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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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At least 19 records
All sourcesNASA NTRSDOE OSTI
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 OSTI2025

Block-Structured Operator Inference for Coupled Multiphysics Model Reduction

This work presents a block-structured formulation of Operator Inference as a way to learn structured reduced-order models for multiphysics systems. The approach specifies the governing equation structure for each physics component and the structure of the coupling terms. Once the multiphysics structure is specified, the reduced-order model is learned from snapshot data following the nonintrusive Operator Inference methodology. In addition to preserving physical system structure, which in turn permits preservation of system properties such as stability and second-order structure, the block-structured approach has the advantages of reducing the overall dimensionality of the learning problem and admitting tailored regularization for each physics component. The numerical advantages of the block-structured formulation over a monolithic Operator Inference formulation are demonstrated for aeroelastic analysis, which couples aerodynamic and structural models. For the benchmark test case of the AGARD 445.6 wing, block-structured Operator Inference provides an average 20% online prediction speedup over monolithic Operator Inference across subsonic and supersonic flow conditions in both the stable and fluttering parameter regimes while preserving the accuracy achieved with monolithic Operator Inference.

42 ENGINEERING↗
DOE OSTI2024

High-Fidelity Multiphysics Modeling of a Heat Pipe Microreactor Using BlueCrab

Researchers who are actively developing nuclear microreactors are planning to employ innovative designs and features using traditional commercial modeling tools that may be inadequate for their design and licensing activities. The codes developed under the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) program provide flexibility in terms of geometry modeling and multiphysics coupling and are particularly well suited for modeling novel microreactor concepts. To test the maturity of these codes, this paper introduces a conceptual heat pipe microreactor (HP-MR) designed to gather various technologies of interest to microreactor developers such as control drums, heat pipes, and hydride moderators. Here, the objective of this effort is to demonstrate NEAMS tools capability to perform high-fidelity multiphysics simulations, using coupled neutronics (via the Griffin code), heat conduction (via the BISON code), heat pipe modeling (via the Sockeye code), and hydrogen redistribution in hydride metal moderator (via the SWIFT code). Codes are coupled in-memory through the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, which permits flexible multiphysics data transfer schemes. The analysis confirmed two key aspects of the HP-MR concept: (1) its ability to follow the power load requested from the heat pipe and (2) its ability to avoid heat pipe cascading failure unless designed with high power close to operating failure limits of its heat pipes. The developed computational model was distributed publicly on the Virtual Test Bed for training purposes to accelerate adoption by industry and to provide a high-fidelity multiphysics solution for benchmarking against other tools. Additional multiphysics analyses including other transients and coupled physics were identified as necessary future work, together with a focus on validating multiphysics behavior against experiments.

Microreactor↗
DOE OSTI2025

Summary of Multiphysics Modeling for Sublimation Mass Transfer

This report summarizes the effort to develop a multiphysics modeling framework for sublimation mass transfer processes. The aim of the project was to develop a multiphysics code capable of predicting phase change between solid and gas in a closed container, and the movement of material within such a container when exposed to various exterior environmental conditions. Two modeling frameworks were developed towards this aim: one with a high-fidelity computational fluid dynamics (CFD) structure, and the other as a fast reduced-order model. Ultimately, both attempts were unsuccessful due to instabilities in the code and physical processes for which there is no adequate numerical representation. Both modeling attempts are briefly detailed before providing a brief survey of recent updates in the literature, and a recommendation for future work on this subject.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Multiphysics Modeling of Microreactors with NEAMS codes, and Validation Based on KRUSTY Reactivity Insertion

The NEAMS Multiphysics Applications team continues to assess code usability and functionality for microreactor design and safety analyses, while demonstrating that NEAMS tools capture both steady-state and transient behavior across distinct microreactor concepts. In FY2025, the team advanced full-core, high-fidelity, multiphysics models that solve more complex problems and strengthen verification/validation for several microreactor systems: heat-pipe microreactor (HPMR), gas-cooled microreactor (GCMR), and the KRUSTY experiment. These models employ the MOOSE MultiApp/Transfers architecture with Griffin for neutronics, BISON for heat conduction/thermomechanics, Sockeye for heat pipes, SAM/THM for coolant channels and loops, and SWIFT for hydride behavior, with meshes generated via the MOOSE Reactor Module. The graphite models available in the Grizzly code were also investigated for future analyses. For the HPMR, a Na-HPMR variant was constructed to align with recently validated heat-pipe experiments and Sockeye’s LCVF capability, enabling mechanistic heat-pipe transients and startup modeling. The Na-HPMR will serve as the primary model for HPMR investigations in upcoming tasks. The load-following and single heat-pipe failure scenarios (Griffin/BISON/Sockeye), which were previously modeled for the K-HPMR, were replicated for the Na-HPMR, showing strong negative temperature feedback and highly localized thermal effects, respectively, while the startup case captured vapor-front progression and heat-removal activation. Solid mechanics was added to the previously built K-HPMR full-core model in BISON, showing minimal impact on steady-state reactivity yet enabling stress-field predictions that prepare the path for full-core TRISO performance analyses. For the GCMR, automated steady-state and four transient scenarios were executed using Griffin/BISON/SAM/SWIFT. Results confirm robust inherent safety: power collapses promptly in loss-of-cooling events, the inlet-temperature drop settles to a new equilibrium, and a single-channel blockage yields only a ~30 K local fuel-temperature rise with <0.4% power decrease. SWIFT-predicted hydrogen redistribution affects reactivity during both steady-state and transient conditions, underscoring its importance. A Brayton-cycle balance of plant (BOP) model in SAM/THM demonstrated stable startup behavior, and xenon-driven reactivity during load following was analyzed. To improve TRISO-compact temperature fidelity, a fast multiscale Heat Source Decomposition (HSD) treatment was implemented. Against heterogeneous benchmarks, HSD reduces underprediction of kernel temperatures and lowers predicted peak powers in reactivity-insertion transients compared to previous homogenized models. KRUSTY warm-critical validation progressed from FY2024 baselines: the 15Ȼ insertion shows excellent agreement in peak power (~2% high) and temperature trends, and the 30Ȼ case was automated via a feedback controller that maintained power near 3 kW for ~150 s with close agreement to data. The successful modeling of the warm critical tests has laid a strong foundation for simulating more complex nuclear system tests in the years ahead. Throughout FY2025, developer feedback was provided (e.g., MOOSE batch mesh generation, distributed pre-split meshes, Griffin sweeper on displaced meshes), several new models were contributed to the Virtual Test Bed, and an OECD-NEA WPRS multiphysics benchmark based on the HPMR was initiated to enable broader cross-comparison and best-practice development with the nuclear community at large.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

A real-time multiphysics model of a pressurized solid oxide electrolysis cell (SOEC) for cyber-physical simulation

Solid oxide electrolysis cells (SOEC) can play important roles in integrated energy systems (IES) as the hydrogen production hub and the resilience energy hub. When tied to a microgrid with high renewable penetration, the SOEC is subjected to rapid load transitions in response to the intermittent renewable generations that occur not only in diurnal cycles but also in short timeframes (e.g., sub-minute). The cyber-physical simulation approach can derisk operability research but requires a real-time dynamic SOEC model. In the present work, a real-time multiphysics model for pressurized SOEC is developed and validated in the pressure range from 1.4 to 8bar. Further, the accuracy of the single repeating unit (SRU) assumption in SOEC stack simulation is quantified. A guidance of more than 45 cells in one SOEC stack is recommended to safely apply the SRU assumption. Modeling results suggest that at a given current density, more power is consumed by SOEC at elevated operating pressures. The anode air and cathode stream have major impacts on thermal management, highlighting the potential benefit of integrating SOEC with other thermal processes in IES. To achieve high hydrogen production efficiency, the SOEC could operate at the maximum endothermic point to maximize the use of thermal energy. The real-time execution of the developed SOEC model is also demonstrated, which only takes 0.1% of the fixed time step of 5ms. The developed model establishes the basis for cyber-physical simulation of SOEC hybrid systems.

25 ENERGY STORAGE↗
DOE OSTI2025

3D Multiphysics Model for Large Scale Planar Cell: Inductance Investigation in Impedance Analysis

Developed a comprehensive 3D multiphysics model to analyze impedance behavior in large-scale planar Solid Oxide Fuel Cells (SOFCs). The model investigates how impedance varies across operating conditions and cell components, with a particular focus on inductive loops or negative capacitance at the air electrode. It was found that the Inductive loop disappears in the low-frequency zone when the activation overpotential or faradic current is not temperature-dependent. These findings offer new insights into SOFC impedance behavior.

impedence analysis↗
DOE OSTI2024

Multiphysics modeling of accelerators through code integration

This work aims to improve the ability of particle accelerator researchers to develop high-performance accelerator cavity designs by creating an overall multiphysics framework that integrates and couples existing application codes. This framework will allow accelerator researchers to build multiphysics models that will optimize cavity design, improve understanding of whole-device performance, and reduce the development and fabrication costs of accelerator research. We utilize the open-source VizSchema data standard as an intermediate data structure interface layer to standardize interfaces between individual application codes. VizScema is extensively documented online, and plugins for VizSchema are available for popular visualization packages, including VisIt and ParaView. Currently, the work focuses on coupling the EM field solver COMSOL and the electron gun code MICHELLE to allow COMSOL field-solve results to be seamlessly used by MICHELLE for particle-solve. Later work will extend this integration to include other fields, particles, and thermodynamics simulation codes.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Multiphysics Modeling of Hydrokinetic Turbine Energy Conversion System

Hydrokinetic turbines (HKTs) hold great promise as a renewable energy source, but high maintenance costs and limited energy output hinder their widespread adoption. The lack of comprehensive research on HKT drivetrain designs creates a knowledge gap in enhancing generation efficiency and cost reduction. A model of the HKT system with a focus on electric drivetrains and power converters is required to address this knowledge gap. This paper first introduces a MATLAB-averaged model integrating electrical-mechanical-thermal domains and aging behaviors within multi-time frames. Then a PLECS model, which incorporates maximum power point tracking and dq reference framed control for AC-DC-AC power converters, is enriched by a dynamic thermal model to predict fast transients accurately. These models optimize the design at the component level, resulting in improved integrated system performance. Furthermore, the validation of the models is carried out through hardware experiments for the averaged model and hardware-in-the-loop testing for the dynamic model.

ADVANCED PROPULSION SYSTEMS,HYDRO ENERGY↗
DOE OSTI2025

MOSCATO Development and Integration in Fiscal Year 2025: Implementation of Multiphase, Multiphysics Modeling Capabilities for Molten Salt Systems

MOSCATO (Molten Salt Chemistry and Transport) is a multiphysics code that provides high-fidelity, coupled simulations of fluid flow, heat transfer, mass transfer, chemistry, electrochemical phenomena, and alloy corrosion for molten salt systems. In FY25, significant developments were made to the code package, enhancing its capabilities for modeling all relevant phenomena within operating moltens salt reactors (MSRs). The developments and activities in FY25 included: 1. Implementation of Level-Set methods to enable modeling of single-bubble behavior in molten salts. In FY25, the Level-Set two-phase flow modeling implementation was improved to simulate single bubble behavior with molten salt media. The large density and viscosity ratios between typical gases and molten salt liquids present challenges for these types of numerical solvers. With enhancements to the pressure projection method, MOSCATO’s Level-Set solver was able to be successfully validated to experiments related to helium bubble rise in stagnant molten salt. The simulated bubble rising velocity showed reasonable good agreement with experimental measurements. The bubble shape and dynamics were also visually compared with experimental snapshots, demonstrating a good qualitative match. 2. Generation of mass transfer correlations for multiphase flow systems. To enable calculations of the tritium transport across the interface between gas bubbles and salt, we modeled high- Schmidt-number mass transfer around a sphere across a broad range of Reynolds numbers. The mesh near the sphere surface was highly refined to resolve steep concentration gradients caused by the low diffusion coefficient. Literature-based mass transfer correlations were compared with the numerical results, and modifications were proposed to improve agreement, particularly at higher Schmidt numbers. These mass transfer correlations were subsequently provided to other national laboratories to help enable high quality mass transfer simulations using lower-order solvers under development within the NEAMS program. 3. Preliminary implementation of a bubbly flow solver. To model bubbly flow in molten salt, we implemented a bubbly flow solver for void fractions less than 5%. To do so, an algebraic relative velocity model that assumes small bubbles with rapid momentum equilibration was added to MOSCATO to compute bubble velocities. Preliminary comparisons with experimental data showed reasonable agreement, and further improvements are underway. 4. Generation of mass transfer correlations for MSRE subchannel The Molten-Salt Reactor Experiment (MSRE) was a landmark historical project that demonstrated the feasibility of molten-salt reactor technology. The MSRE campaign also generated a significant body of experimental data and reports that continue to support molten-salt–related research. In this report, the MSRE core subchannel was used as the reference geometry for a mass transfer study performed with MOSCATO. The geometry and computational mesh were adapted from a previous study, providing adequate resolution for the relatively low Reynolds number in this case. Additional mesh refinement was applied to reach higher Schmidt numbers, enabling the derivation of a reliable mass-transfer correlation for the present scenario. 5. Simulations of oxygen ingressions into molten salt. In the previous fiscal year, we initiated a study to simulate oxygen ingression in stagnant salt. As oxygen enters the salt through its surface, it reacts with Ce 3+ to form solid CeO 2 and other reaction products. To more fully capture the complex diffusion-convection-reaction mechanisms, capabilities for modeling natural convection in the salt vessel were added. These were needed as the flow of the ingressed gas induced flow in the salt caused by surface shear and non-isothermal effects. With these updated physics in place, we were able to successfully reproduce the experimental results for the rate of change of CeCl 3 concentrations versus time. 6. Flow corrosion model validation. In FY24, MOSCATO’s corrosion model was validated against static corrosion experiments. In FY25, this work was extended to a flow corrosion experiment, where FLiNaK salt was driven by natural convection, with initial salt impurities to initiate corrosion. Despite uncertainties in parameters such as elemental diffusion coefficients in the alloy and unknown H + concentrations, the simulations achieved good agreement with experimental results, especially in predicting sample mass losses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Multiphysics modelling in PyLith: poroelasticity

SUMMARY PyLith, a community, open-source code for modelling quasi-static and dynamic crustal deformation with an emphasis on earthquake faulting, has recently been updated with a flexible multiphysics implementation. We demonstrate the versatility of the multiphysics implementation by extending the code to model fully coupled continuum poromechanics. We verify the newly incorporated physics using standard benchmarks for a porous medium saturated with a slightly compressible fluid. The benchmarks include the 1-D consolidation problem as outlined by Terzaghi, Mandel’s problem for the 2-D case, and Cryer’s problem for the 3-D case. All three benchmarks have been added to the PyLith continuous integration test suite. We compare the closed form analytical solution for each benchmark against solutions generated by our updated code, and lastly, demonstrate that the poroelastic material formulation may be used alongside the existing fault implementation in PyLith.

Geochemistry & Geophysics↗
DOE OSTI2024

Recent Advanced Reactor Multiphysics Model Highlights in the Virtual Test Bed (VTB)

The Virtual Test Bed (VTB) host over 30 distinct simulations that showcase state-of-the art capabilities across the national lab complex. An update on the status of models on the VTB is summarized here, along with a more detailed overview of select recent new capabilities to showcase. All of the major advanced reactor types are represented in the VTB. The first example consists of a multiphysics simulation to track the transport of species in Molten Salt Reactors using depletion, advection, and thermochemical calculations. The second consists of a coupled neutronic and thermal hydraulic simulation to validate a gas cooled reactor. The third consist of pebble-bed equilibrium model for a fluoride high-temperature reactor. The fourth is a high-fidelity neutronic and thermal hydraulic model of a liquid metal reactor assembly. And lastly the fifth consists of transient multiphysics simulations of heat pipe microreactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Release of a High Temperature Engineering Test Reactor (HTTR) Steady State Multiphysics Model to the Virtual Test Bed

In response to climate change, global governments and private industry have established a common goal of achieving net-zero emissions by 2050 \cite{osti_1865910}. This goal requires a reassessment of current energy demands and production methods. Reducing emissions at an affordable cost while maintaining grid reliability requires a nationwide collaborative effort among government and industry in the United States. Nuclear power is the leading low-carbon electricity generation method. In the past 50 years, the use of nuclear power has reduced carbon dioxide emissions by over 60 gigatons and has played a crucial role in the security of energy supply~\cite{IEA}. In the U.S., nuclear power accounts for 20\% of the electrical supply and provides energy reliably. Advanced reactors will operate at higher temperatures, operate more efficiently, utilize more energy stored within fuel, and reduce the amount of waste produced \cite{osti_1616270}. To face these challenges and goals, the U.S. Department of Energy has created an initiative to focus on the modeling and simulation tools to support future nuclear power plant design, licensing, and operations. The Virtual Test Bed (VTB)~\cite{vtb2023} was launched by the National Reactor Innovation Center (NRIC) in collaboration with the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to support the advanced nuclear reactor community. The VTB involves teams from both Idaho National Laboratory and Argonne National Laboratory and aims to provide example models for a broad range of both current and future advanced reactor designs. A feature of the VTB is the automatic testing of these models to ensure continued functionality as simulation tools are further developed. The VTB and the advanced reactor models documented there are important resources for this initiative. This work describes the inclusion of a new model on the VTB---a High Temperature Engineering Test Reactor (HTTR) steady-state model \cite{LABOURE2023109838}.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Serpent - Bison - THM Preliminary Multiphysics Modeling of a Nuclear Thermal Propulsion System Fuel Assembly

This work demonstrates the Monte Carlo neutronic and Thermo-Hydraulic coupling scheme using the Serpent code and MOOSE application Bison and Thermo Hydraulic Module. The coupling scheme is then applied to the reference BWX Technologies Nuclear Ther- mal Propulsion system at he fuel assembly level where it’s used to perform an analysis of the isothermal material coefficients and potential material reactivity worth. A method is developed to isolate which feedback effects should be considered for proceeding with reduced order deterministic neutronic modeling where branch off analysis must be con- ducted. The convergence behavior of the coupling scheme is demonstrated where it fol- lows the standard Picard iteration approach. Verification studies for the method of deduc- ing relevant feedback effects is also demonstrated.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Adaptively remeshed multiphysical modeling of resistance forge welding with experimental validation of residual stress fields and measurement processes

Welding processes used in the production of pressure vessels impart residual stresses in the manufactured component. Computational modeling is critical to predicting these residual stress fields and understanding how they interact with notches and flaws to impact pressure vessel durability. Here, in this work, we present a finite element model for a resistance forge weld and validate it using laboratory measurements. Extensive microstructural changes, near-melt temperatures, and large localized deformations along the weld interface pose significant challenges to Lagrangian finite element modeling. The proposed modeling approach overcomes these roadblocks in order to provide a high-fidelity simulation that can predict the residual stress state in the manufactured pressure vessel; a rich microstructural constitutive model accounts for material recrystallization dynamics, a frictional-to-tied contact model is coordinated with the constitutive model to represent interfacial bonding, and adaptive remeshing is employed to alleviate severe mesh distortion. An interrupted-weld approach is applied to the simulation to facilitate comparison to displacement measures. Several techniques are employed for residual stress measurement in order to validate the finite element model: neutron diffraction, the contour method, and the slitting method. Model-measurement comparisons are supplemented with detailed simulations that reflect the configurations of the residual-stress measurement processes themselves. The model results show general agreement with experimental measurements, and we observe some similarities in the features around the weld region. Factors that contribute to model-measurement differences are identified. Finally, we conclude with some discussion of the model development and residual stress measurement strategies, including how to best leverage the efforts put forth here for other weld problems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Computational multiphysics modeling of radioactive aerosol deposition in diverse human respiratory tract geometries

The evaluation of aerosol exposure relies on generic mathematical models that assume uniform particle deposition profiles over the human respiratory tract and do not account for subject-specific characteristics. Here we introduce a hybrid-automated computational workflow that generates personalized particle deposition profiles in 3D reconstructed human airways from computed tomography scans using Computational Fluid and Particle Dynamics simulations. This is the first large-scale study to consider realistic airways variability, where 380 lower and 40 upper human respiratory tract 3D geometries are reconstructed and parameterized. The data is clustered into nine groups using random forest regression. Computational fluid and particle dynamics simulations are conducted on these representative geometries using a realistic heavy-breathing respiratory cycle and radioactive iodine-131 as a source term. Monte Carlo radiation transport simulations are performed to obtain detailed energy deposition maps. Our findings emphasize the importance of personalized studies, as minor respiratory tract variations notably influence deposition patterns rather than global parameters of the lower airways, observing more than 30% variance in the mass deposition fraction.

62 RADIOLOGY AND NUCLEAR MEDICINE↗