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DOE OSTI2025

Development and Validation of Two-Phase Flow Models in MOOSE for Molten Salt Reactor Application

Two-phase flow in Molten Salt Reactors (MSRs) is important as it impacts reactivity evolution, reactor transient response, and the removal of species dissolved in the molten salt through gas phase transfer. Therefore, accurately predicting the gas distribution and the associated liquid-gas interface area in MSRs is essential for their design and operation. Recently, we integrated two new models into Idaho National Laboratory (INL)’s Multiphysics Object-Oriented Simulation Environment (MOOSE): a multi-D generalization of a mixture drift-flux model and a Euler-Euler model. The Euler-Euler model offers higher fidelity, while the mixture drift-flux model provides greater computational efficiency, which is typically preferred for modeling reactor transients. However, the mixture model's accuracy in capturing void distribution and interfacial area in MSRs still needs to be assessed. This article begins with a description of the mathematical framework for the two-phase models implemented in MOOSE. It then presents validation of these models against relevant experimental data. Finally, both models are applied to the Molten Salt Reactor Experiment case study, analyzing various operational conditions such as different rates of fission product volatilization and diverse cover gas entrainment scenarios at the reactor pump. The article concludes by assessing the suitability of both models for capturing the two-phase flow dynamics critical to MSR operations.

42 - ENGINEERING↗

DOE OSTI2024

A Multiphysics Multiscale Simulation Platform for Damage, Environmental Degradation, and Life Prediction of CMCs in Extreme Environments

This project successfully developed a multiphysics, multiscale computational framework to enhance the design and development of CMCs, with a focus on modeling highly nonlinear, time-dependent damage mechanisms and material degradation under extreme conditions, such as those experienced in turbine service environments. The project made significant advances in improving our understanding of progressive damage, oxidative degradation, and time-dependent inelastic deformation in CMCs, with particular attention to the role of uncertainties in predictions. Key outcomes include the integration of advanced material characterization, uncertainty quantification, and multiphysics constitutive models to predict the behavior of CMCs over their service life. A novel multiscale methodology was employed, which integrated microscale constituent behaviors with structural-scale responses, enabling the manufacturing defects in the microstructure that are prone to damage nucleation. Through the development of DL algorithms, the project advanced the prediction of damage initiation and crack propagation, taking into account the defect morphology and statistical variations across multiple scales. The framework was rigorously validated using thermomechanical experiments, which tested CMCs under various mechanical loadings at elevated temperatures, further enhancing the model's predictive capability. Overall, the research outcomes have provided a more accurate, reliable method for predicting CMC component life, significantly advancing material design, and improving component reliability in extreme environments. This work has strong implications for the optimization of turbine components and other high-performance applications where CMCs are used.

03 NATURAL GAS↗

DOE OSTI2025

Development and Validation of Two-Phase Flow Models in MOOSE and Application to Molten Salt Reactors

Two-phase flow in Molten Salt Reactors (MSRs) is important as it impacts reactivity evolution, reactor transient response, and the removal of species dissolved in the molten salt through gas phase transfer. Therefore, accurately predicting the gas distribution and the associated liquid-gas interface area in MSRs is essential for their design and operation. Recently, we integrated a new two-phase model into Idaho National Laboratory (INL)’s Multiphysics Object-Oriented Simulation Environment (MOOSE): a multi-D generalization of a mixture drift-flux model. It provides greater computational efficiency, which is typically preferred for modeling reactor transients. However, the mixture model’s accuracy in capturing void distribution and interfacial area in MSRs still needs to be assessed. This article begins with a description of the mathematical framework for the two-phase model implemented in MOOSE. It then presents validation of these models against relevant experimental data. Finally, the model is applied to the Molten Salt Reactor Experiment case study, analyzing various operational conditions such as different rates of fission product volatilization and diverse cover gas entrainment scenarios at the reactor pump. The article concludes by assessing the suitability of the mixture drift-flux model for capturing the two-phase flow dynamics critical to MSR operations

42 - ENGINEERING↗

DOE OSTI2024

Innovating the next generation of commercial smart building software

Nearly 30% of commercial building energy use is wasted due to equipment faults and HVAC controls problems. The result is increased emissions, compromised comfort and productivity, and less reliable coordination of building power needs with a clean grid. The energy impact alone represents $17 billion in potential savings. Today’s smart building software provides a robust solution to address these operational deficiencies. Energy management and information systems (EMIS) are saving up to 9% on average, with two-year paybacks. They are being incorporated into energy management processes, commissioning services, and utility programs. As effective as they are, two barriers prevent even deeper benefits; limited personnel to fix problems once they are identified, and the expense and time to manually implement changes in control systems. In partnership with the research community, the EMIS industry is developing new capabilities to overcome these barriers. Moving beyond siloed products for either fault detection and diagnostics, or optimal control, these new capabilities empower users to not only automatically identify faults, but also to push corrective action, and control improvements to their buildings. In this paper, several areas for enhancements are documented: ‘one-time’ correction of faults such as setpoints, schedules, and economizer lockouts; short-term active testing for automated proportional integral derivative (PID) loop tuning and functional testing; and continuous supervisory control for demand flexibility and year-round efficiency. Results are presented from a pair of partner implementations out of a dozen providers integrating these enhancements into their products, including field tests from across the country, and insights into operator acceptance and integration into operations and maintenance practices.

Casillas, Armando↗

DOE OSTI2025

Precise magnetic field mapping of the EMPHATIC Phase 1 magnet with COMSOL

A compact Halbach array magnet is used to measure the momentum of the secondary particles in EMPHATIC(Experiment to Measure the Production ofHadrons At a Test beam InChicagoland). Hall probe data was taken for the central cylindrical bore of the magnet and a field map was constructed. COMSOL Multiphysics® Software is used for modeling the magnet and constructing the corresponding magnetic field map. Here, we present a fitting approach where the hall probe data is used to determine a 1mm-spacing map of the entire volume of the magnet using COMSOL. The new map will allow for linear interpolation within the volume, and expand the map to outside the measurement volume, thus increasing the acceptance and precision of EMPHATIC's tracking system.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Thermal Analysis of a Polypropylene Capacitor for Resonant Tuning Networks in WPT Applications

This study presents the thermal analysis of polypropylene capacitors operating at high frequencies and high currents used in the resonant tuning networks for electric vehicle (EV) wireless charging systems. The thermal analysis and performance results of the CELEM polypropylene capacitors are presented at different currents for a polyphase wireless power transfer (WPT) system while the study can be expanded to other capacitors by different manufacturers. Thermal equivalent circuit of the capacitor is derived and required cold plate size and design calculations are conducted by modeling the polypropene capacitor in MATLAB. The polypropene capacitor's finite element analysis (FEA) model is developed using COMSOL Multiphysics simulation software, and the thermal characteristics and analysis of the capacitor are presented in this paper.

Aktas, Ahmet↗

DOE OSTI2021

Simple, Secure, Internet Delivery of MOOSE-based Applications

Application packaging and distribution are the final steps for delivering software to end-users; both are frequently neglected when creating scientific software. Commercial businesses rely on electronic distribution systems that have rendered disk drives obsolete. Still, national laboratories continue to rely heavily on removable media to distribute and limit access to controlled applications. With increasing concerns of unauthorized copying of sensitive applications, a modern distribution system that utilizes cryptographically secure communication and authentication protocols has been developed. This new distribution system will secure the chain of custody for nuclear software while simultaneously simplifying access to these tools. This report summarizes four primary advancements made toward the secure distribution of Nuclear Energy Advanced Modeling and Simulation (NEAMS)-developed, Multiphysics Object Oriented Simulation Environment (MOOSE)-based applications: application installation, package distribution, automated package building, and distribution of documentation. NEAMS is currently developing more than ten separate applications based on the open-source MOOSE Framework. Distribution of these applications has primarily been accomplished by distributing source code, with end-users compiling the applications themselves. This work created a mechanism where MOOSE applications can be installed in a similar way to any other software. This allows both administrators and end-users simplified access to runnable executables. With this new installation capability, it was then possible to rethink distribution. A new, secure capability for delivering MOOSE-based applications over the internet has been created. This system requires unique cryptographic tokens for authentication, greatly securing the custody chain for software. Once granted access, installation of any NEAMS code can be accomplished with these terminal commands: "conda install ncrc" "ncrc install ncrc-bison." After these two commands (and authenticating) the BISON application will be securely down- loaded from Idaho National Laboratory (INL)’s servers, installed, and ready to use. To enable this new distribution capability to be successful, the open-source Continuous Integration, Verification, Enhancement, and Testing (CIVET) Continuous Integration (CI) capability was augmented to add Continuous Delivery (CD). CD enables the automated building and packaging of MOOSE-based applications as they are modified by development teams, ensuring that our customers can obtain up-to-date versions of the software at any time. The need for instruction on how to use these applications was addressed through modifications to the MOOSE documentation system. The MooseDocs capability, which enables robust documentation of MOOSE-based applications, has been extended to allow both for the installation of documentation and the packaging of documentation with installed applications. Together, these enhancements form the core of a new, secure distribution mechanism for nuclear simulation tools. In concert with the Nuclear Computational Resource Center (NCRC), NEAMS- developed applications will now be straightforward to obtain securely.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2016

Extracting Damping Ratio from Dynamic Data and Numerical Solutions

There are many ways to extract damping parameters from data or models. This Technical Memorandum provides a quick reference for some of the more common approaches used in dynamics analysis. Described are six methods of extracting damping from data: the half-power method, logarithmic decrement (decay rate) method, an autocorrelation/power spectral density fitting method, a frequency response fitting method, a random decrement fitting method, and a newly developed half-quadratic gain method. Additionally, state-space models and finite element method modeling tools, such as COMSOL Multiphysics (COMSOL), provide a theoretical damping via complex frequency. Each method has its advantages which are briefly noted. There are also likely many other advanced techniques in extracting damping within the operational modal analysis discipline, where an input excitation is unknown; however, these approaches discussed here are objective, direct, and can be implemented in a consistent manner.

Casiano, M. J.↗

NASA NTRS2024

University of South Alabama: Evaluation of Using Heat Pipes to Cool Adsorbent Beds in AC-TSAC Systems

This report details the results of the research and work of undergraduate students at the University of South Alabama across the 2023-24 academic year. These results examine the use of heat pipes for air revitalization in space exploration and habitation units. The current mechanism for removing carbon dioxide in the International Space Station is the Carbon Dioxide Removal Assembly (CDRA), which involves 2 cooperating adsorbent beds that continuously adsorb and desorb carbon dioxide. Recently, NASA has investigated the use of air-cooled temperature swing adsorption compressors (AC-TSAC) to provide both adsorption and compression of CO 2 . To effectively adsorb and desorb CO 2 , the beds must operate across a range of temperatures and require efficient heating and cooling to reach the necessary operating temperatures. Heat pipes, which are fluid-filled rods that use a wicking mechanism to transfer heat, may provide one alternative approach to moving heat into and out of adsorption beds. To test the cooling efficiency of packed beds equipped with heat pipes, a packed bed was constructed to examine the amount of heat transferred with this technology. In addition to a physical apparatus, a model was built using COMSOL Multiphysics® to obtain an initial assessment of the effectiveness of using heat pipes for temperature control in porous adsorption beds.

T. Grant Glover↗

DOE OSTI2021

Initial Developments in Modeling Graphite Behavior

Graphite is used in High Temperature Reactor designs as a moderator, reflector and core material responsible for protecting the fuel and maintaining structural stability. From a safety perspective, it is imperative to be able to predict how graphite will behave under reactor operating conditions which may compromise the core’s structural integrity or fuel’s safety performance. The following report summarizes recent modeling work undertaken at Idaho National Laboratory which focuses on graphite degradation behavior. One phenomenon which is explored in this report and can cause significant degradation to graphite properties is oxidation. Oxidation behavior in graphite is highly temperature dependent. At low temperatures, oxygen can fully penetrate a component and cause a homogeneous damage profile. At high temperatures, only the graphite near the surface of a component is affected. Understanding and modeling this temperature dependence is essential to predicting graphite behavior. In this report, three graphite models are discussed. The first model is used to investigate strength loss after low temperature oxidation. It does this by generating an approximate graphite microstructure then determining the required load to cause crack propagation. It has been shown that the model reproduces the quasi brittle stress versus strain relationship observed in graphite. Strength loss results from the model are shown to match experimental values. The second model investigates strength loss under high temperature oxidation conditions. This model is more applicable to full scale graphite components where the oxidation damage is often inhomogeneous throughout a component. The third model computes stresses in graphite under reactor conditions. Specifically, the model incorporates the effect of creep, irradiation dose, thermal strains, and oxidation in order to predict internal stresses in a component. All of these models are implemented in the Multiphysics Object-Oriented Simulation Environment (MOOSE), an open source, parallel finite element framework.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1998

The Role of Multiphysics Simulation in Multidisciplinary Analysis

This article describes the applications of the Spectrum(Tm) Solver in Multidisciplinary Analysis (MDA). Spectrum, a multiphysics simulation software based on the finite element method, addresses compressible and incompressible fluid flow, structural, and thermal modeling as well as the interaction between these disciplines. Multiphysics simulation is based on a single computational framework for the modeling of multiple interacting physical phenomena. Interaction constraints are enforced in a fully-coupled manner using the augmented-Lagrangian method. Within the multiphysics framework, the finite element treatment of fluids is based on Galerkin-Least-Squares (GLS) method with discontinuity capturing operators. The arbitrary-Lagrangian-Eulerian method is utilized to account for deformable fluid domains. The finite element treatment of solids and structures is based on the Hu-Washizu variational principle. The multiphysics architecture lends itself naturally to high-performance parallel computing. Aeroelastic, propulsion, thermal management and manufacturing applications are presented.

Rifai, Steven M.↗

DOE OSTI2025

Development and Validation of MALAMUTE model for Electric Field Assisted Sintering of Structural Materials

Fusion power plant designs feature extreme material performance requirements for structural material candidates. In addition to conventional alloys, more advanced composites and oxide dispersion strengthened (ODS) alloys are being explored, however, achieving the desired microstructures to maximize performance using traditional manufacturing methods can be challenging. The advanced manufacturing (AM) electric field-assisted sintering (EFAS) technique offers improved control over the final microstructure through higher heating and cooling rates and moderate pressures. Modeling and simulation tools show promise in elucidating the process-structure-property-performance (PSPP) correlation for AM-produced parts, including the EFAS process. An inherently multiscale process, the EFAS technique aligns well with the multiscale modeling capability of the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE)[cite]. We present here an electro-thermo-mechanical approach to modeling the EFAS process using the MOOSE Application Library for Advanced Manufacturing UTilitiEs (MALAMUTE) code. Prediction of the field and gradient distributions across the EFAS tooling is required to accurately describe the conditions for the lower-scale microstructural evolution models. In this work we present the MALAMUTE model developed to predict the electrical potential, temperature, and mechanical stress distribution across the EFAS graphite tooling and part at the larger engineering-scale. Validation of the MALAMUTE engineering-scale model is completed using data from experimental densification and pre-densified runs of iron powder via EFAS at 1000oC. These runs were conducted using a Thermal Technology DCS-5 EFAS system. Data collected during the experiment runs include the direct current (DC) supplied to the graphite tooling, the temperature of the graphite tooling as measured with a pyrometer, and the force applied to the top of the graphite tooling stack, and the data were recorded every 10 seconds. Our validation approach used the current and force data from the EFAS run as boundary condition inputs to the MAMALUTE simulation; the temperature data were used to evaluate the MALAMUTE EFAS model prediction. Results of the MALAMUTE simulations are employed to connect the external pyrometer temperature measurement to the temperature profile across the part undergoing consolidation. We investigate the impact of material property variation and mesh deformation on the temperature profile as predicted by MALAMUTE. We conclude by highlighting projects where the MALAMUTE EFAS modeling and simulation capabilities will be used to assist experimental design.

36 - MATERIALS SCIENCE↗

DOE OSTI2025

Development and Validation of Two-Phase Flow Models in MOOSE and Application to Molten Salt Reactors

42 - ENGINEERING↗

DOE OSTI2024

Predicting PEMFC performance from a volumetric image of catalyst layer structure using pore network modeling

Not Available

Sadeghi, Mohammad Amin↗

DOE OSTI2019

A coupled thermo‐chemo‐mechanical reduced‐order multiscale model for predicting process‐induced distortions, residual stresses, and strength

Summary We study residual stresses and part distortion induced by a manufacturing process of a polymer matrix composite and its effect on the component strength. Unlike most of the thermo‐chemo‐mechanical models in the literature where governing multiphysics equations are directly formulated on the macroscale, we present a multiscale‐multiphysics approach. To address the enormous computational complexity involved, a reduced‐order homogenization was originally developed for a single physics problem is employed. The proposed reduced‐order two‐scale thermo‐chemo‐mechanical model has been validated for predicting part distortion beam strength in three‐point bending test. It is shown that while macroscopic stresses are relatively low, and therefore often ignored in practice, stresses at the scale of microconstituents are significant and may have an effect on the overall composite component strength.

Yuan, Zifeng↗

NASA NTRS2016

Using Simulation to Analyze Acoustic Environments

One of the main projects that was worked on this semester was creating an acoustic model for the Advanced Space Suit in Comsol Multiphysics. The geometry tools built into the software were used to create an accurate model of the helmet and upper torso of the suit. After running the simulation, plots of the sound pressure level within the suit were produced, as seen below in Figure 1. These plots show significant nulls which should be avoided when placing microphones inside the suit. In the future, this model can be easily adapted to changes in the suit design to determine optimal microphone placements and other acoustic properties. Another major project was creating an acoustic diverter that will potentially be used to route audio into the Space Station's Node 1. The concept of the project was to create geometry to divert sound from a neighboring module, the US Lab, into Node 1. By doing this, no new audio equipment would need to be installed in Node 1. After creating an initial design for the diverter, analysis was performed in Comsol in order to determine how changes in geometry would affect acoustic performance, as shown in Figure 2. These results were used to produce a physical prototype diverter on a 3D printer. With the physical prototype, testing was conducted in an anechoic chamber to determine the true effectiveness of the design, as seen in Figure 3. The results from this testing have been compared to the Comsol simulation results to analyze how closely the Comsol results are to real-world performance. While the Comsol results do not seem to closely resemble the real world performance, this testing has provided valuable insight into how much trust can be placed in the results of Comsol simulations. A final project that was worked on during this tour was the Audio Interface Unit (AIU) design for the Orion program. The AIU is a small device that will be used for as an audio communication device both during launch and on-orbit. The unit will have functions including push-to-talk buttons and volume control. With this project, an existing design was modified based on prior feedback that had been received. With the modified design, I created a 3D printed prototype, shown in Figure 4, which was then used in suited evaluations performed by crew members. The feedback received from those evaluations will be utilized to help create the best possible Orion AIU. As a whole, a number of different interesting engineering projects were worked on over the course of this semester. For many of these projects, acoustic simulations provided valuable insight into how different environments would respond to sound. While work is still underway to verify the results of these simulations, the results are fascinating because of the interesting ways that sound waves interact with the environment. Going forward, it will be interesting to see how closely these results can be matched by real-world test data.

Wood, Eric J.↗

DOE OSTI2024

Verification and Validation Activities of Molten Salt Reactors Multiphysics Coupling Schemes at Idaho National Laboratory

This paper presents the latest verification and validation activities in molten salt reactor modeling and simulation performed at Idaho National Laboratory. Multiphysics solutions are obtained by coupling the neutronics code Griffin, the thermal hydraulics code Pronghorn, and the system analysis code SAM, under the MOOSE framework. We present various multiphysics coupling schemes with these codes for molten salt reactor problems and provide verification and validation results. First, we present verification test results of the Griffin-Pronghorn coupled scheme for the CNRS benchmark. Then validation test results are presented for the Griffin-SAM coupled scheme for the pump startup and coast down transients of the Molten Salt Reactor Experiment. Finally, the Griffin-Pronghorn-SAM coupled scheme is demonstrated for the Molten Salt Reactor Experiment reactivity insertion transient using a domain-overlapping coupling algorithm between Pronghorn and SAM. The results of these various coupling schemes demonstrate the ability to capture the effect of fuel flow and the various feedback mechanisms important to MSRs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Selection of Sampling and Surrogate Modeling Methods for State-Point Evaluations of an AGN-201M Reactor

Nuclear reactor digital twins (DTs) have been proposed for use as a safeguards technology to efficiently monitor new and novel reactors as they come online. A safeguards DT needs to be capable of detecting misuse and diversion as they occur, requiring physics models to be accurate and efficient. Mathematical surrogate models are capable of achieving the necessary efficiency and can largely maintain the accuracy of higher-order models given a quality training sample. The Multiphysics Object-Oriented Simulation Environment (MOOSE) code framework is specifically equipped to generate training samples and create surrogate models using full-order reactor physics models. Utilizing an operational AGN-201M reactor’s specifications, two surrogate types were trained on samples of variable size, and using Cartesian products, Latin hypercube sampling, and quadrature sampling, each was compared and evaluated on accuracy when compared to a full-order Monte Carlo model. Both surrogate types were able to capture reactivity changes within 0.05 $ of the Monte Carlo model while reducing the computation costs by eight orders of magnitude.

MOOSE↗