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DOE OSTI2024

The MOOSE Thermal Hydraulics Module

The Multiphysics Object-Oriented Simulation Environment (MOOSE) is an open-source object-oriented finite element framework written in C++ (Lindsay et al., 2022). The Thermal Hydraulics Module (THM) is an optional MOOSE physics module that provides capabilities for studying thermal hydraulic systems. Its core capability lies in assembling a network of coupled components, for instance, pipes, junctions, and valves. THM provides several new systems to MOOSE to enable and facilitate thermal hydraulic simulations, most notably the Components system, which provides a higher-level syntax to MOOSE’s lower-level objects. This system is extensible by the user, but the current library primarily includes components based on a one-dimensional, single-phase, variable-area, compressible flow model, as well as heat conduction.

42 ENGINEERING↗

DOE OSTI2023

Multiscale Ecosystem for solving Maxwell-Schrodinger equations of open quantum systems (OpenMS)

Light-matter interactions play an important role in many branches of physics, chemistry, energy, and materials science. In the strong coupling regime, light-matter interactions are able to tune the materials properties via the formation of new quasiparticles, such as plasmons and polaritons. However, theoretical and numerical modeling of the light-matter interaction-mediated processes remain a big challenge because light-matter interactions are fundamentally multiscale and multiphysics problems involving multiple interactions between electrons, nuclei, and photons at different time/length scales. In the current community, light-matter interactions were treated at different levels of theoretical complexity in quantum chemistry and quantum optics. In quantum optics or quantum photonics, the matter is usually simplified as a few-level system, and the light is treated quantum-mechanically. On the other hand, quantum chemistry explores first-principles methods, including both single-particle and many-body-based techniques, to describe the electronic properties of matter in detail. However, light is usually prescribed as a classical electromagnetic field, and the light-matter interaction is taken into account as an external potential via classical approximations. This software is designed to fill current modeling shortcomings by delivering a first-ever scalable multiscale platform for simulating light-matter interactions in realistic electromagnetic environments. The software solves Maxwell and Schrodinger equations self-consistent on the heterogeneous platforms. It implements HF/DFT, TDDFT, and coupled-cluster counterparts for light-matter interactions and adopts modular programming to offload massively parallel algorithms on a large number of CPU/GPUs.

Zhang, Yu↗

DOE OSTI2026

Multiphysics Analyses of the Protected and Unprotected Loss of Forced Cooling Accidents in the HTR-PM

Here, we present the multiphysics simulation results for the protected pressurized and depressurized loss of forced cooling (PLOFC and DLOFC) events in the High-Temperature gas-cooled Reactor--Pebble-bed Module (HTR-PM) equilibrium core using the Griffin-Pronghorn coupled code system. Additionally, this paper discusses the strategy for estimating the spontaneous fission neutron source needed for unprotected events and re-criticality calculations. The solutions of the protected PLOFC and DLOFC events were verified against similar solutions obtained for temperature evolutions from the open literature. Both the average and maximum pebble surface temperatures behaved as expected during the DLOFC and remained below 1800 K. The PLOFC results are highly dependent on the ability to resolve the natural circulation in the core, which is impacted by the mesh resolution in Pronghorn. Furthermore, we present the results of the unprotected DLOFC transient to predict the timing of the re-criticality event, which occurred 47 hours after the onset of the transient, and the new steady-state power of 1.3 MW.

42 - ENGINEERING↗

DOE OSTI2020

Engineering scale molten salt corrosion and chemistry code development

A new engineering scale transport code Mole is described. Mole was developed using the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework for solving species transport problems in flowing liquid. It is applied to leaching of Cr from alloys into molten salts part a of a multi-physics, multi-scale approach for coupling chemistry with mechanical behavior modeling. Demonstrations of the leaching phenomenon were benchmarked to experimental data provided by the Molten Salt Reactor campaign and the results are presented.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2021

Effect of Mechanical Deformation on the Dielectric Electric Field in Dynamic Umbilical Cables

Wave energy converter (WEC) systems have unique umbilical cable design requirements compared to conventional marine designs. Due to their dynamic nature, WEC umbilical cables are required to handle increased loads and larger motions over longer deployment scenarios. However, the life expectancy of dynamic umbilical cables is predominantly analyzed for mechanical fatigue, with little consideration given to the effect of mechanical stress on the response of the dielectric as it has been previously assumed that the non-polymeric components will fail prior to the polymeric components. In this work, we explore the effects of mechanical bending on the concentration of the electric field in the insulation of a conceptual three-core dynamic umbilical cable to determine the limiting requirements for life expectancy. A conceptual industrial schematic of a medium voltage dynamic umbilical cable was used as the basis for the WEC system under study. Simulations on the dynamic umbilical cable were performed using COMSOL Multiphysics®. Mechanical loads up to the calculated limit (2.64 m minimum bend radius or 388 kN transverse load) were applied to the dynamic umbilical in a step-wise fashion with one end of the umbilical cable fixed. One-way coupling in three-dimensions was conducted by first determining the engineering strains, then using the engineering strains as the initial condition for determination of the Green-Lagrange strains, and lastly calculating the electric field in the deformed dielectric. Based upon the input load, deformation of the dielectric at the minimum bend radius produced an increase in the electric field of more than 12% when compared to the undeformed umbilical cable, which may lead to dielectric breakdown of the insulation prior to mechanical failure of the umbilical cable.

Spencer, Mychal P.↗

DOE OSTI2023

Effects of transient fission gas release on rod balloon burst behavior during a loss-of-coolant accident

The US nuclear energy industry is investigating strategies to increase the reactor operating cycle to 24 months, which would result in rod average burnups exceeding the current limit of 62 GWd/tU. To support this goal, multiphysics simulations tools and methodologies are being developed to predict the effects of this change during transient events such as loss-of-coolant accidents (LOCAs). In this work, two cladding burst correlations were used to predict cladding failure. Here, these were coupled with three transient fission gas release (tFGR) models and were implemented in the BISON fuel performance code to quantify any changes in cladding burst behavior during a large-break LOCA. First, a simple linear model was used to perform a sensitivity analysis of a single fuel rod. Second, a tFGR model available in BISON was applied to 281 fuel rods throughout the core. The third model examined was an empirical correlation based on data from the literature.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

MOOSE-Workbench integration and MOOSE meshing capability enhancements to facilitate inputs and outputs for multiphysics modeling

The Multiphysics Object-Oriented Simulation Environment (MOOSE) is an open-source framework that supports many of the US Department of Energy’s (DOE’s) Nuclear Energy Advanced Modeling and Simulation (NEAMS) technical areas (TA). These TAs develop and use NEAMS physics and coupling modules in multiple ways to enable the research and development of complex physics models. In addition to the MOOSE framework, the NEAMS Workbench user interface provides a common analysis environment with user-interaction accelerators that streamline the tasks of model creation, review, execution, and out put inspection. In FY 2024, objectives were realized in the MOOSE framework application development support and user-oriented improvements. Application development improvements support both developers and users with an expanded Reactor Module and Mesh System, stateful material property support for mortar contact, and customizable convergence criteria. Additionally, new user-oriented features were implemented in the MOOSE framework language server, including autocompletion snippets, definition from source and find reference navigations, and syntax overrides. Lastly, improvements were made to the input interpreter necessary to support the MOOSE language server and the NEAMS Workbench so that they can interact with syntactically incomplete user inputs. These improvements and more were intended to address stakeholder feedback and improve developer and user ability to conduct advanced nuclear energy modeling and simulation in support of DOE and industry needs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

MOOSE–Workbench Integration and MOOSE Meshing Capability Enhancements to Facilitate Inputs and Outputs for Multiphysics Modeling

The Multiphysics Object-Oriented Simulation Environment (MOOSE) is an open-source framework that supports many of the US Department of Energy’s (DOE’s) Nuclear Energy Advanced Modeling and Simulation (NEAMS) technical areas (TA). These TAs develop and use NEAMS physics and coupling modules in multiple ways to enable the research and development of complex physics models. In addition to the MOOSE framework, the NEAMS Workbench user interface provides a common analysis environment with user-interaction accelerators that streamline the tasks of model creation, review, execution, and output inspection. In FY 2024, objectives were realized in the MOOSE framework application development support and user-oriented improvements. Application development improvements support both developers and users with an expanded Reactor Module and Mesh System, stateful material property support for mortar contact, and customizable convergence criteria. Additionally, new user-oriented features were implemented in the MOOSE framework language server, including autocompletion snippets, definition from source and find reference navigations, and syntax overrides. Lastly, improvements were made to the input interpreter necessary to support the MOOSE language server and the NEAMS Workbench so that they can interact with syntactically incomplete user inputs. These improvements and more were intended to address stakeholder feedback and improve developer and user ability to conduct advanced nuclear energy modeling and simulation in support of DOE and industry needs.

97 - MATHEMATICS AND COMPUTING↗

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

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

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Multiphysics Simulations of MSRE with NEAMS Thermal Hydraulics Tools

This report documents the benchmarks being developed and simulations performed using tools and codes developed under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, utilizing MSRE experimental data. In FY23, three main work scopes were investigated under the NEAMS MSR work package at ANL. The first scope investigated the Griffin-SAM coupling model for simulating the pump startup transient experiment of MSRE. The analyses start with a simple model (single-channel, single-lattice), gradually adding more details (multi-channel, full-core) into the model. The results show that the reactivity loss curve is very sensitive to the axial boundary conditions and the radial core discretization. The simple model can predict a similar reactivity trend as that of the more sophisticated model, which is likely due to error cancellation. Accurately modeling the axial boundary condition may further improve the reactivity trend but would require significant efforts to generate the mesh of the MSRE inlet and upper plenum. The core channel radial discretization for the Griffin-SAM coupled model also depends on the flow distribution. Given the complex geometry in the inlet plenum, the flow distribution needed to be calculated from CFD analysis, which was performed using the NekRS code. This analysis employed a MSRE CAD model developed by Copenhagen Atomics. The CAD model was disassembled to keep the inlet plenum region only, which was subsequently cleaned and modified so that the mesh generated is under the memory limit. The results are merged to a few radial regions to show that the flow rate is highest in the central region. This would be useful for future improvement of the Griffin-SAM coupling model of the MSRE core. The last task investigated is tritium transport modeling using the standalone SAM code. This task aimed to initiate the effort to demonstrate and validate the tritium transport model implemented in SAM. The preliminary investigation employed an MSRE model consisting of the primary loop. Three tritium transport pathways were examined including the retention in the graphite, the permeation through the HX tube wall, and the removal from the off-gas system. The results compare well with the MSRE data, but improvements are still needed on the initial conditions (i.e., the present state may not have reached equilibrium), the boundary conditions, the off-gas system modeling, and a better numerical strategy to reach the equilibrium state.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Grooved electrodes for high-power-density fuel cells

Proton exchange membrane fuel cells (PEMFCs) are leading candidates to decarbonize the transport sector, but widespread deployment will require improvements in lifetime, fuel economy and cost. Here we present the grooved electrode, an alternative electrode structure that enhances PEMFC performance and durability by coupling high ionomer (ion-conducting binder) content for improved H + transport with grooves for rapid O 2 transport. Grooved electrodes provide up to 50% higher performance than state-of-the-art conventional electrodes under standard operating conditions. Fuel cell diagnostics combined with multiphysics modelling demonstrate that grooved electrodes provide facile O 2 transport despite their high ionomer content, enabling improved reaction rate uniformity. Grooved electrodes also provide improved durability, with less performance loss after carbon corrosion compared with baseline electrodes. Machine learning analysis demonstrates the potential to further optimize grooved structures for next-generation PEMFCs with enhanced performance and durability, enabling smaller and cheaper fuel cell stacks with higher fuel efficiency.

25 ENERGY STORAGE↗

DOE OSTI2020

Continued Validation Studies using the MOOSE Framework for Plasma Simulation with Electromagnetics

Resources and tools for the modeling and simulation of low-temperature plasma (LTP) discharges are increasingly vital to progress in the field in order to properly characterize and study complex source designs and plasma chemistries beyond the scope of traditional diagnostics. Open-source software provides powerful platforms for this work and can enable community-driven LTP R&D. Within the Multiphysics Object-Oriented Simulation Environment (MOOSE) open-source framework [1], capabilities have been demonstrated in the areas of plasma fluids (Zapdos [2]), plasma chemistry (CRANE [3]), and general electromagnetic wave theory (Electromagnetic Library for Kinetics & fluids [ELK] [4]). ELK has since been coupled to Zapdos/CRANE to enable fully coupled electromagnetic plasma simulations. This talk will detail the continued validation efforts and discuss Zapdos-ELK-CRANE code coupling with various-low temperature plasma sources. The impact of fully coupled electromagnetics on process parameters (e.g., temperature and electron/ion energy) versus an electrostatic description will also be discussed. [1] Permann et al., SoftwareX, 11 (2020) 100430. [2] Lindsay et al., J. Phys. D: Appl. Phys. 49 (2016) 235204. [3] Keniley et al., Talk, GEC Session DT3.00002 (2019). [4] Icenhour et al., Talk, GEC Session RR1.00006 (2019). Acknowledgements: INL Graduate Fellowship Program, NSF SI2 Grant 1740300, U.S. Dept. of Energy Office of Science Graduate Student Research Program

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Establishing a process-structure-property-performance framework for SLS additive manufacturing through integrated multiscale modeling

This study presents a comprehensive suite of high-fidelity computational models that integrate multiscale and multiphysics simulations to capture the full Selective Laser Sintering (SLS) additive manufacturing process—from initial melting and solidification to mechanical response under external loads. Process simulations are linked with mechanical analysis through Representative Volume Elements (RVEs), establishing a process-structure–property-performance framework. The interaction between laser light and polyamide 12 (PA12) powder is modeled, accounting for laser characteristics and the optical, thermal, and geometrical properties of the powder. The heat source is incorporated into a heat transfer model, coupled with crystallization kinetics and densification models to predict material density and crystallinity. The porosity distribution from the densification model and crystallinity interpolated from experimental data are used to construct the RVEs. A multi-mechanism constitutive model is then calibrated using mechanical tests to predict the stress–strain response. Simulation results show good agreement with experimental data in terms of porosity, crystallinity, and mechanical performance when sufficient laser power (62 W or higher) is used. This research supports the inverse design of 3D-printed structures by introducing a high-fidelity framework that combines multiscale and multiphysics modeling with experimental calibration for predictive and performance-driven additive manufacturing.

SLS↗

DOE OSTI2023

Corrosion of Al-Fe self-pierce riveting joints with multiphysics-based modeling and experiments

Self-piercing riveting (SPR) is an extensively used joining technique to assemble dissimilar materials. However, this joining of the dissimilar materials can generate galvanic/crevice corrosion, which can drastically impact the mechanical properties and the service life of the joint. In this study, a multiphysics-based hybrid modeling approach is developed for the galvanic corrosion of the Al-Fe SPR joints, which can consider the corrosion initiation and corrosion evaluation jointly. Experimental studies are first performed to extract information regarding the corrosion initiation sites, corrosion evolution and overall corrosion induced material loss in SPR joints. The initiation information is then passed onto the multiphysics FE model thus making it a hybrid model. This model can help understand the influences of metal microstructure on the corrosion propagation while the morphology changes can also be analyzed. Using the developed hybrid modeling approach, thorough parametric studies can be performed to explore the coupled impacts of multiple corrosion factors on the corrosion behavior of the joints. The developed hybrid model is validated on the prediction of galvanic corrosion for the SPR joints by comparing with experimental observations.

36 MATERIALS SCIENCE↗

DOE OSTI2026

FY26 Progress on Demonstration of a Multiphysics Steady State Capability for Modeling Core Radial Expansion in SFRs

Under the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism in liquid metal-cooled fast reactors and involves multiphysics effects including radiation transport, fluid flow, heat transfer, and mechanical response to temperature and flux gradients. This report summarizes recent progress on developing a multiphysics, MOOSE-based workflow to predict core bowing and associated reactivity feedback. Significant new capabilities in the reactor physics code Griffin - sodium backfill and pin power reconstruction for deformed geometries - were applied in this effort. This year’s work included verification, code comparisons, sensitivity studies, and coupled demonstrations that advance the state of MOOSE-based core bowing workflow. Griffin’s sodium backfill capability was verified by demonstrating that its automated treatment of geometry expansion and material-density updates reproduces manual calculations exactly, confirming solid mass conservation and proper coolant backfilling in expanded geometries. Reconstructed pin powers were compared for Griffin’s ductheterogeneous and ring-heterogeneous treatments in single-, seven-, and nineteen-assembly cases, with best agreement observed in lower-leakage configurations and the duct-heterogeneous approach offering substantially lower computational cost. Thermal-hydraulic sensitivity sensitivities showed that MOOSE SCM, SAM, and CFD are expected to produce similar deformation predictions despite variances in their temperature predictions, and that explicit treatment of inter-assembly flow becomes increasingly important as gap flow rate increases. Finally, coupled demonstrations on small multi-assembly configurations using Griffin, MOOSE Solid Mechanics, MOOSE SCM, and Heat Conduction produced physically consistent reactivity feedback from thermal expansion and bowing. The coupled demonstrations simulated grid plate expansion as well as resultant core bowing at full power conditions. Simplifications were made in current workflow, namely the assumption of instantaneous full power conditions following hot zero power, and pre-expanding the Griffin geometry axially due to lack of an axial fuel pin expansion model and temperature feedback to Griffin.

Wozniak, Nicholas↗

DOE OSTI2025

Recent Improvements in Pronghorn for Advanced Reactor Modeling

Pronghorn is a thermal-hydraulics computational tool developed using the Idaho National Laboratory's Multiphysics Object-Oriented Simulation Environment (MOOSE). It is designed to support Computational Fluid Dynamics (CFD) modeling, ranging from subchannel and porous media analysis to Reynolds Averaged Navier-Stokes (RANS) turbulence modeling. As an integral part of the MOOSE-based suite of tools, Pronghorn seamlessly couples with other MOOSE-based applications to simulate a variety of physical phenomena. This article highlights recent significant enhancements to Pronghorn's CFD modeling capabilities and demonstrates their application to advanced nuclear reactor designs. The recent improvements in Pronghorn primarily focus on modifications to its turbulence modeling capabilities, near-wall corrections and numerical schemes. In terms of turbulence modeling, the two-equation $k-\epsilon$ and $k-\omega$ SST models have been implemented and validated with both equilibrium and non-equilibrium wall treatments. Additionally, corrections for wall roughness, and curvature, and wall-channeling in pebble beds have been introduced in the near-wall modeling. These developments enable more accurate simulations of advanced nuclear reactors. Two case studies are presented in this work: a pool-type Molten Chloride Reactor and a salt-cooled Pebble-Bed High Temperature Reactor. In both cases, the previous models in Pronghorn are compared with the new implementations, demonstrating the improved accuracy achieved with the updated models.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

NEAMS-Multiphysics MOOSE End Year Framework Activities FY20

The Multiphysics Object Oriented Simulation Environment (MOOSE) is a general finite element package meant for high performance solution of multiphysics problems in science and engineering. In this report, we present additions and enhancements to MOOSE funded by the Nuclear Engineering Advanced Modeling and Simulation (NEAMS) program. NEAMS-funded MOOSE framework library improvements include: expansion of support for multi-level multi-application restart; enhancement of coupling between native MOOSE applications and external libraries; addition of a sparse automatic differentiation (AD) container enabling non-local degree of freedom coupling; block-specific quadrature rules; further development of an eigenvalue executioner; faster setup of periodic boundary conditions; and creation of a mesh meta-data system streamlining simulation startup. Besides developing the framework library, NEAMS funds were used to overhaul a swath of important MOOSE infrastructure in order to substantially improve user experience. These critical infrastructure changes included adapting MOOSE to python 3, improving the test harness to catch race conditions, and most importantly transitioning MOOSE to use Conda, a globally known packaging system, that greatly eases software adoption.

97 MATHEMATICS AND COMPUTING↗