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DOE OSTI2024

Application of Weak-Beam Dark-Field STEM for Dislocation Loop Analysis

Nanoscale dislocation loops formed by irradiation can significantly contribute to both irradiation hardening and embrittlement of materials when subjected to extreme nuclear reactor environments. Here, this study explores the application of weak-beam dark-field (WBDF) scanning transmission electron microscopy (STEM) methods for quantitative irradiation-induced defect analysis in crystalline materials, with a specific focus on dislocation loop imaging and analysis. A high-purity Fe-5 wt% Cr model alloy was irradiated with 8 MeV Fe 2+ ions at 450°C to a fluence of 8.8 × 10 19 m -2 , inducing dislocation loops for analysis. While transmission electron microscopy (TEM) has traditionally been the primary tool for dislocation imaging, recent advancements in STEM technology have reignited interest in using STEM for defect imaging. This study introduces and compares three WBDF STEM methods, demonstrating their effectiveness in suppressing background contrasts, isolating defect information for dislocation loop type classification, providing finer dislocation line images for small loop analysis, and presenting inside–outside contrast for identifying loop nature. Experimental findings indicate that WBDF STEM methods surpass traditional TEM approaches, yielding clearer and more detailed images of dislocation loops. The study concludes by discussing the potential applications of WBDF STEM techniques in defect analysis, emphasizing their adaptability across various material systems beyond nuclear materials.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Aqueous-phase effects on ethanol decomposition over Ru-based catalysts

The effects of an aqueous phase on ethanol decomposition for hydrogen production over a Ru(0001) catalyst surface model have been investigated from first principles. Solvent effects on the reaction mechanism and kinetic parameters have been quantified with the help of a microkinetic reactor model, density functional theory, and an implicit solvation scheme (iSMS). Our calculations indicate that in both vapor- and aqueous-phase reaction environments, the ethanol decomposition starts with acetaldehyde formation on the surface, some of which further dehydrogenates to ketenyl species (CHCO), where the C–C bond cleaves to form methylidyne (CH) and CO. In the vapor phase, adsorbed CH gets hydrogenated to methane, and CO desorbs or undergoes methanation reducing the amount of hydrogen produced. In contrast, under aqueous phase reaction conditions, the methanation is inhibited, and the water–gas shift (WGS) reaction is accelerated, leading to complete conversion of CO to CO 2 and H 2 . Furthermore, calculations indicate that the observed reaction behavior under aqueous phase reforming conditions originates primarily from the higher water chemical potential, and implicit solvent models predict only a small solvation effect.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1989

Coded-aperture imaging in nuclear medicine

Coded-aperture imaging is a technique for imaging sources that emit high-energy radiation. This type of imaging involves shadow casting and not reflection or refraction. High-energy sources exist in x ray and gamma-ray astronomy, nuclear reactor fuel-rod imaging, and nuclear medicine. Of these three areas nuclear medicine is perhaps the most challenging because of the limited amount of radiation available and because a three-dimensional source distribution is to be determined. In nuclear medicine a radioactive pharmaceutical is administered to a patient. The pharmaceutical is designed to be taken up by a particular organ of interest, and its distribution provides clinical information about the function of the organ, or the presence of lesions within the organ. This distribution is determined from spatial measurements of the radiation emitted by the radiopharmaceutical. The principles of imaging radiopharmaceutical distributions with coded apertures are reviewed. Included is a discussion of linear shift-variant projection operators and the associated inverse problem. A system developed at the University of Arizona in Tucson consisting of small modular gamma-ray cameras fitted with coded apertures is described.

Smith, Warren E.↗

DOE OSTI2022

Modeling of deposit formation in mesoporous substrates via atomic layer deposition: Insights from pore‐scale simulation

Atomic layer deposition (ALD) has been a promising technique in fabricating membranes and tuning their properties with a precision at the atomic level. Fabrication of zeolitic imidazolate framework (ZIF) membranes using the ligand-induced permselectivation (LIPS) method starts with the formation of an oxide in a mesoporous substrate by ALD and is followed by the transformation of this oxide to ZIF using imidazolate vapor treatment. The objective of the ALD step is to block the mesopores with a thin deposit, that is, one with small penetration depth and small thickness on the top surface of the substrate. Unlike typical ALD on nonporous substrates, where all available sites react per ALD cycle, thin deposit formation in a mesoporous substrate requires that only a small fraction of the available deposition sites (i.e., close to the substrate surface) is subjected to ALD. Consequently, reactant dosing and duration of pulses are important process variables which, together with diffusion and reaction kinetics determine the deposit structure. Quantitative understanding of the interplay of these variables and phenomena can enable the rational design of ALD within mesoporous substrates. Here, we extend our earlier modeling effort considering the coexistence of ALD both inside the pores and on the external surface of the substrate. Finite-volume based models were developed and validated to simulate the two distinct modes of deposition cycle by cycle. The total mass uptake of the substrate with ALD cycles can be predicted using the combined surface deposition and pore reaction–diffusion models as affirmed by in situ quartz crystal microbalance experimental data. The ALD reactor model combined with the deposition model can accurately capture the number of ALD cycles needed to block the pores of the substrate. Based on the model, we designed a modified ALD process and examined the performance of the corresponding LIPS membranes. Furthermore, the present modeling work provides a new understanding of the deposit formation via ALD within mesoporous substrates for a variety of membrane applications.

atomic layer deposition↗

DOE OSTI2020

Optimizing Ammonia Separation via Reactive Absorption for Sustainable Ammonia Synthesis

Metal halide salts such as magnesium chloride have been shown to be promising candidates for ammonia storage materials for energy storage and agriculture applications due to their ability to incorporate several moles of ammonia per mole of salt. Ammonia exiting a synthesis reactor can be separated from nitrogen and hydrogen by absorption into magnesium chloride. Such an absorption can be more complete and hotter than separation via ammonia condensation, the current standard in the Haber–Bosch process. Here, we discuss the optimal conditions for the cyclic uptake and release of ammonia from the supported magnesium chloride absorbents. An automated system was designed for measuring the nonequilibrium working capacity of the absorbent, as well as the impact of important operating conditions such as absorption and desorption temperature, pressure, and desorption time. Measurements of absorption and desorption kinetics provide insight into the mechanisms involved. The temperatures and pressures during absorption and desorption were designed to use minimal energy input to maximize the uptake and release of ammonia within a reasonable amount of time. In a laboratory-scale bed, absorption has a small unused bed length, so it is largely independent of mass transfer; it is dominated by how fast ammonia is fed to the bed. Yet, desorption is restricted both by the speed of heating the bed and by diffusion out of the absorbent. These measurements provide guidelines for ammonia separations and cycling sorbent materials on a larger scale.

10 SYNTHETIC FUELS↗

DOE OSTI2022

Post-Irradiation Fracture Toughness Characterization of Generation II FeCrAl Alloys

FeCrAl alloys are promising candidate materials for the accident tolerant fuel (ATF) cladding application due to their exceptional resistance to oxidation in elevated temperature steam environments. Currently, limited fracture toughness data are available for the FeCrAl alloys, including the FeCrAl alloys newly developed at Oak Ridge National Laboratory (ORNL) under the U.S. Department of Energy’s Advanced Fuels Campaign (AFC) program. In this study, two Generation II candidate FeCrAl alloys, i.e., C06M (81.8Fe-10Cr-6Al-0.03Y-2Mo-0.2Si) and C36M (78.8Fe-13Cr-6Al-0.03Y-2Mo-0.2Si), were irradiated in the High Flux Isotope Reactor (HFIR) at ORNL to assess the fracture characteristics of these alloys after neutron irradiation. A total of six rabbit capsules were irradiated in HFIR at target temperatures of 200°C, 330°C, and 500°C up to target damage doses of 8 displacements per atom (dpa) and 16 dpa. Post-irradiation fracture toughness testing was performed following the Master Curve method in the ASTM E1921 standard. The main findings of this study are:1) Both the C06M and C36M alloys exhibited a similar response to irradiation concerning irradiation hardening and embrittlement.2) The irradiation temperature played different roles in terms of irradiation hardening and embrittlement for both C06M and C36M: after irradiation between 166°C and 204°C, both materials exhibited significant irradiation hardening and embrittlement; after irradiation between 315°C and 343°C, both materials showed small irradiation hardening without irradiation embrittlement. After irradiation between 501°C and 507°C, however, the irradiation softening without irradiation embrittlement was observed in both materials.3) Comparing the microhardness and Master Curve reference temperature T0q before and after neutron irradiation, we did not observe a linear correlation between the two parameters for both C06M and C36M steels. This should be mainly due to a flat response of the Master Curve reference temperature T0q to the irradiations at 166–204°C and 315–343°C ranges4) C06M showed a lower T0q, meaning better toughness, than C36M at the unirradiated condition, and such trend was kept even after neutron irradiation except for the 166–204°C irradiation after which both materials had similar T0q.5) In terms of hardening and embrittlement, the irradiation effect on both C06M and C36M appeared to saturate after an irradiation dose of 7 dpa.

Chen, Xiang↗

DOE OSTI2025

A critical review of the history of fabricating monolithic U-Mo fuel plates

The fabrication of monolithic uranium-molybdenum alloy fuels, specifically those developed for high-performance research and test reactors, began in the early 2000s. The primary fuel form consists of uranium alloyed with 10-wt% molybdenum in a thin foil coated with zirconium and encapsulated in aluminum-6061 cladding. Over the years, the process has evolved with different types of casting, heat treatments, rolling schedules, and cladding applications. This review examines the history of these fabrication processes and their impact on microstructure and fuel-swelling performance. Even though various fabrication methods were used, we found little correlation between fabrication variation and fuel swelling. This insensitive relationship between fabrication variation and fuel swelling is primarily due to inhomogeneous microstructures that formed during casting and grain refinement that occurred during rolling. We conclude that the fabrication processes we examined produced similar microstructures, indicating that the fuel microstructure is somewhat insensitive to the fabrication parameters evaluated. However, the relatively small amount of historic data, such as those for grain sizes, limited this analysis. More recently fabricated materials, such as those from ongoing irradiation experiment, Mini-Plate-1 and Mini-Plate-2, were also excluded from this analysis and are intended to be reviewed separately. The findings, that fuel microstructure is somewhat insensitive to the fabrication parameters, do not imply that any fabrication method is acceptable, given the uncertainties in data and fuel-swelling observations. For example, only arc melting and vacuum induction melting casting processes were previously explored in the historic fabrication efforts. In conclusion, the findings should not be extrapolated to other casting processes.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Self-consistent core-pedestal ITER scenario modeling

The purpose of these integrated ITER simulations is to identify dependencies that can impact the performance of ITER. The dependence of fusion power production, temperature and density pedestals, and core profiles on varying magnetic-q, edge density fueling strength, neoclassical transport, magnetic field strength, and alpha heating, are examined. It is noted that ion modes usually dominate the interior, while electron modes dominate the barrier. The electron mode without flow shear is substantially stronger. The q increase tends to cause more kinetic ballooning modes at the edge and the q decrease means that the peeling is getting worse, but the ballooning is getting better. The large edge q tends to provide hollow density while small edge q gives normal density profile. This is consistent with the observation that the density of particles is inversely proportional to the density of the plasma current. The rise in the source of the edge particle increases the density of the edge and the reaction rate close to the edge increases temperature fluxes, resulting in weak pedestal barriers. When neoclassical transport is turned off or the strength of B-field is increased, the pronounced edge barriers are identified. In addition, a distinct effect on the magnetohydrodynamic (MHD) modes is observed due to the increased B-field. The interesting aspect is that the barrier collapses about q = 2 as the stability of MHD has decreased to replace the barrier with a continuous slope but with roughly the same fusion power. This would actually be good for a reactor. The slope of the H-mode pedestal is found to be reduced due to the alpha heating. It is expected that the problem of edge-localized modes causing damage to the first wall will be eased. The effects of circular, elongated, and general geometry on plasma profiles are also compared and contrasted. The circular geometry has a hollow density profile and no edge or internal thermal transport barrier (ETB or ITB). However, both ETBs and ITBs can be found in the elongated geometry. In general geometry, there is a weaker ETB, comparable ITBs, but a higher edge particle transport barrier than in elongated geometry. Higher density near the edge, on the other hand, causes more wall erosion, so elongated geometry might be the best option.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1989

M.I.N.G., Mars Investment for a New Generation: Robotic construction of a permanently manned Mars base

A basic procedure for robotically constructing a manned Mars base is outlined. The research procedure was divided into three areas: environment, robotics, and habitat. The base as designed will consist of these components: two power plants, communication facilities, a habitat complex, and a hangar, a garage, recreation and manufacturing facilities. The power plants will be self-contained nuclear fission reactors placed approx. 1 km from the base for safety considerations. The base communication system will use a combination of orbiting satellites and surface relay stations. This system is necessary for robotic contact with Phobos and any future communication requirements. The habitat complex will consist of six self-contained modules: core, biosphere, science, living quarters, galley/storage, and a sick bay which will be brought from Phobos. The complex will be set into an excavated hole and covered with approximately 0.5 m of sandbags to provide radiation protection for the astronauts. The recreation, hangar, garage, and manufacturing facilities will each be transformed from the four one-way landers. The complete complex will be built by autonomous, artificially intelligent robots. Robots incorporated into the design are as follows: Large Modular Construction Robots with detachable arms capable of large scale construction activities; Small Maneuverable Robotic Servicers capable of performing delicate tasks normally requiring a suited astronaut; and a trailer vehicle with modular type attachments to complete specific tasks; and finally, Mobile Autonomous Rechargeable Transporters capable of transferring air and water from the manufacturing facility to the habitat complex.

Amos, Jeff↗

DOE OSTI2020

Data Collection and Analysis Challenges and Mitigation Strategies for Quantitative Human Factors Research Studies in Nuclear Power Plant Modernization

The United States (U.S.) Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) program Plant Modernization Pathway is conducting targeted research and development (R&D) to address aging and reliability concerns with the legacy instrumentation and control and related information systems of the U.S. LWR fleet. In this effort, the application of human factors engineering (HFE) provides an important role in ensuring new digital plant technologies enable broad innovation and business improvement with continued operational safety. Evaluation is a key activity in HFE, which often occurs iteratively through the system design lifecycle. While qualitative methods are important in collecting information of how users perform tasks through observations, quantitative methods are equally important in assessing system design based on performance. In collecting and analyzing this quantitative data, there are notable challenges in the nuclear HFE domain that may threaten the validity and reliability of the inferences made in these studies. Notable challenges include small sample size and limited resources, large error variance and small effect size, an “adding test features to losing degrees of freedom” dilemma, non-normal distribution, and heterogeneity of variance. The results in control room usability studies are often statistically non-significant, which makes it hard to interpret. This work discusses these challenges across different scientific viewpoints and provides real-world examples of these challenges in practice. Collectively, the objective of this work is to position these challenges to the larger data science community as a means of identifying future opportunities to address these issues.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2020

Neutronic impact of Autonomous Reactivity Control system inclusion in a breed-and-burn core

This work examines the impacts induced in a large breed-and-burn core through the inclusion of Autonomous Reactivity Control (ARC) systems from the neutronics perspective. A combination of numerical and analytical techniques are used to conservatively quantify the reactivity penalty, amount of additional tritium production, and depletion of the system absorber fluid. The reactivity penalty is found to be negligibly small, with the largest impact resulting from the removal of fuel material to make room for the ARC system tubes. Similarly, the depletion of the absorber fluid is found to be negligible compared to the amount of fluid present. It is found that the production of tritium within the active core is also small in comparison to that which is nominally produced, while tritium production within the lower ARC system reservoir may be of concern if not adequately considered during the assembly design phase. This issue is explored and a mitigation technique is proposed. Ultimately this study concludes that there are no issues from the steady-state neutronics perspective preventing incorporation of ARC systems into typical breed-and-burn cores.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Machine learning molecular dynamics simulations toward exploration of high-temperature properties of nuclear fuel materials: case study of thorium dioxide

Predicting materials properties of nuclear fuel compounds is a challenging task in materials science. Their thermodynamical behaviors around and above the operational temperature are essential for the design of nuclear reactors. However, they are not easy to measure, because the target temperature range is too high to perform various standard experiments safely and accurately. Moreover, theoretical methods such as first-principles calculations also suffer from the computational limitations in calculating thermodynamical properties due to their high calculation-costs and complicated electronic structures stemming from f-orbital occupations of valence electrons in actinide elements. Here, we demonstrate, for the first time, machine-learning molecular-dynamics to theoretically explore high-temperature thermodynamical properties of a nuclear fuel material, thorium dioxide. The target compound satisfies first-principles calculation accuracy because f-electron occupation coincidentally diminishes and the scheme meets sampling sufficiency because it works at the computational cost of classical molecular-dynamics levels. We prepare a set of training data using first-principles molecular dynamics with small number of atoms, which cannot directly evaluate thermodynamical properties but captures essential atomistic dynamics at the high temperature range. Then, we construct a machine-learning molecular-dynamics potential and carry out large-scale molecular-dynamics calculations. Consequently, we successfully access two kinds of thermodynamic phase transitions, namely the melting and the anomalous λ transition induced by large diffusions of oxygen atoms. Furthermore, we quantitatively reproduce various experimental data in the best agreement manner by selecting a density functional scheme known as SCAN. Our results suggest that the present scale-up simulation-scheme using machine-learning techniques opens up a new pathway on theoretical studies of not only nuclear fuel compounds, but also a variety of similar materials that contain both heavy and light elements, like thorium dioxide.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Development of an Ultrahigh-bandwidth Phase Contrast Imaging System for detection of electron scale turbulence and Gigahertz Radio-Frequency Waves

The study of waves and turbulence is vital to the development of future reactor-grade plasma devices developed in the quest for fusion energy. These fluctuations are responsible for moving heat and particles across the magnetic field, and a predictive understanding of them is needed to achieve the density and temperature required to sustain a plasma fusion reaction. While many techniques have been developed for measuring waves and fluctuations, every measurement method has limitations. There are relatively few techniques for measuring very high frequency fluctuations, such as radio frequency waves injected to heat the plasma, unstable waves driven by suprathermal particles, or short wavelength electrostatic waves driven by electron temperature or density gradients. The present project builds upon the proven phase contrast imaging (PCI) technique to extend the response of the diagnostic by orders of magnitude in frequency and almost a factor of ten in spatial resolution. PCI provides a measurement of electron density based on small angle scattering of a CO-2 laser beam by using optical techniques to render a phase shift as an intensity change on a detector. Due to the telecommunications revolution, technological development by manufacturers has focused on components in the near -infrared, so that high- quality lasers and detectors at 1.55 µm are readily available. Shifting PCI design to a new, shorter wavelength has numerous advantages and challenges. Similar detector performance is available with room-temperature arrays with GHz bandwidth, while the detector arrays for 10.6 µm required liquid nitrogen cooling and were therefore limited to a bandwidth of about 1 MHz. Shifting to a shorter wavelength reduces the angle at which the laser beam scatters off of plasma waves, allowing more such scattered components to pass through the aperture of the vacuum vessel port and be collected by the PCI, which increases the spatial resolution. Concomitant with these benefits, various questions of performance arise. At shorter laser wave- length, the sensitivity to mirror and lens quality is increased, the contribution of the laser to the overall system noise is increased, and the sensitivity to vibrations is increased. The custom optical components at the heart of the PCI technique were required to be properly scaled for the shorter wavelength, so fabrication technologies needed to be explored. This project was designed to show that a low noise, high response PCI system at 1.55 µm could be constructed and operated, and then to quantify potential issues to allow extrapolation to a full-size production system providing physics measurements on a large plasma device. The first stage, producing the custom optical component called a Phase Plate, was successfully achieved using two methods. First, an easily reproduced masking and coating technique was able to produce good phase plates with the required parameters. Second, a nanofabrication technique was found to produce extremely high quality phase plates at a competitive price. The PCI constructed with the new phase plates and 1.55 µm laser was found to provide excellent wavelength measurements with the theoretically expected response. The sensitivity to optical surface quality was found to be in line with previous measurements at 10.6 µm. The observed signal-to-noise ratio was similar to the theoretically expected value. The effect of vibrations on PCI was studied with the first measurement of the effect of beam motion on PCI response and comparison to theory, allowing for a quantitative prediction of the effect of vibrations on a production PCI system and the requirements for improved beam stabilization. PCI is an extremely cost-effective method to provide a low noise, absolutely calibrated measurement of plasma fluctuations across a wide spatial scale. This project has shown that a 1.55 µm PCI using modern techniques and components is less expensive than the 10.6 µm PCI of a few years ago, with the largest savings in phase plate fabrication and the infrared detector array.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1995

Safety analysis

We are engaged in a research program in safety-critical computing that is based on two case studies. We use these case studies to provide application-specific details of the various research issues, and as targets for evaluation of research ideas. The first case study is the Magnetic Stereotaxis System (MSS), an investigational device for performing human neurosurgery being developed in a joint effort between the Department of Physics at the University of Virginia and the Department of Neurosurgery at the University of Iowa. The system operates by manipulating a small permanent magnet (known as a 'seed') within the brain using an externally applied magnetic field. By varying the magnitude and gradient of the external magnetic field, the seed can be moved along a non-linear path and positioned at a site requiring therapy, e.g., a tumor. The magnetic field required for movement through brain tissue is extremely high, and is generated by a set of six superconducting magnets located in a housing surrounding the patient's head. The system uses two X-ray cameras positioned at right angles to detect in real time the locations of the seed and of X-ray opaque markers affixed to the patient's skull. the X-ray images are used to locate the objects of interest in a canonical frame of reference. the second case study is the University of Virginia Research Nuclear Reactor (UVAR). It is a 2 MW thermal, concrete-walled pool reactor. The system operates using 20 to 25 plate-type fuel assemblies placed on a rectangular grid plate. There are three scramable safety rods, and one non-scramable regulating rod that can be put in automatic mode. It was originally constructed in 1959 as a 1 MW system, and it was upgraded to 2 MW in 1973. Though only a research reactor rather than a power reactor, the issues raised are significant and can be related to the problems faced by full-scale reactor systems.

Knight, John C.↗

DOE OSTI2021

Markets and Economic Requirements for Fission Batteries and Other Nuclear Systems

Fission Batteries (FBs) are nuclear reactors defined by five characteristics which enable large-scale deployment: cost competitive, standardized sizes for economic mass production, easy installation and removal, secure and safe unattended operation with high reliability. FBs are not defined by technology or power level. Technical and market considerations suggest that most FBs will produce 20 to 30 MWt. This proceedings reports on the outcomes of two workshops that were held in January 2021 to better define markets and economic challenges for FBs. Three major markets were identified. The largest market is the industrial and commercial heat market. There are about 4000 industrial users (excluding utilities) that require more than one megawatt of heat. The number of customers versus size of heat demand was determined. In a low-carbon world there is the potential for many additional customers—including expanded biofuels production and district heat. The second market is for non-grid electricity. This includes co-generation plants that produce heat and electricity for a single customer. The third market is the maritime market with ~100,000 ships worldwide. In the United States, natural gas is the low-cost energy option today and will remain so unless constraints or taxes impact its use. If restrictions on greenhouse gas emissions, the FB competition includes natural gas with carbon capture, biofuels, hydrogen and grid electricity. Natural gas with carbon capture is not economically viable on a small scale. Biofuels may be expensive but may be the economically preferred option for locations with small energy demands of a few megawatts. Hydrogen is a potential competitor with many of the characteristics of natural gas. Grid electricity is not a competitive source of heat. For FBs to be economically competitive, the price of delivered heat must be $20-50/MWh ($6-15/million BTU). The economically competitive range for non-grid electricity is estimated at $70-100/MWh. These electricity prices are competitive with the retail prices of electricity in many parts of the United States for the customer. FBs are not expected to be competitive selling wholesale electricity to the grid. To achieve the aforementioned cost targets for heat and electricity markets, FB designers must (1) maximize the power output within the constraints of a FB (e.g., truck transportability, passive decay heat removal), (2) drastically reduce the size of onsite staff, (3) adopt core designs with low fuel costs (enrichment and fabrication), and (4) develop a system design that is efficiently manufactured in factories. The business case depends upon more than being just a replacement for natural gas. The largest incentives for adoption of FBs is where they create new markets and new sources of revenue. An example is the paper and pulp industry that burns biomass wastes to provide heat and electricity to make paper. An external heat source could meet the demand for heat and electricity by the paper process and enable converting waste biomass into liquid biofuels rather than burning to provide heat. Other markets, such as data centers, are driven by special energy requirements such as extreme reliability. Most customers are not in the energy business but need heat and electricity to produce a product—a manufactured good, education, retail sales (shopping malls), marine transport or some other product. As a consequence, there will be large incentives to lease rather than own FBs. Leasing avoids the regulatory challenges that remain with the owner of the FB. Leasing creates large incentives for FP standardization of sizes and transportability to maintain the value of the FB at the end of the lease—similar to the leasing of jet engines and aircraft. The economic constraints combined with technical constraints suggest competitive FBs will likely have outputs exceeding 10 MWt. There appear to be little incentives for very long-lived reactor cores because such machines require much larger inventories of fuel. Maintenance requirements and the options to provide technology updates may favor shorter lifetimes (~5 years). The assessment is that there is the potential for FBs to be economically viable and play a major role in global decarbonization in three markets: heat, non-grid electricity and maritime applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Mechanistic nuclear fuel performance modeling of uranium nitride

Uranium mononitride (UN) is a nuclear fuel candidate for advanced reactor designs and an alternative being considered for light water reactors due to its higher thermal conductivity and uranium density than UO 2 . As with any nuclear fuel, swelling and fission gas release are important factors for safety, while also being some of the hardest phenomena to predict with a high degree of confidence. Getting a grasp on the gas swelling behavior and release is crucial to lower the barrier for UN utilization. An accelerated swelling rate at high temperatures observed experimentally, sometimes referred to as “breakaway swelling,” further complicates the prediction of fuel performance of UN. A mechanistic model has been developed using a multiscale approach to describe the intragranular and intergranular fission gas behavior. Lower-length-scale calculations have been employed to inform models of the gas and self-diffusion behavior, resolution rate, and bubble shape. Leveraging previous work on high burnup UO 2 , two populations of intragranular bubbles are considered; small bulk bubbles and larger bubbles located along dislocations. The dislocation bubbles were found to be crucial to the overall swelling behavior, and the breakaway swelling transition was associated with the transition in the gas atom diffusion mechanism from an irradiation-induced athermal diffusion regime at lower temperatures to an intrinsic thermal equilibrium regime at higher temperatures, accelerating the growth of the dislocation bubbles. Similarly, the threshold for fission gas release was associated with the grain boundary vacancy diffusivity surpassing the gas atom diffusivity at sufficiently high temperatures, allowing the over-pressurized grain boundary bubble to grow in size and interconnect. Using thermo-mechanical models with the fission gas model, two integral fuel pin assessment cases were simulated. Finally, this work demonstrates the ability of a multiscale approach to accelerate the understanding of advanced fuel forms when experimental data is limited.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Extended-MHD simulations of disruption mitigation via massive gas injection in SPARC

Recent developments to the M3D-C1 code enable higher fidelity modeling of disruptions, and can be applied in the design verification of reactor-scale tokamaks. Among these new capabilities is a method to mesh conducting vessel structures such as coils and passive plates, packing of the toroidal mesh around gas injectors, as well as anisotropic resistivity inside the vessel structures. We present extended-magnetohydrodynamic (MHD) simulations of disruption mitigation via massive gas injection (MGI) in SPARC. The goal of this study is to inform the disruption mitigation layout of SPARC and aid in the design of an effective gas injector configuration. Fully three-dimensional simulations with M3D-C1 are carried out for various injector configurations with the primary goal of determining the effect of different MGI parameters on heat loads and vessel forces. The simulations include a model for impurity ionization, recombination, advection and radiation, as well as spatially resolved conducting structures around the plasma. A localized mixture of deuterium and neon with a small toroidal and poloidal width is injected in up to six locations. We demonstrate that M3D-C1 can model a rapid shutdown via MGI using narrow and more realistic gas plumes than in previous simulations. As a result of the q = 1 surface in the SPARC baseline case a sawtooth is observed early in the simulations. Despite the sawtooth and the onset of edge MHD instabilities, the impurity distribution remains localized around the injector locations, but enables a radiative shutdown of the plasma. We find that using the maximum of six gas injectors results in a lower peaking factor and leads to a more even distribution of radiation toroidally than using two injectors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

The use of D–D reactions to diagnose the lifetime of spin polarized fuel

If the nuclei remain polarized, spin polarized fuel can increase the fusion power produced in a reactor while using less fuel. This study assesses whether reactions between an unpolarized deuterium (D) beam and polarized deuterium nuclei can in principle experimentally ascertain the persistence of nuclear polarization in a magnetic fusion experiment. The differential cross section for D–D reactions between unpolarized and polarized nuclei depends upon polarization, so the polarization state can be inferred from measurements of the D–D fusion products. An evaluation is performed for 3 MeV proton detection in the DIII-D tokamak using 81 keV neutral beams and polarized target fuel injected as a pellet. Measurement of the escaping proton pitch v 3 ∥ v 3 is insensitive to the degree of polarization but energy-resolved measurements are sensitive. The sensitivity is comparable for different angles of beam injection. Because the D–D reaction rate is large for this scenario, uncertainties associated with counting statistics are small, making inference of the polarization feasible with current technology.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗