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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

Hydrazine Conservation for the Dawn Spacecraft Operations at the Dwarf Planet Ceres

Dawn is a low-thrust interplanetary spacecraft currently orbiting the dwarf planet Ceres. After successfully completing its Vesta and Ceres prime missions, Dawn is now in its extended mission, continuously exploring Ceres. After losing the second reaction wheel assembly at the end of the Vesta mission, the feasibility of the Ceres mission was at risk due to the potentially significant increase in hydrazine consumption from using only the reaction control system thrusters. This paper summarizes the intense, collaborative efforts undertaken by the project to conserve hydrazine prior to Vesta departure, during cruise to Ceres, and throughout the Ceres mission. The project’s efforts in minimizing the number of turns are discussed. A special emphasis is given to describing various efforts taken by the Attitude Control Subsystem team in an attempt to reduce hydrazine consumption. These efforts include: changing default slew rates, control gain tuning, changing nadir pointing strategy with Ahead Cross Nadir pointing, hybrid control implementation using hydrazine based thrusters and two remaining reaction wheels, optimal science turn location analysis, and reaction wheel angular momentum management strategies for reducing the number of momentum unloadings. In addition to the Attitude Control Subsystem team’s efforts, the Mission Design and Navigation team’s efforts taken in designing hydrazine friendly orbit transfers are discussed. The trade study performed collaboratively by the Attitude Control Subsystem team and the Science Operations Support Team in choosing hydrazine friendly off-nadir targets is also discussed. Various simulation results are presented and compared against actual flight data obtained. Lastly, remaining hydrazine status at the end of the prime Ceres mission and the hydrazine management planning for the extended mission are discussed.

Salami, Mana↗
DOE OSTI2023

IDAES-PSE 2.3.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost, most environmentally sustainable solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications.. New Features and Models • New diagnostics toolboxes and examples o Tutorial for using the DiagnosticsToolbox o Methods to identify potential evaluation errors in models o SVDToolbox for performing singular value decomposition analysis on models to identify possible degeneracies and poor scaling o DegeneracyHunter for identifying irreducible degenerate sets in models • Model for solid-liquid separation which takes two inputs (solid and liquid streams) and produces three outlets (solids, liquid entrained with solids and pure liquid) • Example of temperature swing adsorption in models_extra Deprecation Warnings • With the update to Pyomo 6.7.0, the plate heat exchanger model has begun failing tests on some CI platforms. If this is not addressed by the February release, this model may be removed due to failing tests. See #1294. Offers to help identify the cause and fix this issue are welcome. Improvements and bug fixes • Fixed oversight which precluded using Mixer and Separator models when inherent reactions were present in property package • Added reporting methods to the MSContactor model • Minor corrections in some examples where values were being fixed outside of declared variable bounds

DiagnosticsToolbox,IDAES,PSE,Process Systems Engin↗
DOE OSTI2025

Equilibrium-gated pattern formation: How molecular dissociation thermodynamics drive emergent behavior in dissipative polymeric systems

Emergent patterns in biological systems arise through dissipative processes that balance reaction and transport phenomena, producing highly functional properties from self-regulating mechanisms. Synthetic fabrication, by contrast, often relies on user-controlled, multistep methods that lack the self-organizing capabilities of natural systems. Inspired by nature, we sought chemical systems that integrate strongly coupled reaction and transport phenomena, identifying frontal ring-opening metathesis polymerization (FROMP) as a method capable of creating diverse forms and functions through reactive processing. By employing discrete molecular initiators, FROMP allows precise control of key reaction steps—inhibition, initiation, and propagation. Using an integrated computational and experimental framework, we uncover how near-equilibrium inhibition dynamics, coupled with far-from-equilibrium reaction kinetics, drive pattern formation in frontally polymerized synthetic materials. We propose the concept of equilibrium-gated pattern formation, demonstrating how initiator chemistry can be tuned to achieve programmable macroscale properties. Our study reveals a surprising insight: Emergent behavior in FROMP systems arises from the inhibition-dominated regime of resin composition, expanding prior observations that such behavior is confined to a narrow compositional space near the boundary between front quenching and uniform front propagation. We identify a broader compositional window, far from the quenching regime, where emergent behavior reliably manifests. This expanded design space significantly enhances the operational flexibility of reactive systems and their capacity for self-organization. Furthermore, these insights provide a roadmap for designing bioinspired materials with self-organizing capabilities, unlocking possibilities in synthetic manufacturing.

Architected Polymers↗
NASA NTRS1992

Human performance in the modern cockpit

This panel was organized by the Aerospace Human Factors Committee to illustrate behavioral research on the perceptual, cognitive, and group processes that determine crew effectiveness in modern cockpits. Crew reactions to the introduction of highly automated systems in the cockpit will be reported on. Automation can improve operational capabilities and efficiency and can reduce some types of human error, but may also introduce entirely new opportunities for error. The problem solving and decision making strategies used by crews led by captains with various personality profiles will be discussed. Also presented will be computational approaches to modeling the cognitive demands of cockpit operations and the cognitive capabilities and limitations of crew members. Factors contributing to aircrew deviations from standard operating procedures and misuse of checklist, often leading to violations, incidents, or accidents will be examined. The mechanisms of visual perception pilots use in aircraft control and the implications of these mechanisms for effective design of visual displays will be discussed.

Dismukes, R. K.↗
DOE OSTI2023

Guided anisotropic oxygen transport in vacancy ordered oxides

Abstract Anisotropic and efficient transport of ions under external stimuli governs the operation and failure mechanisms of energy-conversion systems and microelectronics devices. However, fundamental understanding of ion hopping processes is impeded by the lack of atomically precise materials and probes that allow for the monitoring and control at the appropriate time- and length- scales. In this work, using in-situ transmission electron microscopy, we directly show that oxygen ion migration in vacancy ordered, semiconducting SrFeO 2.5 epitaxial thin films can be guided to proceed through two distinctly different diffusion pathways, each resulting in different polymorphs of SrFeO 2.75 with different ground electronic properties before reaching a fully oxidized, metallic SrFeO 3 phase. The diffusion steps and reaction intermediates are revealed by means of ab-initio calculations. The principles of controlling oxygen diffusion pathways and reaction intermediates demonstrated here may advance the rational design of structurally ordered oxides for tailored applications and provide insights for developing devices with multiple states of regulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2019

SPARROW: A Steam Propelled Autonomous Retrieval Robot for Ocean Worlds

This paper presents the results of a NIAC Phase I study into the use of a propulsively hopping robot for the exploration of Europa’s rugged, icy surface. Named the“Steam Propelled Retrieval Robot for Ocean Worlds,” SPARROW is a multi-thruster robot passively gimballed within a protective, spherical shell, which enables it to freely rotate, self-right, and tumble over chaotic terrains. SPARROW is envisioned as a soccerball-sized payload to a primary lander mission. Europa’s abundant surface ice would be harvested as an in situ propellant source. The principal objective of SPARROW would be to increase the science return of a Europa landed asset by enabling access to distal, spatially distributed geologic units. The design of mobility systems for Europa is challenging, due in part to its almost entirely unconstrained surface topography and strength. Images returned by Voyager and Galileo yielded resolutions on the order of hundreds of meters per pixel, with localized regions reaching 6 meters per pixel—still far larger than a typical rover. A key benefit of SPARROW’s hopping, impact-tolerant design, is that it eliminates the need for a piori information on the terrain topography and surface strength; no surface reaction forces are required for motion. In this context, SPARROW is entirely terrain agnostic. In this paper we detail the results of three study objectives: i) to quantify the energy required to collect surface ice, change its phase, and maintain propellant temperature, ii) to identify control and estimation strategies that enable SPARROW to successfully reach, and return from, regions of scientific interest, and iii) to characterize the impact of SPARROW’s range on likely science return. Five water-based propellant architectures are presented alongside their mass, power, and volume requirements. Monte Carlo simulations of SPARROW hopping and tumbling over 1 km of glacial ice are summarized, characterizing SPARROW’s sensitivity to uncertainty in: initial conditions, thrust control, and cage-terrain interaction. Finally, a science traceability matrix is presented, which details the effect of sortie range on three science goals: constraining Europa’s evolutionary morphology, assessing sub-surface ocean habitability, and searching for life and/or biosignatures.

Phillips, Cynthia↗
NASA NTRS2008

An Overview of the Microgravity Science Glovebox (MSG) Facility, and the Gravity-Dependent Phenomena Research Performed in the MSG on the International Space Station (ISS)

The Microgravity Science Glovebox (MSG) is a double rack facility aboard the International Space Station (ISS) designed for gravity-dependent phenomena investigation handling. The MSG has been operating in the ISS US Laboratory Module since July 2002. The MSG facility provides an enclosed working area for investigation manipulation and observation, The MSG's unique design provides two levels of containment to protect the ISS crew from hazardous operations. Research investigations operating inside the MSG are provided a large 255 liter work volume, 1000 watts of dc power via a versatile supply interface (120, 28, +/-12, and 5 Vdc), 1000 watts of cooling capability, video and data recording and real time downlink, ground commanding capabilities, access to ISS Vacuum Exhaust and Vacuum Resource Systems, and gaseous nitrogen supply. With these capabilities, the MSG is an ideal platform for research required to advance the technology readiness levels (TRL) needed for the Crew Exploration Vehicle and the Exploration Initiative. Areas of research that will benefit from investigations in the MSG include thermal management, fluid physics, spacecraft fire safety, materials science, combustion, reaction control systems, in situ fabrication and repair, and advanced life support technologies. This paper will provide a detailed explanation of the MSG facility, a synopsis of the research that has already been accomplished in the MSG and an overview of investigations planning to operate in the MSG. In addition, this paper will address possible changes to the MSG utilization process that will be brought about by the transition to ISS as a National Laboratory.

Spivey, Reggie A.↗
NASA NTRS2019

SPARROW: Steam Propelled Autonomous Retrieval Robot for Ocean Worlds

The Steam Propelled Autonomous Retrieval Robot (SPARROW) for Ocean Worlds was a Phase I mission concept study funded under the NASA NIAC program. This report represents the findings of that study and recommendations for future work. SPARROW, envisioned as a soccer ball-sized payload to a primary lander mission, is a propulsively hopping robot for the exploration of Europa's rugged, icy surface. A multi-thruster, passively gimballed robot within a protective, spherical shell, SPARROW is able to freely rotate, self-right, and tumble over chaotic terrains. Europa's abundant surface ice would be harvested as an in situ propellant source. The principal objective of SPARROW is to increase the science return of a Europa landed asset by enabling access to distal, spatially distributed geologic units. The design of mobility systems for Europa is challenging, due in part to its almost entirely unconstrained surface topography and strength. Images returned by Voyager and Galileo yielded resolutions on the order of hundreds of meters per pixel, with localized regions reaching 6 meters per pixel—still far larger than a typical rover. A key benefit of SPARROW's hopping, impact-tolerant design, is that it eliminates the need for a priori information regarding terrain topography and surface strength; no surface reaction forces are required for motion. In this context, SPARROW is believed to be entirely terrain agnostic. In this report we detail the results of three study objectives: i) to quantify the energy required to collect surface ice, change its phase, and maintain propellant temperature, ii) to identify control and estimation strategies that enable SPARROW to successfully reach, and return from, regions of scientific interest, and iii) to characterize the impact of SPARROW's range on likely science return. Five water-based propellant architectures are presented alongside their mass, power, and volume requirements. Monte Carlo simulations of SPARROW hopping and tumbling over 1 km of glacial ice are summarized, characterizing SPARROW's sensitivity to uncertainty in: initial pose, thrust profile, and vehicle-terrain interaction. A science traceability matrix is presented, which details the effect of sortie range on three science goals: constraining Europa's evolutionary morphology, assessing sub-surface ocean habitability, and searching for life and/or biosignatures.

Autonomous↗
DOE OSTI2026

Mechanistic implications of excited high-spin states, spin–spin coupling, and differential [2Fe–2S] + cluster temperature relaxations in the electron-bifurcating NfnABC from Thermococcus sibiricus

Electron bifurcation (EB) is a mechanism of biological energy transduction in which multiple oxidation–reduction (redox) reactions are thermodynamically coupled within a single enzyme, enabling the enzyme to harness the excess free energy from an exergonic process to drive an endergonic process. Because of this unprecedented chemistry, there is interest to translate EB principles to artificial and bioengineered systems, but a hurdle is that knowledge pertaining to the fundamental design principles of EB enzymes remains scarce. Here, we investigated the fundamental physical and electronic properties of electron transfer sites in a spectroscopically uncharacterized member of the BfuABC family of EB enzymes, the NADH-dependent reduced-ferredoxin:NADP + oxidoreductase from Thermococcus sibiricus (Tsi NfnABC). Cryo-EM structures of Tsi NfnABC previously demonstrated that it contains twelve redox cofactors: two flavins (one FAD and one FMN), eight [4Fe–4S] clusters, and two [2Fe–2S] clusters. The FMN, one [4Fe–4S] cluster, and one [2Fe–2S] cluster comprise the bifurcating active site termed the electron-bifurcating flavobicluster (BF-FBC), which is found in all BfuABC family members. By using electron paramagnetic resonance spectroscopy, we identified spectral signatures originating from interactions between the FMN radical and [4Fe–4S] + cluster in the BF-FBC and observed temperature dependent behavior of the BF-FBC's [2Fe–2S] + cluster indicative of moderately slow spin–lattice relaxation. Additionally, we uncovered numerous spectral features corresponding to half-integer, S > ½ spin states of [4Fe–4S] + clusters, including one attributable to the consequences of lysine-ligation of a [4Fe–4S] cluster unique to NfnABC. We contextualize these findings to electron transfer theory and NfnABC's structure. Our insights further the understanding of how enzymes are designed to exert control over electron transfer to conduct thermodynamically challenging reactions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Molecular Engineering of Emissive Molecular Qubits Based on Spin-Correlated Radical Pairs

Spin chemistry of photogenerated spin-correlated radical pairs (SCRPs) offers a practical approach to control chemical reactions and molecular emissions by using weak magnetic fields. This capability to harness magnetic field effects (MFEs) paves the way for developing SCRPs-based molecular qubits. Here, in this work, we introduce a new series of donor–chiral bridge–acceptor (D–χ–A) molecules that demonstrate significant MFEs on fluorescence intensity and lifetime in solution at room temperature—critical for quantum sensing. By precisely tuning the donor site through torsional locking, distance extension, and planarization, we achieved remarkable control over key quantum properties, including field-response range and line width. In the most responsive systems, emission lifetimes increased by over 200%, and the total emission intensity was modulated by up to 30%. This level of tunability shows the power of synthetic spin chemistry. The rational design principle of optically addressable SCRP-based molecular systems, presented in this work, represents a major leap toward functional synthetic molecular qubits, advancing the field of molecular quantum technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Development of a microwave-assisted downdraft moving-bed gasifier for continuous processing of lignite and biomass chars

This research illustrates a microwave-assisted downdraft moving-bed gasifier for the first time. Such design enables continuous solid gasification process. An adjustable auger was applied to control the solid removal rate and the gas-solid interaction time. Both lignite and biomass chars were investigated to determine the capability of the current system for low-tar feedstocks with different densities. Here, the presented reactor design was able to operate continuously for 3 hours and 20 minutes under 700 ℃ and atmospheric pressure, with air as the gasifying agent. For yellow pine char, the processing rate could reach 34.1 grams per hour with decent syngas production. The downdraft moving-bed design shows better cold gas and syngas production efficiencies compared to the common fixed-bed design, due to controllable residence time and more homogeneous microwave heating. The limitations of the current design and the direction of novel microwave-assisted chemical reactor design were discussed. This novel reactor design provides a way to improve the efficiency of microwave-assisted gasification process and shows its potential to be incorporated into other established chemical reaction processes as a modular add-on.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Electromagnetic Energy-Assisted Thermal Conversion of Fossil-Based Hydrocarbons to Low-Cost Hydrogen

The goal of this project was to develop and optimize catalysts for methane decomposition, particularly focusing on regeneration via an electromagnetic energy-assisted mechanism, to produce hydrogen more cost-effectively compared to electrolysis routes. To achieve this goal, the project pursued several key objectives. The project began with the preparation and testing of various catalysts. A nickel-silica based catalyst was identified as the most promising material for the pyrolysis of methane into carbon and hydrogen. Kinetic parameters for methane decomposition were determined, aiding in computational modeling efforts. Structured catalysts were investigated, highlighting the need for frequent cleaning or regeneration to maintain performance, with methane conversion rates exceeding 70% in tube furnace tests. Computational fluid dynamics modeling was employed to optimize reactor designs and electrode angles, leading the project team to propose a multi-compartment thermal conversion system for larger setups. This modeling work was important in understanding reaction characteristics, carbon deposition rates, and temperature profiles under various conditions. A bench-scale reactor system was assembled to evaluate catalyst regeneration using electromagnetic energy-assisted mechanisms. Experiments demonstrated the potential for carbon removal, though further optimization is needed. The carbon produced from the methane conversion process was evaluated for potential use in lithium-ion battery electrodes. The carbon exhibited properties similar to commercially available high-purity multi-walled carbon nanotubes and nanofibers, with a carbon content greater than 95%. Coin cell batteries assembled with this carbon showed that lower replacement levels (10% to 33%) outperformed the control group, improving specific capacity density and stability. However, higher replacement levels (100%) demonstrated poorer performance, suggesting that excessive carbon substitution negatively impacts battery performance. These findings indicate the potential marketability of the produced carbon as a component in lithium-ion batteries, though further testing is necessary to confirm long-term advantages and disadvantages associated with the use of the carbon product. These results however justified further technoeconomic assessments to determine if the process can provide low-cost hydrogen. The economic feasibility and technical performance of methane decomposition for hydrogen production were assessed, focusing on three plant configurations: 100E (electrically heated), 100C (combustion heated using produced hydrogen), and PE-Hybrid (a combination of pyrolysis (indicating decomposition) and electrolysis). The Levelized Cost of Hydrogen (LCOH) for the pyrolysis configurations was found to be approximately 25% lower than that of electrolysis. The 100E configuration had the lowest LCOH at $\$$3.12/kg. Including carbon product sales significantly improved the economics, with the 100C configuration achieving a negative LCOH of -$\$$0.35/kg. The PE-Hybrid configuration was not economically advantageous compared to pure pyrolysis plants due to its complexity and additional equipment requirements. Ultimately, methane pyrolysis presents a viable method for near carbon dioxide-free hydrogen production, with significant economic advantages over electrolysis, especially when considering the sale of carbon byproducts. The 100E and 100C configurations showed the most promise, with the choice between them ultimately depending on the prices of power and natural gas. In conclusion, this technology has the potential to lower hydrogen production costs by leveraging the methane decomposition process with the sale of valuable carbon byproducts. By optimizing catalyst performance and integrating electromagnetic energy-assisted regeneration, the process can achieve higher efficiency and economic viability, making it a competitive alternative to traditional hydrogen production methods.

08 HYDROGEN↗
NASA NTRS1978

Engineering description of the OMS/RCS/DAP modes used in the HP-9825A High Fidelity Relative Motion Program (HFRMP)

Simplified mathematical models are reported for the space shuttle's Orbital Maneuvering System (OMS), Reaction Control System (RCS), and on-orbit Digital Autopilot (DAP) that have been incorporated in the High-Fidelity Relative Motion Program (HFRMP) for the HP-9825A desk-top calculator. Comparisons were made between data generated by the HFRMP and by the Space Shuttle Functional Simulator (SSFS), which models the cited shuttle systems in much greater detail. These data include propellant requirements for representative translational maneuvers, rotational maneuvers, and attitude maintenance options. Also included are data relating to on-orbit trajectory deviations induced by RCS translational cross coupling. Potential close-range stationkeeping problems that are suggested by HFRMP simulations of 80 millisecond (as opposed to 40 millisecond) DAP cycle effects are described. The principal function of the HFRMP is to serve as a flight design tool in the area of proximity operations.

Wilson, S. W.↗
DOE OSTI2025

Optimizing a detection system for fissile material in nuclear disarmament verification

In arms control treaties, verification plays a crucial role in detecting non-compliance, deterring future violations, and building trust between state parties. Neutron interrogation that induces fission reactions in fissile isotopes and measures the resulting fission neutrons, could be employed for this purpose. This study aims to develop a system which can determine the presence of fissile material while intrinsically protecting information. In this paper, we focus on optimizing the system for discriminating between an enriched uranium block from a depleted uranium (DU) block. The system was built and we report on benchmark measurements with DU and 16% enriched uranium blocks. Furthermore, the Excalibur (Experiment for Calibration with Uranium) neutron source, a neutron spectrometer (redBubble Technology Industries (BTI) N-Probe), and superheated droplet detectors were used for these measurements. MCNP simulations provided insights into detector responses to fissile materials with varying isotopic compositions, confirming that the system functioned as designed.

Active neutron interrogation↗
DOE OSTI2022

Effects of Synthesis Gas Concentration, Composition, and Operational Time on Tubular Solid Oxide Fuel Cell Performance

There is tremendous potential to utilize the exhaust gases and heat already present within combustion chambers to generate electrical power via solid oxide fuel cells (SOFCs). Variations in system design have been investigated as well as thorough examinations into the impacts of environmental conditions and fuel composition/concentration on SOFC performance. In an attempt to isolate the impacts of carbon monoxide and hydrogen concentration ratios within the exhaust stream, this work utilizes multi-temperature performance analyses with simulated methane combustion exhaust as fuel combined with dilute hydrogen baseline tests. These comparisons reveal the impacts of the complex reaction pathways carbon monoxide participates in when used as an SOFC fuel. Despite these complexities, performance reductions as a result of the presence of carbon monoxide are low when compared to similarly dilute hydrogen as a fuel. This provides further motivation for the continued development of SOFC-CHP systems. Stability testing performed over 80 h reveals the need for careful control of the operating environment as well as signs of carbon deposition. As a result of gas flow disruption, impacts of anode oxidation that may normally not hinder power production become significant factors in addition to coarsening of the anode material. Thermal management and strategies to minimize these impacts are a topic of future research.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Formal verification and validation of run-to-completion style state charts using Event-B

State chart notations with ‘run to completion’ semantics are popular with engineers for designing controllers that react to environment events with a sequence of state transitions but lack formal refinement and rigorous verification methods. State chart models are typically used to design complex control systems that respond to environmental triggers with a sequential process. The model is usually constructed at a concrete level and verified and validated using animation techniques relying on human judgement. Event-B, on the other hand, is based on refinement from an initial abstraction and is designed to make formal verification by automatic theorem provers feasible. Abstraction and formal verification provide greater assurance that critical (e.g. safety or security) properties are not violated by the control system. In this paper, we introduce a notion of refinement into a ‘run to completion’ state chart modelling notation and leverage Event-B’s tool support for theorem proving. We describe the difficulties in translating ‘run to completion’ semantics into Event-B refinements and suggest a solution. We illustrate our approach and show how models can be validated at different refinement levels using our scenario checker animation tools. We show how critical invariant properties can be verified by proof despite the reactive nature of the system and how behavioural aspects of the system can be verified by testing the expected reactions using a temporal logic, model checking approach. To verify liveness, we outline a proof that the run to completion is deadlock-free and converges to complete the run.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

(Project 18-15502) Reducing Uncertainty in Radionuclide Transport Prediction Using Multiple Environmental Tracers (Final Report)

In order to successfully site and design a nuclear waste disposal facility, DOE scientists are required to show safe containment of the radioactive waste for up to 1 million years. A significant hurdle to accurately and convincingly demonstrating disposal safety is predicting the fate of radioactive elements once they enter the groundwater system surrounding the repository. These predictions are often made with computer models, which contain accurate physics of groundwater movement and chemical reactions that occur during groundwater flow. As computer power increases, the physics and chemistry of these computer simulators can become more and more realistic and the physically based error decreases. However, the ability of these computer models to provide accurate predictions in a specific place, over long time periods, requires the scientists and engineers to know the subsurface properties of the Earth that control groundwater movement. In particular, groundwater scientists and engineers need to know the groundwater fluid velocity, which can change over time and strongly vary with location within the groundwater system. Because the Earth’s subsurface cannot be directly seen, and can only be sampled at drilling locations, the properties of the groundwater system are never known completely, and computer models of groundwater transport will always have some amount of uncertainty. This project’s principal goal was to use chemicals and isotope “tracers”, which have been introduced to the groundwater system by natural processes over long time periods, to help inform computer models of the groundwater velocity and subsurface properties. The goal was to calculate how much better predictions of groundwater transport were when these “tracers” were used to inform the computer models.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Credible Criticality Safety Margin in the 30B Package with LEU+ UF 6 and Hypothetical Water Ingress

The commercial nuclear industry is pursuing advancements in fuel and reactor design that increase the uranium enrichment above 5 wt. % 235 U. These advancements will necessitate the ability to transport bulk quantities of UF 6 at increased enrichments. Currently, the 30B cylinder is the primary container used by the industry for UF 6 storage and transportation and has a long history of successful shipments. This container can support up to 2,277 kg of UF 6 at a maximum enrichment of 5 wt. % 235 U. Previous evaluations have assessed the potential impact of criticality safety for 30B transport at higher enrichments but assumed moderator intrusion would not require evaluation. Although current regulations allow for the exception of moderator intrusion for UF 6 packages through the design and quality control of the package content, this exception is limited to enrichments up to 5 wt. % 235 U. Thus, an investigation of moderator intrusion into a 30B cylinder should be performed. Moderator intrusion into a 30B cylinder is a unique condition for criticality safety evaluation in transportation because of the violent chemical reactions that occur between UF 6 and H 2 O. The resulting intrusion is strongly dependent on the breach size, breach location, breach interface solid/ullage of the UF 6 content, the UF 6 distribution (which is temperature dependent), and temperature/pressure conditions which are dynamic in accident conditions. Additionally, the complexity of the HF-UO 2 F 2 -H 2 O interface that occurs during the event can influence the potential solubility of uranium in the system, as well as influence the amount of UF 6 reaction with H 2 O. With the operating experience from Orano Federal Services LLC, the UF 6 chemical expertise from Oak Ridge National Laboratory (ORNL), and the criticality safety expertise from ORNL, this paper evaluates the neutronic conditions (i.e., k eff ) that apply the understood chemistry and experimental conditions that occur during moderator intrusion of a breached 30B cylinder under postulated accidents. This report examines the historical evaluations of UF 6 transport and expands these evaluations for the enrichments expected for nuclear industry advancement. These simulations primarily feature a homogeneous mixture of UF 6 and H 2 O as an infinite media system and as a sphere with water reflection given an impurity limit of 0.5 wt. % UF 6 . This report demonstrates that this H/U limit is valid up to 8 wt. % enrichment for both H 2 O and HF as the moderating mixture. The water-reflected homogeneous mixed spheres evaluated demonstrate the amount of safety margin applied by restricting the 30B cylinder impurity limit to 0.5 wt. %. Additionally, this report evaluates moderator ingress scenarios of a 30B cylinder. The 30B cylinder simulations vary the cylinder orientation, the mass of UF 6 in the system, the mass of H 2 O in the system, and how much H 2 O has reacted with UF 6 . The moderator ingress of a 30B cylinder was evaluated for the water-reflected homogeneous mixed spheres to demonstrate the amount of safety margin applied by restricting the 30B cylinder impurity limit to 0.5 wt. %. These simulations are standard practice and are independent of the UF 6 -H 2 O reaction. This work also explored more complex simulations that layer the H 2 O over the UF 6 , which incorporates the amount of reacted UF 6 as a separate layer and considers solubility limits of UO 2 F 2 in H 2 O as it is produced. This approach is intended to simulate the postulated event of a large hairline crack occurring on a submerged cylinder. Finally, this work considers the potential of H 2 O mixing into the UF 6 solid heterogeneously using a sponge-like model. The water ingress into the UF 6 is treated as random size spheres, and the reaction products form into a layer over the spheres.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗