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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

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

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

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

New Developments and Verification of the Fusion Blanket Simulation Capabilities in the MOOSE Framework

This poster contains new developments and updates in the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework related to fusion modeling and simulation, and forms the basis for an on-going effort in modeling whole fusion devices at Idaho National Laboratory using MOOSE. In this work, a slice of the midplane of a proposed ceramic breeder blanket design for the Fusion Nuclear Science Facility is simulated using a combination of neutronics, 1D system level thermal hydraulics for helium, 3D heat conduction, and tritium transport. Previous work focused on the engineering scale full assembly of a blanket sector, but the simulations here form the basis for software quality and verification efforts to increase confidence as the large scale simulations continue. This poster was presented at the Idaho National Laboratory Intern Poster Session 2023.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Thermal Spectrum Molten Salt-Fueled Reactor Reference Plant Model

This report details a fully coupled neutronics thermal hydraulics reference plant model for a thermal spectrum molten salt-fueled reactor. The Multiphysics model is developed on the Nuclear Regulatory Commission's Comprehensive Reactor Analysis Bundle available on the Idaho National Laboratory high-performance computer, which natively and seamlessly couples Griffin and Sam codes of the Multiphysics Object-Oriented Simulation Environment (MOOSE) based applications. Griffin provides the reactor physics capabilities, k-eigenvalue, delayed neutron precursor concentrations, and transient solutions for stationary and flowing fuels. Sam provides the solution of mass, momentum, and energy conservation equations of the whole system with a set of system components for one-dimensional single-phase flow. The neutronics feedback model relies primarily on fuel and moderator temperatures, fuel salt density, and delayed neutron precursors distributions. This report presents our results for the coupled steady state core and an unprotected loss of flow event. Although this model is prototypical regarding capabilities in the Comprehensive Reactor Analysis Bundle, its results are consistent with experimental data of the pump transient tests that were performed at zero power of the Molten Salt Reactor Experiment (MSRE).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Multiphysics and Multiscale Simulation Methods for Electromagnetic Energy Assisted Fossil Fuel to Hydrogen Conversion (Final Scientific/Technical Report)

This report summarizes the technical accomplishments of the four-year research project “Multiphysics and Multiscale Simulation Methods for Electromagnetic Energy Assisted Fossil Fuel to Hydrogen Conversion” (Award No. DE-FE0032092), conducted at Howard University and the University of Houston (subawardee) from September 2021 to August 2025. The project successfully achieved all four major objectives: 1. 3D Structural Characterization – Developed 3D optical imaging and mechanical sectioning methods to characterize catalyst distribution and support morphology in nickel foam substrates. Successfully reconstructed 3D geometries and imported them into COMSOL Multiphysics for electromagnetic simulations. 2. EM Hotspot Simulation – Created all-frequency stable electromagnetic formulations and 3D nodal discontinuous Galerkin (NDG) methods for coupled electromagnetic-thermal-fluid problems in multiscale catalytic media. Demonstrated stable solutions from DC to microwave frequencies. 3. Multiphysics Coupling – Developed multiscale simulation methods coupling FEM electromagnetic solvers with thermal transport equations. Reactive molecular dynamics (ReaxFF MD) simulations were performed to investigate catalytic reaction mechanisms at the atomistic level. Demonstrated electromagnetic-thermal co-simulation capabilities for porous catalyst structures. 4. System Optimization – Designed and optimized EM-assisted catalytic systems using nickel foam and carbon foam structures, demonstrating significant temperature increases due to microwave heating. Observed and characterized plasma generation in carbon fiber catalysts. Investigated multiple reaction chamber geometries for improved microwave energy deposition. The project produced significant scientific contributions including 15+ peer-reviewed publications, trained multiple Ph.D. students and undergraduate researchers, and advanced the understanding of microwave-assisted hydrogen production from fossil fuels.

08 HYDROGEN↗
DOE OSTI2020

Review of Tools for Modeling Core Radial Expansion in Liquid Metal-Cooled Fast Reactors

Core radial expansion in liquid-metal cooled fast reactor systems is a well-known phenomenon that produces strong reactivity feedback effects. It is crucial from a safety standpoint to design a reactor with the proper core restraint system to guide expansion of the fuel assemblies into a formation that produces negative reactivity feedback in accident conditions. However, the modeling of core radial expansion and its associated reactivity feedback is extremely challenging. Liquid metal-cooled fast reactor designers (both industry and commercial) have pointed to improved modeling of core radial expansion as a key modeling challenge for these types of reactors. The Department of Energy Nuclear Energy Advanced Modeling and Simulation (DOE-NEAMS) program has an important role to play in helping to develop a robust, predictive tool for this phenomenon. A literature review has been performed to identify current simulation capabilities applicable to the prediction of core radial expansion in liquid metal-cooled fast reactors and the resultant reactivity feedback effects. An overview as well as a detailed description of the multi-physics phenomena underlying core radial expansion is given in the first two chapters. The objective of this report is to identify existing software that has been or could be applied to the core radial expansion problem, and then to identify possible paths to develop a robust, coupled Multiphysics tool for advanced analysis, in which all three physics (radiation transport, structural mechanics, thermal fluids) are taken into account considering feedback effects from each physics to the other. Several computer codes and workflows have been developed in the United States and abroad to perform individual aspects of radial expansion calculations or to perform loosely coupled analysis. No code system currently exists which tightly and robustly couples the neutronics, thermal hydraulics, and thermal mechanical physics with enough detail to fully resolve the complex core radial expansion reactivity feedback effects. The future availability of such a code system is of vital importance to fully understanding the reactivity feedback effects that occur due to radial expansion, and consequently to optimizing the design of the core restraint system. A potential code development path forward using MOOSE-based tools is suggested in order to leverage the natural tight coupling and robustness of MOOSE-based applications. Additionally, potential gaps for modeling and common assumptions are listed which require further investigation to ensure accuracy for prediction of deformations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Computational Fluid Dynamics and Heat Transfer Modeling of a Dimpled Heat Exchanger

Multiphysics and analytical calculations were conducted for a heat exchanger with passive, natural circulation flow. A glycol/water working fluid convects the heat to a dimpled heat exchanger shell, which subsequently transfers the heat to the soil, which acts as the ultimate heat sink. Because the system is fully-passive, it is not subject to the expenses, maintenance, and mechanical breakdowns associated with moving parts. Density, heat capacity, and thermal conductivity material properties were measured for various soil samples, and subsequently included as input for the soil heat conduction model. The soil model was coupled to a computational fluid dynamics (CFD) heat exchanger model that included the dynamic Smagorinsky large eddy simulation and k- omega turbulence models. The analysis showed that the fluid dynamics and heat transfer models worked properly, albeit at a slow pace. Nevertheless, the coupled CFD/heat conduction simulation ran long enough to determine a key parameter—the amount of heat conducted from the heat exchanger to the ground. This unique performance value, along with experimental data, was used as input for stand-alone, fast-running CFD models, as well as boundaries to obtain solutions to partial differential equations for soil heat conduction.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

High-Temperature Gas-Cooled Reactors Multiphysics Simulation Demonstration and Code Validation

This study presents a comprehensive benchmarking and verification effort of several thermal-hydraulic and multiphysics capabilities for high-temperature gas-cooled reactor applications. The first part of this effort focuses on the running-in verification of Griffin’s multiphysics capabilities, specifically for simulating the evolution of pebble-bed reactor cores from startup to equilibrium. Since Fiscal Year 2024, improvements and enhancements have been implemented in Griffin, including simplifying the process to specify streamlines and developing the online cross-section generation capability. In the absence of validation data, code-to-code comparisons are conducted with kugelpy, showing good agreement for integral quantities like k-eff predictions and predictions for maximum power density. However, accuracy issues are noted for more detailed quantities like the spatial distribution of fission rate densities which will require further work to address. The second part of this report presents an improved System Analysis Module (SAM) core channel model where the effects of cross flow are considered during the pressurized loss of forced cooling transient, resulting in an improved agreement of the predicted pebble temperature with respect to the predictions from the SAM 2D porous media model. Additionally, the wall channeling effect due to variable porosity at the near wall region of the core is also investigated. Furthermore, to demonstrate Griffin’s online cross-section generation capability, a Multiphysics simulation is performed by coupling Griffin to the SAM core channel model. In the third part of the report, as a part of the Organisation for Economic Co-operation and Development/Nuclear Energy Agency (OECD/NEA) thermal-hydraulic code validation benchmark activity for a high-temperature gas-cooled reactor, the High Temperature Test Facility (HTTF) is investigated first using the NekRS computational fluid dynamics (CFD) code to study the flow mixing phenomenon in the lower plenum of the facility. Then, code-to-code and code-to-data comparisons are performed for Test PG27, which is a pressurized conduction cooldown (PCC) test, using five different codes by six organizations from five countries. The different simulations show good agreements in terms of the general trend but there are differences in some results such as the peak temperatures of different regions and heat removal rate.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Godiva Experiments for the Nuclear Criticality Safety Program (NCSP)

Godiva IV is a fast burst critical assembly constructed of approximately 65 kg of highly enriched uranium (HEU) fuel alloyed with 1.5 percent molybdenum for strength. Godiva is one of the last such critical assemblies in the United States, and can be used for studies of super-prompt critical behavior as well as irradiations and demonstrations. A demonstration of a Godiva burst is usually performed as a highlight of the hands-on portion of the Criticality Safety Training Classes taught at the National Criticality Experiment Research Center (NCERC). The Godiva burst is used to demonstrate the concept of super-prompt critical and the time-scale of a criticality accident. In addition, several NCSP projects have been conducted on Godiva IV over the past two years. One experiment focused on collecting data to support multiphysics simulations using Photo-Doppler Velocimetry (PDV) to measure surface movement and gamma detectors to measure the burst output as the burst develops from background to peak over ten orders of magnitude. Another experiment was performed to demonstrate the functionality of the Criticality Accident Alarm System (CAAS) system developed for installation in the Y-12 Uranium Processing Facility (UPF). The system must not only respond to a criticality event and alarm, but must also be shown to operate in a high dose environment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Multiphysics Computational Fluid Dynamics for Design and Scale-Up of CO 2 /Syngas Bioreactors [Poster]

What are we trying to do? Develop validated, high fidelity computational models for gas fermentation using CO 2 , CO and H 2 . How is it done today? Microbiological advances are made at the lab scale in well mixed reactors. Process scale-up remains an open question when considering novel microorganisms/reaction systems. Why is this important? Lab-to-production scale transition is required to achieve CO 2 conversion at Mton/Gton scale and computational models can de-risk/accelerate this transition.

09 BIOMASS FUELS↗
DOE OSTI2022

SimELIT: A Novel GUI-Based Comprehensive Ion Trajectory Simulation Software for Mass Spectrometry

Ion trajectory simulation in mass spectrometry systems from injection to detection is technically challenging but very important for better understanding the ion dynamics in instrument development. Here, in this work, we present SimELIT (Simulator of Eulerian and Lagrangian Ion Trajectories), a novel ion trajectory simulation platform. SimELIT is built upon a suite of multiphysics solvers compiled into OpenFOAM (an open-source numerical solver library particularly used for computational mechanics), with a simple web-based graphical user interface (GUI) allowing users to define the details of OpenFOAM cases and run simulations. SimELIT is a modular program and can provide extensions of physics (e.g., gas flows, electrodynamic fields) and thus enable ion trajectory simulations from the ion source to detector. The current version (SimELIT) provides two numerical solvers for ion trajectory simulations–(1) a Lagrangian particle tracker in vacuum and (2) a Eulerian ion density solver in background gas in the presence of electric fields. Here, we describe the architecture of SimELIT, including its use of Docker and the React Framework, and demonstrate the computation of ion trajectories of multiple m/z values in a static/linear voltage drop in vacuum (across a 1 m long flight tube). Further, the drift motion of ions under 1 Torr pressure conditions in a static background (N 2 ) gas through a 20 V/cm static electric field is shown. The results produced from SimELIT were compared with SIMION and theoretical estimates. In addition, we report the computation of ion trajectories in electrodynamic fields within a planar FAIMS device operating at atmospheric pressure.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A Scalable Multigrid Reduction Framework for Multiphase Poromechanics of Heterogeneous Media

Simulation of multiphase poromechanics involves solving a multiphysics problem in which multiphase flow and transport are tightly coupled with the porous medium deformation. To capture this dynamic interplay, fully implicit methods, also known as monolithic approaches, are usually preferred. The main bottleneck of a monolithic approach is that it requires solution of large linear systems that result from the discretization and linearization of the governing balance equations. Because such systems are nonsymmetric, indefinite, and highly ill-conditioned, preconditioning is critical for fast convergence. Recently, most efforts in designing efficient preconditioners for multiphase poromechanics have been dominated by physics-based strategies. Current state-of-the-art “black-box” solvers such as algebraic multigrid (AMG) are ineffective because they cannot effectively capture the strong coupling between the mechanics and the flow subproblems, as well as the coupling inherent in the multiphase flow and transport process. In this work, we develop an algebraic framework based on multigrid reduction (MGR) that is suited for tightly coupled systems of PDEs. Using this framework, the decoupling between the equations is done algebraically through defining appropriate interpolation and restriction operators. One can then employ existing solvers for each of the decoupled blocks or design a new solver based on knowledge of the physics. We demonstrate the applicability of our framework when used as a “black-box” solver for multiphase poromechanics. Here, we show that the framework is flexible to accommodate a wide range of scenarios, as well as efficient and scalable for large problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

NED_Asteroid_Energy_Deposition

In the event of a potentially catastrophic asteroid impact, with sufficient warning time, deploying a nuclear device remains a powerful option for planetary defense if a kinetic impactor proves insufficient. Predicting the effectiveness of a potential nuclear deflection or disruption mission depends on accurate multiphysics simulations of the device's x-ray energy deposition into the asteroid and the resulting material ablation. These simulations span many orders of magnitude, require a variety of different complex physics packages, and are computationally expensive. Having an efficient and accurate way of modeling this system is necessary for exploring a mission's sensitivity to the asteroid's range of physical properties. To expedite future simulations, we present a completed x-ray energy deposition model developed using the radiation-hydrodynamics code Kull which can be used to initiate a nuclear mitigation mission hydrocode. The model spans a wide variety of possible mission initial conditions: four different asteroid-like materials (Silicon Dioxide, Forsterite, Iron, and Ice), two different source spectra (1 and 2 keV blackbodies), and then a broad range of radiation fluences (0.0001 to 1 kt per square meter), source durations (10 to 100 ns), and asteroid porosities (0 to 80 percent). Using blowoff momentum as the primary metric, the modelinitiated simulation results match the full radiation-hydrodynamics results to within 10 percent. Please reference the journal article: Burkey et al., X-Ray Energy Deposition Model for Simulating Asteroid Response to a Nuclear Planetary Defense Mitigation Mission, Planetary Science Journal, (2023) for more information.

Managan, RobertA↗
DOE OSTI2023

Usability and Optimization Improvements in MOOSE

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a foundational capability used by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to create over 15 different simulation tools for advanced nuclear reactors. Due to MOOSE’s broad use, improvements to the framework in support of modeling and simulation goals are critical to the program. Such improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work described in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities were implemented in the same order as they are covered in this report: multiple nonlinear systems in the same input file, implementation of generic field transfers and other transfer system enhancements, support for stateful material property redistribution for adaptivity and distributed meshes, and dynamic linking and loading of individually compiled applications. These four additions are fundamental capabilities that will be leveraged by many NEAMS applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Towards verifiable cancer digital twins: tissue level modeling protocol for precision medicine

Cancer exhibits substantial heterogeneity, manifesting as distinct morphological and molecular variations across tumors, which frequently undermines the efficacy of conventional oncological treatments. Developments in multiomics and sequencing technologies have paved the way for unraveling this heterogeneity. Nevertheless, the complexity of the data gathered from these methods cannot be fully interpreted through multimodal data analysis alone. Mathematical modeling plays a crucial role in delineating the underlying mechanisms to explain sources of heterogeneity using patient-specific data. Intra-tumoral diversity necessitates the development of precision oncology therapies utilizing multiphysics, multiscale mathematical models for cancer. This review discusses recent advancements in computational methodologies for precision oncology, highlighting the potential of cancer digital twins to enhance patient-specific decision-making in clinical settings. We review computational efforts in building patient-informed cellular and tissue-level models for cancer and propose a computational framework that utilizes agent-based modeling as an effective conduit to integrate cancer systems models that encode signaling at the cellular scale with digital twin models that predict tissue-level response in a tumor microenvironment customized to patient information. Furthermore, we discuss machine learning approaches to building surrogates for these complex mathematical models. These surrogates can potentially be used to conduct sensitivity analysis, verification, validation, and uncertainty quantification, which is especially important for tumor studies due to their dynamic nature.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

4.0 MOOSE: Enabling massively parallel Multiphysics simulation

Approaching 18 years of existence, MOOSE—the Multiphysics Object-Oriented Simulation Environment—is being developed at a higher pace than ever before. With significant support from four research institutions across the globe, and dozens of new contributors, the capabilities of the framework are being expanded to meet modeling challenges in a wide variety of fields from nuclear system design, to geomechanics, to material science. This includes new development in equation discretization techniques, solver methods, meshing capabilities, application deployment, and user interface improvements. Applications built on MOOSE benefit from all these improvements.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Development of SAM Code Capabilities for Safety Analysis of GCR Air-ingress Events

Air-ingress following a depressurized loss-of-forced-cooling (DLOFC) event is a challenging, multiphysics safety scenario for High-Temperature Gas-Cooled Reactors (HTGRs), involving coupled gas composition transport, buoyancy-driven flow redistribution, graphite oxidation, and structural heat-up. Despite its importance — air ingress is a key scenario identified in the PIRT process for the HTGRs — existing system-level safety codes have lacked the integrated capability to simulate the complete event sequence with high confidence. This report documents the development, validation, and demonstration of three new capabilities in the SAM code to address this gap: (1) a multi-component gas mixture flow model with binary diffusion to track the helium-air composition and its effect on system density and flow; (2) a 0-D graphite oxidation model based on the Roes correlation, including oxygen consumption and exothermic heat release; and (3) an isentropic critical flow model for accurate representation of primary system depressurization through a break. These capabilities are validated against two benchmark experiments. The NSTF heavy-gas ingress experiment validates the multi-component flow model: SAM correctly reproduces the rapid buoyancydriven flow stagnation and subsequent natural circulation recovery driven by composition-dependent density changes. The NACOK graphite oxidation experiment validates the oxidation model: SAM predicts a bottom-level graphite weight loss of 25%, in close agreement with the measured 24%, and reproduces the strong axial nonuniformity and block-geometry dependence of oxidation, at a level comparable to the SPECTRA and TINTE codes. The validated capabilities are then exercised together in an integrated, reactor-scale simulation of a DLOFC air-ingress transient in a simplified HTR-PM pebble-bed reactor. In a single calculation spanning approximately 8 days, SAM reproduces the complete accident sequence: rapid depressurization, densityand diffusion-driven air ingress over ˜15 hours, onset of buoyancy-driven natural circulation, exothermic graphite oxidation with a peak fuel temperature at ˜62 hours, and eventual passive cooldown. These results demonstrate that SAM now provides the nuclear community with a preliminarily validated, modern systemlevel tool for HTGR air-ingress safety analysis, filling a recognized capability gap. Future extensions to broaden species tracking, improve oxidation chemistry, and refine the reactor model are discussed.

Yang, Gang↗
DOE OSTI2023

Cryogenic System Preliminary Design for a 0.5m-Long, Conduction-Cooled Nb3Sn Undulator Magnet Prototype

There are several NbTi superconducting undulator (SCU) magnets currently in operation at the Advanced Photon Source (APS) at Argonne National Laboratory (ANL). The development on Nb3Sn-based superconducting undulator magnets at APS is underway due to the potential to further enhance the performance of the SCUs. Superconducting undulator magnets need to keep temperature gradients minimized in order to retain thermal and operating current margin. We have designed the thermal links for efficient heat conduction using 3D finite element analysis (FEA) simulation in COMSOL Multiphysics software, which was later used for the calculation of the temperature distribution across a 0.5 m long, conduction-cooled, Nb3Sn undulator magnet prototype that includes both conductive heat transfer and radiative heating components. We have modelled the evolution of the thermal properties of the magnet winding as well as other cold parts during cool-down from ambient temperature with the operation of a SHI RDK-415D cryocooler to examine the estimated time that is needed for the cooldown as well as the baseline temperature we could achieve. A key result was that a maximum coil delta T = 0.11 K along the designed thermal links and a temperature range of 3.42 K-3.53 K for the winding were predicted at steady state. A pair of G10 support rods for carrying the magnet as well as a pair of current leads made of metals were also designed and optimized for the testing system, targeting for an operation temperature of 4 K and a coil current of 950 A DC.

Zhang, Danlu↗