS and OpenMC to couple to any MOOSE application, enabling a broad set of multiphysics capabilities. Cardinal simulations can also leverage combinations of MPI, OpenMP, and GPU resources. Cardinal continuous development and improvement efforts have led to the software being considered as a high-fidelity design and licensing tool for key areas of nuclear reactor relevant physics, including neutron transport, fluid flow, heat transfer, and mechanical processes. The fast development and expansion of the software from a pure R&D framework towards its application in the nuclear industry and regulation require a focus on developing, enhancing and, maintaining Cardinal’s software quality through strict adherence to a Software Quality Assurance (SQA) framework and SQA program. To facilitate compliance with SQA standards, the Cardinal SQA Program has been initiated during Fiscal Year 2023 (FY23). During the development of the Cardinal SQA Program, multiple gaps have been identified. These gaps are primarily related to model verification and code pedigree as they relate to the use of Cardinal as a safety analysis tool. These gaps have been captured in a report published in 2023. A second report highlighted the progress made during Fiscal Year 2024 (FY24) and described Argonne’s effort to document and integrate software verification within Cardinal’s software development process. This report documents a snapshot of the verification test cases currently available for Cardinal and NekRS in their assimilation into a Continuous Integration (CI) platform. Following the CI practice permits the integrating of source code changes frequently and ensuring that the integrated codebase clears the verification testing for the software. It should be noted that the SQA program itself, including the program plans, procedures, configuration management, and testing strategies, need to be developed in a future step of this task.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Progress Towards NQA-1 for Cardinal in FY25

Cardinal is a wrapping of the GPU-oriented spectral element Computational Fluid Dynamics (CFD) code NekRS and the Monte Carlo particle transport code OpenMC within the Multiphysics Object-Oriented Simulation Environment (MOOSE). Cardinal provides high-resolution thermal-hydraulics and/or radiation transport feedback to MOOSE multiphysics simulations. Multiphysics feedback is implemented in a geometry-agnostic manner which eliminates the need for rigid one-to-one mappings. A generic data transfer implementation also allows NekRS and OpenMC to couple to any MOOSE application, enabling a broad set of multiphysics capabilities. Cardinal simulations can also leverage combinations of MPI, OpenMP, and GPU resources. Cardinal continuous development and improvement efforts have led to the software being considered as a high-fidelity design and licensing tool for key areas of nuclear reactor relevant physics, including neutron transport, fluid flow, heat transfer, and mechanical processes. The fast development and expansion of the software from a pure R&D framework towards its application in the nuclear industry and regulation require a focus on developing, enhancing,and maintaining Cardinal’s software quality through strict adherence to a Software Quality Assurance (SQA) framework and SQA program. To facilitate compliance with SQA standards, the Cardinal SQA Program was initiated during Fiscal Year 2023 (FY23). During the development of the Cardinal SQA Program, multiple gaps have been identified. These gaps are primarily related to model verification and code pedigree as they relate to the use of Cardinal as an analysis tool. These gaps were captured in a report published in 2023. A second report highlighted the progress made during Fiscal Year 2024 (FY24) and described Argonne’s effort to document and integrate software verification within Cardinal’s software development process. This report documents the progress made towards NQA-1 for Cardinal in the Fiscal Year 2025 (FY25). All cases in the expanded Continuous Integration (CI) suite of NekRS are included in this report which test the solvers and modules available in NekRS exhaustively. The NekRS tests are integrated with the Cardinal CI suite and made available in publicly accessible Github documentation. Following the CI practice permits integrating of source code changes frequently and ensuring that the integrated codebase clears the verification testing for the software. Also in this report is a brief overview of the development of the Cardinal Software Quality Assurance Plan (SQAP) that was done in FY25, though it should be noted that the rest of the documentation for the SQA program needs to be developed in a future step of this task.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Coupling of CTF and RELAP5-3D Within an Enhanced Fidelity Nuclear Power Plant Simulator

A robust and accurate multiphysics engineering simulator is being developed to model the core behavior and system response of pressurized water reactors. This simulator relies on the NESTLE and CTF computer codes to model the neutronics and thermal hydraulics (TH), respectively, inside the core on a nodal scale and on the Reactor Excursion and Leak Analysis Program—Three Dimensional (RELAP5-3D) to model the entire nuclear steam supply system. The RELAP5-3D model includes highly detailed nodalization and multidimensional flow modeling throughout the vessel. Previously, pin-resolved data generated via the Virtual Environment for Reactor Analysis core simulator were used to improve the accuracy of the NESTLE core predictions. The engineering simulator being developed as part of this work uses the 3KEYMASTER platform to couple the enhanced NESTLE model to a nodal-fidelity CTF model to balance run time with accuracy; NESTLE provides node-dependent powers to CTF, and CTF provides node-dependent coolant densities and fuel temperatures to NESTLE.An overlapping domain approach is used for the core TH in which RELAP5-3D provides core boundary conditions based on the system response and CTF provides a node-dependent coolant heating rate to the RELAP5-3D core solution. In the preliminary TH demonstration discussed in this paper, CTF and RELAP5-3D provided similar steady-state core predictions, indicating the hydraulic compatibility between the codes, as well as reasonable and expected behavior under hypothetical transient conditions. This provides an initial step in ongoing efforts toward a robust, multiscale TH/neutronics engineering simulator capability.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

INL Report: Multiphysics Modeling and Simulation of Deimos, an Advanced Reactor Experiment

When designing a novel reactor, nuclear experiments are essential to validate the predictive capability of modeling/simulation tools and to justify the investment of a full-scale prototype. Being able to accurately predict temperature reactivity coefficients is of high importance to reactor designers as it impacts the safety and performance of the system. Deimos is a proposed graphite-moderated, beryllium-reflected, high assay low-enriched uranium (HALEU) tri-structural isotropic (TRISO) fueled experiment for NCERC. Deimos is a valuable experiment for validating the predictive performance of modeling and simulation tools since it comprises a relatively thermal energy spectrum with 84% thermal neutrons causing fission, 15% epithermal neutrons causing fission, and 1% fast neutrons causing fission. Additionally, by electrically heating the experiment, reactivity can be validated at various temperatures. Deimos will serve as a testbed for future advanced reactor concepts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Exascale Multiphysics Nuclear Reactor Simulations for Advanced Designs

ENRICO is a coupled application developed under the U.S. Department of Energy's Exascale Computing Project (ECP) targeting the modeling of advanced nuclear reactors. It couples radiation transport with heat and fluid simulation, including the high-fidelity, highresolution Monte-Carlo code Shift and the Computational fluid dynamics code NekRS. NekRS is a highly-performant open-source code for simulation of incompressible and low-Mach fluid flow, heat transfer, and combustion with a particular focus on turbulent flows in complex domains. It is based on rapidly convergent high-order spectral element discretizations that feature minimal numerical dissipation and dispersion. State-of-the-art multilevel preconditioners, efficient high-order time-splitting methods, and runtime-adaptive communication strategies are built on a fast OCCA-based kernel library, libParanumal, to provide scalability and portability across the spectrum of current and future high-performance computing platforms. On Frontier, Nek5000/RS has recently achieved an unprecedented milestone in breaching over 1 billion spectral elements and 350 billion degrees of freedom. Shift has demonstrated the capability to transport upwards of 1 billion particles per second in full core nuclear reactor simulations featuring complete temperature-dependent, continuous-energy physics on Frontier. Shift achieved a weak-scaling efficiency of 97.8% on 8192 nodes of Frontier and calculated 6 reactions in 214,896 fuel pin regions below 1% statistical error yielding first-of-a-kind resolution for a Monte Carlo transport application.

Hamilton, Steven P.↗

DOE OSTI2025

New developments and verification of fusion blanket simulation capabilities in the MOOSE framework

Multiphysics modeling capabilities have a crucial role to play in the accelerated deployment of fusion energy. To that end, we developed new multiphysics fusion blanket simulation capabilities in the Multiphysics Object-Oriented Simulation Environment (MOOSE). Firstly, we expanded on the existing capabilities of the previously published work, by coupling 3D tritium transport modeling capabilities using the Tritium Migration Analysis Program, version 8 (TMAP8) to an existing tool including thermal hydraulics, fully three-dimensional (3D) heat transfer, and loosely coupled neutronics analysis. Secondly, we performed a thorough verification of the new capabilities and increased testing code coverage to meet MOOSE’s software quality standards. The MOOSE framework follows a strict software quality assurance plan to be Nuclear Quality Assurance, Level 1 compliant. The new multiphysics fusion blanket simulation capabilities are now held to the same standard. Thirdly, to demonstrate MOOSE’s new fusion blanket modeling capabilities, we performed a fully integrated, multiphysics simulation of a 3D solid ceramic breeder blanket design. This proof-of-concept simulation provides the temperature and tritium distribution across the blanket. In conclusion, the combined efforts towards software quality and the development of multiphysics coupling capabilities provide an effective and reliable framework for modeling solid ceramic fusion blankets using MOOSE.

modeling and simulation↗