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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Cluster Dynamics Simulations of Intra-Granular Fission Gas Bubble Size and Pressure Evolution in UO 2

Fission gases such as xenon (Xe) play a critical role in determining the behavior and response of nuclear fuel. Given that Xe has little solubility in UO 2 , it accumulates and forms bubbles, which significantly impact fuel performance. Intra- and inter-granular bubble nucleation and growth can lead to fuel swelling, and once bubbles interconnect at grain boundaries, fission gas can be released into the plenum. At low temperatures, limited uranium vacancy mobility can restrict swelling, therefore causing the bubbles to become highly pressurized. Consequently, this can induce micro-cracking, promote fission gas release (increasing the likelihood of cladding failure), and even lead to fuel pulverization under accident conditions such as a loss of coolant accident. As bubble evolution is strongly influenced by local temperature and fission rate, markedly different behavior occurs across the radial profile of the fuel pellet. Capturing the mechanisms that underpin bubble evolution is therefore important to predict these behaviors in the fuel. Previous models describing important mechanisms informed by lower length scale simulations have been developed under the NEAMS program. These can describe the evolution of a single bubble type (i.e., single value for radius and pressure) at each position in the pellet, for instance using the Centipede cluster dynamic code. However, in reality, a full distribution in bubble sizes and pressures exists within the microstructure at a given position in the pellet. To address this the cluster dynamics code Xolotl, which can predict Xe and vacancy phase space (i.e., bubble distributions) for intra-granular bubbles, has been used before. Prior work benchmarked the Xolotl code against the Centipede cluster dynamics code to ensure compatibility and to verify that mobile defect properties are adequately transferred between the two codes, along with some physics improvements. In this work, we go further by introducing a physics-based set of improvements that will allow us to accurately predict bubble size distributions and internal bubble pressures under representative UO 2 irradiation conditions. The improvements include (i) coupling bubble-defect reaction energies to a virial equation of state (EOS), (ii) including a bubble surface tension contribution, (iii) incorporating radiation-induced re-solution of Xe and vacancies, (iv) enabling pressure-driven dislocation loop punching through an effective emission of interstitial clusters informed by interstitial loop energetics, (v) accounting for radiation induced athermal diffusion of Xe, and (vi) implementing a Booth-type grain boundary sink representation for all mobile defects and defect clusters. After these modifications, we observe good agreement of Xolotl fission gas bubble size and concentration predictions with legacy experimental measurements. Additionally, it allows the distribution of Xe bubble pressures and radius to also be predicted and compared to data produced through the Advanced Fuels Campaign (AFC) program. Here, we have done this by running simulations under conditions similar to the AFC post-irradiation examination (PIE) samples irradiated at North Anna 2 light water reactor (LWR). Our results shows excellent agreement with these experimental measurements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Concurrent two-way coupling of global and local models across internal boundaries with non-matching discretizations

Coupling local and global models enables efficient simulation of multiscale systems, where global models capture large-scale behavior and local models, with enhanced physics, resolve finer details over a smaller region. Here, this paper presents a mathematically consistent method for coupling physics-based models of varying fidelity across adjacent, non-overlapping subdomains, even when discretizations do not match at the immersed interdomain interfaces. Incompressible Navier-Stokes equations (NSE) constitute the global model while residual-based turbulence model serves as the local high-fidelity model. In addition, a scalar advection-diffusion equation that models the convection of an active scalar field is appended to the turbulence model in the local domain. This scalar field does not have its complement in the global model, giving rise to unequal number of equations at the immersed boundary between local and global models. Interdomain coupling terms are derived via the Variational Multiscale Discontinuous Galerkin (VMDG) method with new developments in scale representation and efficient fine-scale estimation. While transient laminar flows modeled with NSE in the global domain can be resolved with relatively coarse mesh, turbulent flow calculations in the local model require much finer spatial discretizations as well as smaller time-step for appropriately resolving the turbulent flow physics. The proposed framework also accommodates non-matching meshes at the immersed boundaries. Test problems in 2D and 3D numerically showcase the concurrent two-way coupling of unknown fields across the immersed boundaries. The 3D test presents a case with an unequal number of equations, where the scalar field represents the convection of contaminant concentration. This provides more detailed physics in the local region and highlights its application in climate modeling and atmospheric sciences.

Variational Multiscale Discontinuous Galerkin (VMD↗
DOE OSTI2025

Long-term hydro-economic analysis tool for evaluating global groundwater cost and supply: Superwell v1.1

Abstract. Groundwater plays a key role in meeting water demands, supplying over 40 % of irrigation water globally, with this role likely to grow as water demands and surface water variability increase. A better understanding of the future role of groundwater in meeting sectoral demands requires an integrated hydro-economic evaluation of its cost and availability. Yet substantial gaps remain in our knowledge and modeling capabilities related to groundwater availability, recharge, feasible locations for extraction, extractable volumes, and associated extraction costs, which are essential for large-scale analyses of integrated human–water system scenarios, particularly at the global scale. To address these needs, we developed Superwell, a physics-based groundwater extraction and cost accounting model that operates at sub-annual temporal and at the coarsest 0.5° (≈50 km × 50 km) gridded spatial resolution with global coverage. The model produces location-specific groundwater supply–cost curves that provide the levelized cost to access different quantities of available groundwater. The inputs to Superwell include recent high-resolution hydrogeologic datasets of permeability, porosity, aquifer thickness, depth to water table, recharge, and hydrogeological complexity zones. It also accounts for well capital and maintenance costs, as well as the energy costs required to lift water to the surface. The model employs a Theis-based scheme coupled with an amortization-based cost accounting formulation to simulate groundwater extraction and quantify the cost of groundwater pumping. The result is a spatiotemporally flexible, physically realistic, economics-based model that produces groundwater supply–cost curves. We show examples of these supply–cost curves and the insights that can be derived from them across a set of scenarios designed to explore model outcomes. The supply–cost curves produced by the model show that most (90 %) nonrenewable groundwater in storage globally is extractable at costs lower than USD 0.57 m−3, while half of the volume remains extractable at under USD 0.108 m−3. The global unit cost is estimated to range from a minimum of USD 0.004 m−3 to a maximum of USD 3.971 m−3. We also demonstrate and discuss examples of how these cost curves could be used by linking Superwell's outputs with other models to explore coupled human–environmental system challenges, such as water resources planning and management, or broader analyses of multisectoral feedbacks.

Global Change Analysis Model (GCAM)↗
NASA NTRS1995

Computer Model Of Fragmentation Of Atomic Nuclei

High Charge and Energy Semiempirical Nuclear Fragmentation Model (HZEFRG1) computer program developed to be computationally efficient, user-friendly, physics-based program for generating data bases on fragmentation of atomic nuclei. Data bases generated used in calculations pertaining to such radiation-transport applications as shielding against radiation in outer space, radiation dosimetry in outer space, cancer therapy in laboratories with beams of heavy ions, and simulation studies for designing detectors for experiments in nuclear physics. Provides cross sections for production of individual elements and isotopes in breakups of high-energy heavy ions by combined nuclear and Coulomb fields of interacting nuclei. Written in ANSI FORTRAN 77.

Wilson, John W.↗
NASA NTRS2000

Object Based Numerical Zooming Between the NPSS Version 1 and a 1-Dimensional Meanline High Pressure Compressor Design Analysis Code

Within NASA's High Performance Computing and Communication (HPCC) program, NASA Glenn Research Center is developing an environment for the analysis/design of propulsion systems for aircraft and space vehicles called the Numerical Propulsion System Simulation (NPSS). The NPSS focuses on the integration of multiple disciplines such as aerodynamics, structures, and heat transfer, along with the concept of numerical zooming between 0- Dimensional to 1-, 2-, and 3-dimensional component engine codes. The vision for NPSS is to create a "numerical test cell" enabling full engine simulations overnight on cost-effective computing platforms. Current "state-of-the-art" engine simulations are 0-dimensional in that there is there is no axial, radial or circumferential resolution within a given component (e.g. a compressor or turbine has no internal station designations). In these 0-dimensional cycle simulations the individual component performance characteristics typically come from a table look-up (map) with adjustments for off-design effects such as variable geometry, Reynolds effects, and clearances. Zooming one or more of the engine components to a higher order, physics-based analysis means a higher order code is executed and the results from this analysis are used to adjust the 0-dimensional component performance characteristics within the system simulation. By drawing on the results from more predictive, physics based higher order analysis codes, "cycle" simulations are refined to closely model and predict the complex physical processes inherent to engines. As part of the overall development of the NPSS, NASA and industry began the process of defining and implementing an object class structure that enables Numerical Zooming between the NPSS Version I (0-dimension) and higher order 1-, 2- and 3-dimensional analysis codes. The NPSS Version I preserves the historical cycle engineering practices but also extends these classical practices into the area of numerical zooming for use within a companies' design system. What follows here is a description of successfully zooming I-dimensional (row-by-row) high pressure compressor results back to a NPSS engine 0-dimension simulation and a discussion of the results illustrated using an advanced data visualization tool. This type of high fidelity system-level analysis, made possible by the zooming capability of the NPSS, will greatly improve the fidelity of the engine system simulation and enable the engine system to be "pre-validated" prior to commitment to engine hardware.

Follen, G.↗
NASA NTRS2002

Intersymbol Interference Investigations Using a 3D Time-Dependent Traveling Wave Tube Model

For the first time, a time-dependent, physics-based computational model has been used to provide a direct description of the effects of the traveling wave tube amplifier (TWTA) on modulated digital signals. The TWT model comprehensively takes into account the effects of frequency dependent AM/AM and AM/PM conversion; gain and phase ripple; drive-induced oscillations; harmonic generation; intermodulation products; and backward waves. Thus, signal integrity can be investigated in the presence of these sources of potential distortion as a function of the physical geometry and operating characteristics of the high power amplifier and the operational digital signal. This method promises superior predictive fidelity compared to methods using TWT models based on swept- amplitude and/or swept-frequency data. First, the TWT model using the three dimensional (3D) electromagnetic code MAFIA is presented. Then, this comprehensive model is used to investigate approximations made in conventional TWT black-box models used in communication system level simulations. To quantitatively demonstrate the effects these approximations have on digital signal performance predictions, including intersymbol interference (ISI), the MAFIA results are compared to the system level analysis tool, Signal Processing Workstation (SPW), using high order modulation schemes including 16 and 64-QAM.

Kory, Carol L.↗
NASA NTRS2002

Higher Order Modulation Intersymbol Interference Caused by Traveling-wave Tube Amplifiers

For the first time, a time-dependent, physics-based computational model has been used to provide a direct description of the effects of the traveling wave tube amplifier (TWTA) on modulated digital signals. The TWT model comprehensively takes into account the effects of frequency dependent AM/AM and AM/PM conversion; gain and phase ripple; drive-induced oscillations; harmonic generation; intermodulation products; and backward waves, Thus, signal integrity can be investigated in the presence of these sources of potential distortion as a function of the physical geometry and operating characteristics of the high power amplifier and the operational digital signal. This method promises superior predictive fidelity compared to methods using TWT models based on swept-amplitude and/or swept-frequency data. First, the TWT model using the three dimensional (3D) electromagnetic code MAFIA is presented. Then, this comprehensive model is used to investigate approximations made in conventional TWT black-box models used in communication system level simulations, To quantitatively demonstrate the effects these approximations have on digital signal performance predictions, including intersymbol interference (ISI), the MAFIA results are compared to the system level analysis tool, Signal Processing, Workstation (SPW), using high order modulation schemes including 16 and 64-QAM.

Kory, Carol L.↗
NASA NTRS2004

Microgravity Investigation of Crew Reactions in 0-G (MICRO-G)

There is a need for a human factors, technology-based bioastronautics research effort to develop an integrated system that reduces risk and provides scientific knowledge of astronaut-induced loads and motions during long-duration missions on the International Space Station (ISS), which will lead to appropriate countermeasures. The primary objectives of the Microgravity Investigation of Crew Reactions in 0-G (MICRO-GI research effort are to quantify astronaut adaptation and movement as well as to model motor strategies for differing gravity environments. The overall goal of this research program is to improve astronaut performance and efficiency through the use of rigorous quantitative dynamic analysis, simulation and experimentation. The MICRO-G research effort provides a modular, kinetic and kinematic capability for the ISS. The collection and evaluation of kinematics (whole-body motion) and dynamics (reacting forces and torques) of astronauts within the ISS will allow for quantification of human motion and performance in weightlessness, gathering fundamental human factors information for design, scientific investigation in the field of dynamics and motor control, technological assessment of microgravity disturbances, and the design of miniaturized, real-time space systems. The proposed research effort builds on a strong foundation of successful microgravity experiments, namely, the EDLS (Enhanced Dynamics Load Sensors) flown aboard the Russian Mir space station (19961998) and the DLS (Dynamic Load Sensors) flown on Space Shuttle Mission STS-62. In addition, previously funded NASA ground-based research into sensor technology development and development of algorithms to produce three-dimensional (3-0) kinematics from video images have come to fruition and these efforts culminate in the proposed collaborative MICRO-G flight experiment. The required technology and hardware capitalize on previous sensor design, fabrication, and testing and can be flight qualified for a fraction of the cost of an initial spaceflight experiment. Four dynamic load sensors/restraints are envisioned for measurement of astronaut forces and torques. Two standard ISS video cameras record typical astronaut operations and prescribed IVA motions for 3-D kinematics. Forces and kinematics are combined for dynamic analysis of astronaut motion, exploiting the results of the detailed dynamic modeling effort for the quantitative verification of astronaut IVA performance, induced-loads, and adaptive control strategies for crewmember whole-body motion in microgravity. This comprehensive effort, provides an enhanced human factors approach based on physics-based modeling to identify adaptive performance during long-duration spaceflight, which is critically important for astronaut training as well as providing a spaceflight database to drive countermeasure design.

Newman, Dava↗
NASA NTRS2005

Physics-Based Spectra of Accretion Disks around Black Holes

The purpose of this grant was to begin the process of deriving the light output of accretion disks around black holes directly from the actual processes that inject heat into the accreting matter, rather than from guessed dependences of heating rate on physical parameters. At JHU, the effort has focussed so far on models of accretion onto "intermediate mass black holes", a possible class of black holes, examples of which may have recently been discovered in nearby galaxies. There, Krolik and his student (Yawei Hui) have computed stellar atmospheres for uniformly-heated disks around this class of black holes. Their models serve two purposes: they are the very first serious attempts to compute the spectrum from accreting black holes in this mass range; and a library of such models can be used later in this program as contrasts for those computed on the basis of real disk dynamics. The output from these local disk calculations has also been successfully coupled to a program that applies the appropriate relativistic transformations and computes photon trajectories in order to predict the spectrum received by observers located at different polar angles. The principal new result of these calculations is the discovery of potentially observable ionization edges of H-like C and O at frequencies near the peak in flux from these objects. Most of the grant money at UCSB was spent on supporting graduate student Shane Davis. In addition. some money was spent on supporting two other students: Ari Socrates (now a Hubble Fellow at Princeton), and Laura Melling. Davis spent the year constructing stellar atmosphere models of accretion disks appropriate for the high/soft (thermal) state of black hole X-ray binaries. As with AGN models published previously by our collaboration with NASA support. our models include a complete general relativistic treatment of both the disk structure and the propagation of photons from the disk to a distant observer. They also include all important continuum opacity sources, including Compton scattering and bound-free opacity from abundant metal species. The principal new result is that bound-free opacity is very significant in altering the continuum spectral shape, resulting for example in quite different "color correction factors" compared to those predicted previously. In addition, the models predict a relationship between luminosity and inner disk temperature that is, for the first time, in accord with that observed. The primary purpose of the grant was to incorporate more realistic accretion disk physics, learned largely from simulations, into such spectral models. The Davis et al. paper includes consideration of a vertical dissipation profile computed from radiation magneto-hydrodynamic simulations of MRI turbulence by N. J. Turner (2004). So long as the disk is effectively thick, such dissipation profiles do not affect the predicted spectrum significantly. (More work needs to be done on these simulations, however.) A potentially more serious issue is that MRI turbulence produces substantial inhomogeneities, as do photon bubble instabilities. These inhomogeneities can affect the spectra by enhancing the effects of absorption opacity over scattering opacity. We have done some preliminary Monte Carlo calculations to explore these effects.

Krolik, Julian H.↗
NASA NTRS2002

Digital Distortion Caused by Traveling- Wave-Tube Amplifiers Simulated

Future NASA missions demand increased data rates in satellite communications for near real-time transmission of large volumes of remote data. Increased data rates necessitate higher order digital modulation schemes and larger system bandwidth, which place stricter requirements on the allowable distortion caused by the high-power amplifier, or the traveling-wave-tube amplifier (TWTA). In particular, intersymbol interference caused by the TWTA becomes a major consideration for accurate data detection at the receiver. Experimentally investigating the effects of the physical TWTA on intersymbol interference would be prohibitively expensive, as it would require manufacturing numerous amplifiers in addition to acquiring the required digital hardware. Thus, an accurate computational model is essential to predict the effects of the TWTA on system-level performance when a communication system is being designed with adequate digital integrity for high data rates. A fully three-dimensional, time-dependent, TWT interaction model has been developed using the electromagnetic particle-in-cell code MAFIA (Solution of Maxwell's equations by the Finite-Integration-Algorithm). It comprehensively takes into account the effects of frequency-dependent AM (amplitude modulation)/AM and AM/PM (phase modulation) conversion, gain and phase ripple due to reflections, drive-induced oscillations, harmonic generation, intermodulation products, and backward waves. This physics-based TWT model can be used to give a direct description of the effects of the nonlinear TWT on the operational signal as a function of the physical device. Users can define arbitrary excitation functions so that higher order modulated digital signals can be used as input and that computations can directly correlate intersymbol interference with TWT parameters. Standard practice involves using communication-system-level software packages, such as SPW, to predict if adequate signal detection will be achieved. These models use a nonlinear, black-box model to represent the TWTA. The models vary in complexity, but most make several assumptions regarding the operation of the high-power amplifier. When the MAFIA TWT interaction model was used, these assumptions were found to be in significant error. In addition, digital signal performance, including intersymbol interference, was compared using direct data input into the MAFIA model and using the system-level analysis tool SPW for several higher order modulation schemes. Results show significant differences in predicted degradation between SPW and MAFIA simulations, demonstrating the significance of the TWTA approximations made in the SPW model on digital signal performance. For example, a comparison of the SPW and MAFIA output constellation diagrams for a 16-ary quadrature amplitude modulation (16-QAM) signal (data shown only for second and fourth quadrants) is shown. The upper-bound degradation was calculated from the corresponding eye diagrams. In comparison to SPW simulations, the MAFIA data resulted in a 3.6-dB larger degradation.

Kory, Carol L.↗
NASA NTRS2007

Community Coordinated Modeling Center Support of Science Needs for Integrated Data Environment

Space science models are essential component of integrated data environment. Space science models are indispensable tools to facilitate effective use of wide variety of distributed scientific sources and to place multi-point local measurements into global context. The Community Coordinated Modeling Center (CCMC) hosts a set of state-of-the- art space science models ranging from the solar atmosphere to the Earth's upper atmosphere. The majority of models residing at CCMC are comprehensive computationally intensive physics-based models. To allow the models to be driven by data relevant to particular events, the CCMC developed an online data file generation tool that automatically downloads data from data providers and transforms them to required format. CCMC provides a tailored web-based visualization interface for the model output, as well as the capability to download simulations output in portable standard format with comprehensive metadata and user-friendly model output analysis library of routines that can be called from any C supporting language. CCMC is developing data interpolation tools that enable to present model output in the same format as observations. CCMC invite community comments and suggestions to better address science needs for the integrated data environment.

Kuznetsova, M. M.↗
NASA NTRS2007

A Risk-Based Approach for Aerothermal/TPS Analysis and Testing

The current status of aerothermal and thermal protection system modeling for civilian entry missions is reviewed. For most such missions, the accuracy of our simulations is limited not by the tools and processes currently employed, but rather by reducible deficiencies in the underlying physical models. Improving the accuracy of and reducing the uncertainties in these models will enable a greater understanding of the system level impacts of a particular thermal protection system and of the system operation and risk over the operational life of the system. A strategic plan will be laid out by which key modeling deficiencies can be identified via mission-specific gap analysis. Once these gaps have been identified, the driving component uncertainties are determined via sensitivity analyses. A Monte-Carlo based methodology is presented for physics-based probabilistic uncertainty analysis of aerothermodynamics and thermal protection system material response modeling. These data are then used to advocate for and plan focused testing aimed at reducing key uncertainties. The results of these tests are used to validate or modify existing physical models. Concurrently, a testing methodology is outlined for thermal protection materials. The proposed approach is based on using the results of uncertainty/sensitivity analyses discussed above to tailor ground testing so as to best identify and quantify system performance and risk drivers. A key component of this testing is understanding the relationship between the test and flight environments. No existing ground test facility can simultaneously replicate all aspects of the flight environment, and therefore good models for traceability to flight are critical to ensure a low risk, high reliability thermal protection system design. Finally, the role of flight testing in the overall thermal protection system development strategy is discussed.

Wright, Michael J.↗
NASA NTRS2008

Assessment of Microphysical Models in the National Combustion Code (NCC) for Aircraft Particulate Emissions: Particle Loss in Sampling Lines

This paper at first describes the fluid network approach recently implemented into the National Combustion Code (NCC) for the simulation of transport of aerosols (volatile particles and soot) in the particulate sampling systems. This network-based approach complements the other two approaches already in the NCC, namely, the lower-order temporal approach and the CFD-based approach. The accuracy and the computational costs of these three approaches are then investigated in terms of their application to the prediction of particle losses through sample transmission and distribution lines. Their predictive capabilities are assessed by comparing the computed results with the experimental data. The present work will help establish standard methodologies for measuring the size and concentration of particles in high-temperature, high-velocity jet engine exhaust. Furthermore, the present work also represents the first step of a long term effort of validating physics-based tools for the prediction of aircraft particulate emissions.

Wey, Thomas↗
NASA NTRS2010

Microstructure Modeling of Third Generation Disk Alloys

The objective of this program was to model, validate, and predict the precipitation microstructure evolution, using PrecipiCalc (QuesTek Innovations LLC) software, for 3rd generation Ni-based gas turbine disc superalloys during processing and service, with a set of logical and consistent experiments and characterizations. Furthermore, within this program, the originally research-oriented microstructure simulation tool was to be further improved and implemented to be a useful and user-friendly engineering tool. In this report, the key accomplishments achieved during the third year (2009) of the program are summarized. The activities of this year included: Further development of multistep precipitation simulation framework for gamma prime microstructure evolution during heat treatment; Calibration and validation of gamma prime microstructure modeling with supersolvus heat treated LSHR; Modeling of the microstructure evolution of the minor phases, particularly carbides, during isothermal aging, representing the long term microstructure stability during thermal exposure; and the implementation of software tools. During the research and development efforts to extend the precipitation microstructure modeling and prediction capability in this 3-year program, we identified a hurdle, related to slow gamma prime coarsening rate, with no satisfactory scientific explanation currently available. It is desirable to raise this issue to the Ni-based superalloys research community, with hope that in future there will be a mechanistic understanding and physics-based treatment to overcome the hurdle. In the mean time, an empirical correction factor was developed in this modeling effort to capture the experimental observations.

Jou, Herng-Jeng↗
NASA NTRS2011

Multiple Damage Progression Paths in Model-Based Prognostics

Model-based prognostics approaches employ domain knowledge about a system, its components, and how they fail through the use of physics-based models. Component wear is driven by several different degradation phenomena, each resulting in their own damage progression path, overlapping to contribute to the overall degradation of the component. We develop a model-based prognostics methodology using particle filters, in which the problem of characterizing multiple damage progression paths is cast as a joint state-parameter estimation problem. The estimate is represented as a probability distribution, allowing the prediction of end of life and remaining useful life within a probabilistic framework that supports uncertainty management. We also develop a novel variance control mechanism that maintains an uncertainty bound around the hidden parameters to limit the amount of estimation uncertainty and, consequently, reduce prediction uncertainty. We construct a detailed physics-based model of a centrifugal pump, to which we apply our model-based prognostics algorithms. We illustrate the operation of the prognostic solution with a number of simulation-based experiments and demonstrate the performance of the chosen approach when multiple damage mechanisms are active

Daigle, Matthew↗
NASA NTRS2011

Model-Based Diagnostics for Propellant Loading Systems

The loading of spacecraft propellants is a complex, risky operation. Therefore, diagnostic solutions are necessary to quickly identify when a fault occurs, so that recovery actions can be taken or an abort procedure can be initiated. Model-based diagnosis solutions, established using an in-depth analysis and understanding of the underlying physical processes, offer the advanced capability to quickly detect and isolate faults, identify their severity, and predict their effects on system performance. We develop a physics-based model of a cryogenic propellant loading system, which describes the complex dynamics of liquid hydrogen filling from a storage tank to an external vehicle tank, as well as the influence of different faults on this process. The model takes into account the main physical processes such as highly nonequilibrium condensation and evaporation of the hydrogen vapor, pressurization, and also the dynamics of liquid hydrogen and vapor flows inside the system in the presence of helium gas. Since the model incorporates multiple faults in the system, it provides a suitable framework for model-based diagnostics and prognostics algorithms. Using this model, we analyze the effects of faults on the system, derive symbolic fault signatures for the purposes of fault isolation, and perform fault identification using a particle filter approach. We demonstrate the detection, isolation, and identification of a number of faults using simulation-based experiments.

Daigle, Matthew John↗
DOE OSTI2024

Fuel Performance Evaluation of THOR-C Experiments

The Temperature Heatsink Overpower Response Commissioning (THOR-C) and THOR-Metal (THOR-M) experiments will be performed as part of an ongoing project for testing sodium fast reactor fuels with the Japan Atomic Energy Agency (JAEA). The THOR-C experiments consist of fresh metallic fuel pins and have been analyzed using the ABAQUS, Ansys codes and the BISON fuel performance code. THOR-M-Loss of Flow-1 (THOR-M-LOF-1) is designed to test an EBR-II irradiated fuel pin under LOF conditions. Simulation of the THOR-MLOF-1 experiment required first simulating the base irradiation of the fuel pin in EBR-II. MFUEL module of SAS4A/SASSYS-1 [1] is a physics-based metallic fuel performance model applicable to the normal operation, transient scenarios and fuel failure modeling including scenarios with bulk fuel melting. The model has been validated using EBR-II normal operation, separate effect transient tests as well as TREAT M-Series transient tests [2]. In this study, MFUEL models has been utilized together with a new capsule heat transfer model developed in this project. The new heat transfer model was necessary due to (1) significant amount of heat losses that required 2D heat transfer, (2) the presence of a titanium heat sink, rejecting a significant amount of heat, and (3) stagnant coolant conditions, which are inconsistent with SAS4A/SASSYS-1 (SAS) heat transfer model. Updates to SAS4A/SASSYS-1 and MFUEL has been described below, followed by a preliminary validation effort using the results from THOR-C-2 fresh fuel capsule experiment. A previous study for THOR-C-2 analysis using BISON code is also utilized in this study to model this test [3]. [1] D. O’Grady, A. J. Brunett, L. Ibarra, A. Karahan, T. Kim, T. S. Sumner, R. Thomas, T. H. Fanning, “The SAS4A/SASSYS-2 Version 5.7 Safety Analysis Code System,” Argonne National Laboratory,ANL/NSE-SAS/5.7, (2023). [2] A. Karahan, T. Kim, T. Fanning, D. O’Grady, “Validation of MFUEL Metal Fuel Performance Models of SAS4A/SASSYS-1,” Argonne National Laboratory, ANL/NSE-23/11, (2023). [3] M. Mihelish, A. Zabriskie, K. Paaren, P. Medvedev, C. Jensen, “Fuel Performance Predictions for the TREAT THOR-C Experiments,” Idaho National Laboratory, INL/RPT-23-73397, Revision 0, (2023)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Computational Modeling of Molten Salt Infiltration and Oxidation in Nuclear Graphite

Graphite is utilized as a moderator and reflector in advanced nuclear reactor designs due to its high thermal conductivity, neutron moderation properties, and resistance to radiation damage. However, its longterm performance and reliability are challenged by degradation mechanisms such as molten salt infiltration in molten salt reactors (MSRs) and oxidation in gas-cooled reactors (GCRs). These mechanisms can compromise the structural integrity and operational lifetime of graphite components, necessitating a more detailed assessment of their physical behavior. This report focuses on the development of computational models for molten salt infiltration and oxidation of graphite to aid the design and performance analysis of graphite components. For molten salt infiltration, a computational framework is developed that couples incompressible Navier-Stokes and phase-field model to simulate the penetration of molten salt into graphite?s interconnected pore structure. Initial model verification is performed using two-phase flows in two dimensions, demonstrating the models ability to capture fundamental physical behavior and agree with analytical solution. This framework is then applied to a realistic IG110 nuclear graphite , where a computed tomography extracted pore geometry is used to analyse the infiltration behavior of FLiNaK molten salt. This model provides insights into how the microstructure and other relevant parameters influence the transport pathways of molten salt into graphite, potentially offering a means to rapidly evaluate a graphite grade?s resistance to infiltration. For oxidation, the report details pore-scale mass and heat transport models, describing the diffusion of gases, reaction kinetics, and thermal effects. Additionally, this report highlights inconsistencies in the existing volume-averaged macroscopic model, particularly in upscaling of reaction kinetics and flux terms, and surface to volume transformations. These inconsistencies suggest that current formulations may not accurately capture the experimentally observed graphite oxidation process, highlighting the need for improved model development. This work advances the development of physics-based computational models for graphite degradation, contributing to improved predictive models for next-generation nuclear reactor designs. Future efforts will focus on refining the infiltration model to address non-physical behaviors and enhance its robustness. Additionally, for oxidation, further studies will employ the principles of volume averaging to rigorously derive the upscaled equations, potentially in collaboration with subject matter experts.

Computational Modeling of Molten Salt Infiltration↗