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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2025

MOOSE Web Server Interface: A Message-based External Interface for Multiphysics Simulations

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a C++ toolkit designed to streamline the development of finite element and finite volume applications. It offers an interface for input-based coupling of these applications to create multiscale, multiphysics models. We introduce a new capability that enables external applications to integrate with MOOSE-based applications in situ via a web server using HTTP requests. An example of this integration is provided, where a MOOSE thermal-fluids solve has a boundary condition that is driven by an external Python application. Additionally, the coupling of the Python-based OpenMC depletion solver with the Cardinal application is demonstrated. A multiphysics model of a pressurized water reactor, incorporating neutronics, heat conduction, thermal-fluids, and depletion, is presented to showcase this new Cardinal capability that is enabled by the MOOSE web server capability.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

MOOSE Web Server Interface: A Message-based External Interface for Multiphysics Simulations

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a C++ toolkit designed to streamline the development of finite element and finite volume applications. It offers an interface for input-based coupling of these applications to create multiscale, multiphysics models. We introduce a new capability that enables external applications to integrate with MOOSE-based applications in situ via a web server using HTTP requests. An example of this integration is provided, where a MOOSE thermal-fluids solve has a boundary condition that is driven by an external Python application. Additionally, the coupling of the Python-based OpenMC depletion solver with the Cardinal application is demonstrated. A multiphysics model of a pressurized water reactor, incorporating neutronics, heat conduction, thermal-fluids, and depletion, is presented to showcase this new Cardinal capability that is enabled by the MOOSE web server capability.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Computational Modeling of Graphite Degradation due to Molten Salt Infiltration and Wear

Molten-salt reactors (MSRs) represent a promising next-generation reactor design, with graphite serving as a moderator and/or reflector in several designs. However, due to limited experimental data and operational experience, a technical understanding of the structural integrity of graphite in molten salt environments remains incomplete. This report presents a modeling-based evaluation of graphite degradation in MSR environments, focusing on the effects of salt infiltration in fuel salt-based designs and surface wear in pebble bed reactor designs. The objective of this study is to enhance understanding of the structural integrity challenges posed by these degradation mechanisms and to provide a framework for assessing graphite behavior in MSRs. The first part of the report investigates the phenomenon of molten salt infiltration into graphite. This infiltration occurs when molten salt permeates the interconnected pore structure of the graphite moderator, driven by factors such as pressure differentials and the physical properties of both the salt and graphite. The infiltration process is influenced by characteristics of the pore structure, viscosity of the molten salt, and the interfacial energies between the graphite, salt, and the atmosphere within the graphite pore. Utilizing a coupled multiphysics modeling approach with Grizzly software, the study evaluates the stress induced by internal heat sources due to infiltration, which can lead to structural concerns. This evaluation is crucial for understanding how infiltration affects the mechanical integrity of graphite components in MSRs. The study considers the Molten-Salt Reactor Experiment (MSRE) graphite stringer geometry due to the availability of relevant data. Through detailed finite element analysis, the study examines stress distributions at varying infiltration percentages, revealing that stress levels increase with higher amounts of infiltration. Rare-event simulations, using the parallel subset simulation (PSS) framework, further quantify the failure probabilities under input uncertainties, with a user-specified failure metric. The PSS framework also identifies critical input parameters that significantly affect the stress values, including infiltration amount, thermal conductivity, and power density. Additionally, considering realistic reactor scenarios, the analysis was performed to account for the combined effects of radiation and infiltration, and modeling strategies on how to analyze new reactor designs or new graphite grades are discussed. The second part of the report focuses on wear mechanisms in pebble bed-based MSRs. As graphite fuel pebbles interact with the graphite reflector block, wear can result in material loss and the formation of surface defects, which may act as stress concentrators. A similar multiphysics modeling framework is employed to assess the impact of wear on the structural integrity of graphite components. This study considers a generic fluoride-cooled high-temperature reactor (gFHR) design due to the availability of comprehensive data. Worst-case scenario dimensions of the reflector blocks were analyzed under thermal and radiation conditions. Subsequently, wear in the form of idealized pits and grooves is modeled on the inner surface of the graphite block, with the maximum stress from previous simulations. The simulations show that groove-type defects are more detrimental than pits, leading to higher stress concentrations. Considering worst-case simulation scenarios and experimental wear rates, it was determined that the formation of a surface defect critical enough to affect the stress may not be possible in a gFHR design. Overall, the findings of this research contribute to the development of robust modeling tools for predicting graphite behavior under various operational conditions in MSRs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Kernel Enriched Meshfree Multiphysics Degradation Modeling of Energy Storage Materials

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and ultimately diminishing performance and service life. With microstructural images supplied by the National Laboratory of the Rockies (NLR), pixel-based meshfree model construction by the reproducing kernel particle method (RKPM) is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. The first kernel enrichment discussed will be the interface modified reproducing kernel (IM-RK) [1, 2], constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The IM-RK is especially useful for areas in which a known discontinuity-type is expected a priori. The second kernel enrichment to be discussed is a neural network-enhanced reproducing kernel (NN-RK) [3, 4], which is introduced to effectively model non-obvious damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RK is additionally used to inform how crack opening and closure in turn affect the electro-chemo-mechanical responses in the material microstructure. References: [1] Wang, Y., Baek, J., Tang, Y. et al. "Support vector machine guided reproducing kernel particle method for image-based modeling of microstructures," Comput Mech 73, 907-942 (2024). https://doi.org/10.1007/s00466-023-02394-9. [2] Susuki, K., Allen, J. & Chen, J. S.. "Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method," Engineering with Computers (2024). https://doi.org/10.1007/s00366-024-02016-9. [3] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, 4422-4454 (2022). https://doi.org/10.1002/nme.7040.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Multiphysics Degradation Modeling of Energy Storage Materials via RKPM with a Neural Network-Enhancement

In energy storage materials, strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking during charge/discharge cycling, resulting in reduced performance and service life. A coupled electro-chemo-mechanical reproducing kernel particle method (RKPM) formulation is developed, and a patch-test is formulated to certify optimal convergence of the proposed RKPM method for the coupled physics system. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), pixel-based model construction by RKPM is then used to represent the complex material microstructures for modeling the coupled physics of these systems. Further, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1, 2] is introduced to effectively model damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. Reference: [1] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, pp 4422-4454, https://doi.org/10.1002/nme.7040, 2022. [2] Baek, J., Chen, J. S., "A Neural Network-Based Enrichment of Reproducing Kernel Approximation for Modeling Brittle Fracture", Computer Methods in Applied Mechanics and Engineering Vol. 410, 116590, 2024.

electro-chemo-mechanical coupling↗
DOE OSTI2024

Leveraging a Neural Network-Enhanced Reproducing Kernel Particle Method for Multiphysics Degradation Modeling of Energy Storage Materials

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and resulting in reduced performance and service life. A coupled electro-chemo-mechanical reproducing kernel particle method (RKPM) formulation has been developed to analyze this system. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), pixel-based model construction by RKPM is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. Here, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1, 2] is introduced to effectively model damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RKPM is additionally used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure. Reference: [1] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, pp 4422-4454, https://doi.org/10.1002/nme.7040, 2022. [2] Baek, J., Chen, J. S., "A Neural Network-Based Enrichment of Reproducing Kernel Approximation for Modeling Brittle Fracture", Computer Methods in Applied Mechanics and Engineering Vol. 410, 116590, 2024.

degradation↗
DOE OSTI2024

Initial Demonstration of New Griffin Technologies for Simulating the Running-In Phase of Pebble Bed Reactors

Griffin is a reactor multiphysics modeling application based on MOOSE (Multiphysics Object-Oriented Simulation Environment) and specifically targeting transient modeling of advanced reactors. Griffin has been used recently to model pebble-bed reactors for the Nuclear Regulatory Commission (NRC) Office of Nuclear Regulatory Research and the Advanced Reactor Technology program. This modeling work has focused thus far on the direct calculation of equilibrium cores. This report documents an initial demonstration of a new running-in simulation capability. The new running-in capability is verified using the existing direct equilibrium core calculation capability. A simplified pebble-bed reactor model is then used to demonstrate the running-in simulation capability. This demonstration shows that Griffin is able to simulate years of operation during the running-in phase efficiently with each depletion step taking only several seconds. Two new technologies are also presented in this report which have been developed in Griffin that will be essential for improved accuracy both of the direct equilibrium core computation and the new running-in simulation capability. The first technology is an online cross section generation capability specifically targeted for pebble-bed reactors. This will improve the accuracy of the depletion calculation as the cross sections are generated at the exact core status. This also avoids the difficult step of pre-generating a separate standalone multigroup cross section set. Secondly, a newly implemented discretization for discontinuous finite element method (DFEM) SN transport in cylindrical (RZ) coordinates, which can be solved efficiently using the existing SN sweep solver, is discussed and some results are shown demonstrating the usefulness of the additional accuracy transport provides over a diffusion approximation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

New Developments of MOOSE/FENIX Capabilities for Fusion Neutronics Calculations

This poster summarizes internship work to support new developments of MOOSE/FENIX Capabilities for fusion neutronics calculations. A new feature was added to allow coupling OpenMC models with thermomechanics models and was verified. Two coupled multiphysics models are demonstrated for a tokamak model and monoblock divertor model. Results show heating results, temperature distributions, tritium production and transport.

99 - GENERAL AND MISCELLANEOUS↗
NASA NTRSDate not supplied

Modeling of a Solid Oxide Fuel Cell as Part of a Predictive Functional Model for Aerospace Fuel-Cell Systems

This paper will discuss initial efforts at modeling a solid oxide fuel cell (SOFC) for aerospace applications. Fuel cells historically have been used in spacecraft from the Gemini to the Shuttle era for providing spacecraft power with the added benefit of producing water for crew use. However, there are many potential applications for fuel cells and electrolyzers in spaceflight, including oxygen generation, in-situ resource utilization (ISRU) and propellant production. This proof-of-concept model has been developed using a commercial multiphysics modeling software package. Two-dimensional and one-dimensional isothermal models were created based on a certain SOFC design and results were compared to test data from the real system. Local Butler-Volmer kinetic relations were adjusted, and an effective porous medium approach was taken in order to capture how the many interconnects between cells in the gas channels affected fluid flow. The model was able to reproduce polarization curves derived from test data within around 0.02 Volts for a given current density. This model could be adapted to model a solid oxide electrolyzer, proton exchange membrane fuel cell, or other type of fuel cell technology in order to understand how these types of technologies could fit into broader spacecraft designs and advance the capabilities of spaceflight systems.

Mary Lou Nadeau↗
NASA NTRSDate not supplied

Modeling of a Solid Oxide Fuel Cell as Part of a Predictive Functional Model for Aerospace Fuel-Cell Systems

This paper will discuss initial efforts at modeling a solid oxide fuel cell (SOFC) for aerospace applications. Fuel cells historically have been used in spacecraft from the Gemini to the Shuttle era for providing spacecraft power with the added benefit of producing water for crew use. However, there are many potential applications for fuel cells and electrolyzers in spaceflight, including oxygen generation, in-situ resource utilization (ISRU) and propellant production. This proof-of-concept model has been developed using a commercial multiphysics modeling software package. Two-dimensional and one-dimensional isothermal models were created based on a certain SOFC design and results were compared to test data from the real system. Local Butler-Volmer kinetic relations were adjusted, and an effective porous medium approach was taken in order to capture how the many interconnects between cells in the gas channels affected fluid flow. The model was able to reproduce polarization curves derived from test data within around 0.02 Volts for a given current density. This model could be adapted to model a solid oxide electrolyzer, proton exchange membrane fuel cell, or other type of fuel cell technology in order to understand how these types of technologies could fit into broader spacecraft designs and advance the capabilities of spaceflight systems.

Mary Lou Nadeau↗
NASA NTRSDate not supplied

Modeling of a Solid Oxide Fuel Cell as Part of a Predictive Functional Model for Aerospace Fuel-Cell Systems

This paper will discuss initial efforts at modeling a solid oxide fuel cell (SOFC) for aerospace applications. Fuel cells historically have been used in spacecraft from the Gemini to the Shuttle era for providing spacecraft power with the added benefit of producing water for crew use. However, there are many potential applications for fuel cells and electrolyzers in spaceflight, including oxygen generation, in-situ resource utilization (ISRU) and propellant production. This proof-of-concept model has been developed using a commercial multiphysics modeling software package. Two-dimensional and one-dimensional isothermal models were created based on a certain SOFC design and results were compared to test data from the real system. Local Butler-Volmer kinetic relations were adjusted, and an effective porous medium approach was taken in order to capture how the many interconnects between cells in the gas channels affected fluid flow. The model was able to reproduce polarization curves derived from test data within around 0.02 Volts for a given current density. This model could be adapted to model a solid oxide electrolyzer, proton exchange membrane fuel cell, or other type of fuel cell technology in order to understand how these types of technologies could fit into broader spacecraft designs and advance the capabilities of spaceflight systems.

Mary Lou Nadeau↗
NASA NTRSDate not supplied

Modeling of a Solid Oxide Fuel Cell as Part of a Predictive Functional Model for Aerospace Fuel-Cell Systems

This paper will discuss initial efforts at modeling a solid oxide fuel cell (SOFC) for aerospace applications. Fuel cells historically have been used in spacecraft from the Gemini to the Shuttle era for providing spacecraft power with the added benefit of producing water for crew use. However, there are many potential applications for fuel cells and electrolyzers in spaceflight, including oxygen generation, in-situ resource utilization (ISRU) and propellant production. This proof-of-concept model has been developed using a commercial multiphysics modeling software package. Two-dimensional and one-dimensional isothermal models were created based on a certain SOFC design and results were compared to test data from the real system. Local Butler-Volmer kinetic relations were adjusted, and an effective porous medium approach was taken in order to capture how the many interconnects between cells in the gas channels affected fluid flow. The model was able to reproduce polarization curves derived from test data within around 0.02 Volts for a given current density. This model could be adapted to model a solid oxide electrolyzer, proton exchange membrane fuel cell, or other type of fuel cell technology in order to understand how these types of technologies could fit into broader spacecraft designs and advance the capabilities of spaceflight systems.

Mary Lou Nadeau↗
NASA NTRSDate not supplied

Coupled Reactor and Engine Nuclear Thermal Propulsion Modeling Methodology

The design and development process of a Nuclear Thermal Propulsion (NTP) system requires extensive multiphysics modeling to couple the neutron physics and thermal feedback effects to determine the reactor’s power shape. Propulsion system performance codes utilize this power shape to determine NTP key performance parameters. While the power shape is heavily dependent on the temperature profile and geometry of the reactor, many analyses either assume a constant power shape, or use neutronics analysis to determine a power shape for a specific reactor configuration. The development of a coupling interface for a propulsion system performance code and a Monte Carlo neutron transport code (OpenMC) allows for the reactor power shape to be calculated in an iteration loop. The interface utilizes a file share system to transfer geometry dimensions, temperatures, and material identifiers to OpenMC, which is used to perform a neutron transport simulation of a design like the government Testing Reference Design reactor. The interface is then able to post-process the results from OpenMC and use the same file share system to share a power shape and other important neutron transport parameters to the system performance code. Initial results show that neglecting the changes to power shape when comparing reactor configurations can yield inaccurate results. Furthermore, utilizing propellants other than hydrogen gas can cause significant changes to the power shape, and thus, the thermal performance of a specific reactor design. This methodology is being expanded to allow for multiple families of NTP reactors to be analyzed, including block moderator, particle bed, and NERVA-derived reactors.

multiphysics coupling↗
NASA NTRSDate not supplied

Coupled Reactor and Engine Nuclear Thermal Propulsion Modeling Methodology

The design and development process of a Nuclear Thermal Propulsion (NTP) system requires extensive multiphysics modeling to couple the neutron physics and thermal feedback effects to determine the reactor’s power shape. Propulsion system performance codes utilize this power shape to determine NTP key performance parameters. While the power shape is heavily dependent on the temperature profile and geometry of the reactor, many analyses either assume a constant power shape, or use neutronics analysis to determine a power shape for a specific reactor configuration. The development of a coupling interface for a propulsion system performance code and a Monte Carlo neutron transport code (OpenMC) allows for the reactor power shape to be calculated in an iteration loop. The interface utilizes a file share system to transfer geometry dimensions, temperatures, and material identifiers to OpenMC, which is used to perform a neutron transport simulation of a design like the government Testing Reference Design reactor. The interface is then able to post-process the results from OpenMC and use the same file share system to share a power shape and other important neutron transport parameters to the system performance code. Initial results show that neglecting the changes to power shape when comparing reactor configurations can yield inaccurate results. Furthermore, utilizing propellants other than hydrogen gas can cause significant changes to the power shape, and thus, the thermal performance of a specific reactor design. This methodology is being expanded to allow for multiple families of NTP reactors to be analyzed, including block moderator, particle bed, and NERVA-derived reactors.

multiphysics coupling↗
DOE OSTI2025

Supporting New Advanced Nuclear Technologies for Commercial-Maritime Applications

The ANS summary doesn't require an abstract, but I will produce one for the purpose of LRS: The large demand for maritime nuclear power underscores the need for experimental campaigns and modeling and simulation of new advanced reactors, which offer numerous advantages in terms of safety, efficiency, and compactness. INL, through the work conducted by NRIC and ABS, has addressed some of the technical, regulatory, and economic aspects of potential nuclear commercial maritime applications. However, on the technical side, there remain important physical phenomena, particularly for advanced reactors, that are not yet fully understood. Addressing these knowledge gaps requires a combination of experiments and advanced modeling and simulation techniques. INL possesses significant expertise in Multiphysics modeling and simulation. By collaborating with INL, the maritime nuclear sector can leverage this expertise to advance the development and deployment of innovative nuclear technologies.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗