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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 127 records · Page 7

Real-Time Gear-Shift Optimization for an Autonomous Wheel Loader

Off-road vehicles, such as wheel loaders, consume a significant amount of fuel during the transportation of materials. The gear-shifting process is crucial in fuel savings for transportation, and therefore, optimization of gearshifts is important for vehicle control. For an autonomous off-road vehicle, there is potential for more fuel savings by proper coordination of gearshift optimization and optimization of other control inputs. This brief proposes a new method for integrating gear-shifting into transportation optimization for an autonomous wheel loader to minimize fuel consumption. Furthermore, tests conducted on short loading cycles show that this method can save around 10%–20% of fuel on average compared with a conventional gearshift-scheduling method.

33 ADVANCED PROPULSION SYSTEMS↗

Life Cycle Analysis of Growing Canola for Biofuel Production in the United States

This study quantifies and compares the life cycle greenhouse gas (GHG) emissions of renewable diesel (RD), sustainable aviation fuel (SAF), and biodiesel (BD) produced from two U.S. canola production systems: 1) emerging intermediate winter canola, typically grown in double- or relay-cropping systems between the growing seasons of main crops, and 2) main canola, mostly spring canola but also including winter canola, which are grown as primary crops occupying the field for a full growing season. Using the Research and Development version of the Greenhouse gases, Regulated Emissions, and Energy use in Technologies (R&D GREET) model and the most up-to-date life cycle inventory data─field trial data for intermediate winter canola (>37,000 acres) and recent national survey data for spring canola─this life cycle analysis (LCA) estimates the direct emissions from canola cultivation and harvest, the conversion of canola into fuels, fuel transportation, and combustion. In addition, we account for market-mediated emissions associated with a scenario of 0.5 billion gallons per year of spring canola-based biofuels, including induced land use change (ILUC), induced other crop (nonfeedstock) production changes, and induced livestock production changes. For intermediate winter canola, these market-mediated effects were not modeled, as ILUC is expected to be negligible due to its integration into existing rotations, and data are currently insufficient to reliably quantify other market-mediated changes. The estimated life cycle direct emissions of RD/SAF derived from intermediate winter canola and main spring canola are about 32 and 33 g of CO2-equivalent per megajoule of fuel (g CO 2 e/MJ), respectively. Corresponding emissions for BD from intermediate winter canola and main spring canola are about 30 and 31 g of CO 2 e/MJ, respectively. Farming is the dominant emissions source for both canola systems, with intermediate winter canola and main spring canola emitting about 19 and 20 g of CO 2 e/MJ, respectively. ILUC and other induced changes increase emissions of main spring canola-derived RD/SAF and BD by about 18 and 17 g of CO 2 e/MJ, respectively. These results indicate that the GHG emissions of biofuels produced from the two canola systems may differ substantially due to the different land use dynamics of the systems.

biodiesel↗

Impact of trivalent f-element complexation and chemical environment on the radiation-induced chemical reactivity of TODGA and HOPO ligands

Understanding the impact of ionizing radiation on ligands employed and proposed for the separation, recovery, and transport of actinide ions is of vital importance for the innovation of nuclear fuel cycle technologies. In the presence of ionizing radiation fields, complexing ligands are subject to radiolytic processes, that lead to their destruction and the formation of potentially detrimental degradation products. Consequently, mastery of the radiation-induced behavior of these ligands is essential for predicting and optimizing their effectiveness, longevity, and minimizing the negative impacts of radiolysis. Furthermore, this knowledge is critical for the design of more radiation resistant molecules to be incorporated into advanced separation technologies. That said, the radiation chemistry of most actinide complexants have only been studied in the absence of their targeted metal ion complexes, which can lead to inaccurate conclusions on their radiolytic robustness and impacts on performance. With this in mind, we present our findings on the impact of f-element complexation and chemical environment on the radiation-induced chemical reactivity of N,N,N',N'-tetraoctyl diglycolamide (TODGA) and the model octadentate hydroxypyridinone ligand 3,4,3-LI(1,2-HOPO) (abbreviated as HOPO), both promising candidates for actinide separations

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Exploring structure-function relationships governing transport by and regulation of the major cyanobacterial bicarbonate transporters SbtA and BicA

Cyanobacteria play a large and essential role in the global carbon cycle, while also representing promising microbial platforms for the direct bioproduction of fuels and chemicals from solar energy and carbon dioxide (CO 2 ). In both cases, a critical step in the overall photosynthetic process is the transport of inorganic carbon (Ci) across the cell membrane, which occurs via different mechanisms and associated transporter proteins that target either CO 2 or bicarbonate (HCO 3 - ). In the latter case, BicA (constitutively-expressed, high-flux/low-affinity Na + /HCO 3 - symporter) and SbtA (low-flux/high-affinity Na + /HCO 3 - symporter, expressed only under low CO 2 conditions) have been identified as the two main cyanobacterial HCO 3 - transporters. This project entailed combining detailed functional and high-resolution structural studies to help fill key knowledge gaps regarding the mechanisms of HCO 3 - transport by BicA and SbtA. Specifically, major goals of this project included: i) identifying key residues and structural features of BicA and SbtA that are responsible for modulating their uptake flux and affinity behaviors, and ii) obtaining high-resolution structures of full-length BicA and SbtA.

59 BASIC BIOLOGICAL SCIENCES↗

The molten salt tritium transport experiment: A pumped fluoride salt loop for hydrogen isotope experimentation

Molten salt reactors (MSRs) and fusion reactors propose to use molten salts as coolants and breeder blanket materials, respectively. Tritium, however, poses safety concerns in both reactor types due to its ability to permeate through reactor materials and potential for environmental release. This manuscript addresses the tritium transport phenomena in molten salts and presents the design and analysis of the Molten Salt Tritium Transport Experiment (MSTTE). MSTTE is a forced-convection fluoride salt loop intended to measure hydrogen isotope permeation through structural materials in a flowing salt system. In the first phase, MSTTE will use FLiNaK salt and deuterium as surrogates for FLiBe and tritium, with future plans to utilize tritium and FLiBe. MSTTE couples a Copenhagen Atomics pumped salt loop with an external test section that introduces hydrogen isotopes into the loop and measures transport phenomena. The Hydrogen Injection System (HIS) controls hydrogen isotope introduction into the molten salt loop. Here, the permeation test section measures the permeation rate through stainless steel tubing in contact with flowing salt. Computational fluid dynamics (CFD) analysis ensures fully developed salt flow in the permeation test section. MSTTE is modeled with MELCOR-TMAP to predict the permeation rate as a function of experimental variables such as source term, salt flow rate, and salt temperature. Results indicate that the source term is the only parameter with a significant effect on the permeation rate. Pressure drop analysis suggests that the loop should operate below 200 LPM to maintain a pressure drop below 200 kPa. Additionally, finite-element analysis assesses thermal stress during loop operation to ensure the experiment's safe design. MSTTE will provide semi-integral data on tritium transport phenomena in molten salts and serve as a testbed for advancing molten salt technology.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Analysis of fission product distribution and composition in the TRISO layers of AGR-2 fuel

The Advanced Gas Reactor Fuel Qualification and Development Program's second irradiation experiment focuses on the performance of fuel particles produced in an industrial-scale coating system. Ongoing post-irradiation examination efforts include exploration of tristructural-isotropic (TRISO)-coated particle fuel in the as-irradiated state and subjected to elevated temperatures to simulate accident conditions (safety testing). Scanning electron microscopy (SEM) analysis with energy dispersive x-ray spectroscopy (EDS) was used to show the distribution of fission products within the TRISO layers. The SEM analysis showed a variation of fission product distribution within the TRISO layers based on irradiation temperature, burnup, individual particle fission product inventory retention, safety testing history and kernel composition. Finally, a key observation is that particles which likely experienced higher temperature showed a greater diversity and distribution of fission products and actinides in the IPyC and SiC layers, implying that temperature is a dominant variable influencing the transport of radionuclides in TRISO particles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The Use of High-Density UN Fuel in Heat-Pipe Microreactors

Heat-pipe microreactors (HPMRs) are very small-scale nuclear reactors that employ heat pipes (HPs) for heat removal. HPMRs can be easily integrated with other forms of renewable energies, can be used for emergency responses to disaster relief zones, can be deployed in remote locations not connected to the grid, and can be removed from sites and replaced by new ones. HPMRs can also be used for space missions as HPs do not rely on gravity for heat transfer. Conventional fuel materials, such as uranium oxide (UO 2 ) and uranium oxycarbide (UCO), are currently considered in most existing HPMR designs, but ceramic uranium nitride (UN) fuel that has high uranium density, high thermal conductivity, and high melting point may become a better fuel candidate. Through neutronics calculations, this paper assesses the impact of using UN fuel in HPMRs with two different neutron spectra (fast and thermal) and two different fuel forms [traditional solid fuel pellets and TRi-structural-ISOtropic (TRISO) fuel compacts]. It was concluded that retrofitting HPMRs with UN fuel has the potential to reduce the initial 235 U enrichment requirement by ~3 wt% (to keep the same cycle length) or increase the cycle length (by keeping the same initial 235 U enrichment), which enables more compact and transportable HPMR core designs. However, using UN fuel decreases the control element worth [by up to 20% for the Special Purpose Reactor (SPR) and 5% for HP-MR] and is up to 80% more costly. Increasing 15 N enrichment can further decrease the initial 235 U enrichment requirement and increase the control element worth but is more costly. In conclusion, compared to fast-spectrum HPMRs fueled with solid pellet fuels, retrofitting UN fuel is more suitable for thermal-spectrum HPMRs fueled with TRISO fuel compacts, where the neutron spectrum hardening caused by using UN is less significant.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Determination of the Diffusion Coefficients of Binary CH4 and C2H6 in a Supercritical CO2 Environment (500–2000 K and 100–1000 atm) by Molecular Dynamics Simulations

The self-diffusion coefficients of carbonaceous fuels in a supercritical CO2 environment provide transport information that can help us understand the Allam Cycle mechanism at a high pressure of 300 atm. The diffusion coefficients of pure CO2 and binary CO2/CH4 and CO2/C2H6 at high temperatures (500 K~2000 K) and high pressures (100 atm~1000 atm) are determined by molecular dynamics simulations in this study. Increasing the temperature leads to an increase in the diffusion coefficient, and increasing the pressure leads to a decrease in the diffusion coefficients for both methane and ethane. The diffusion coefficient of methane at 300 atm is approximately 0.012 cm2/s at 1000 K and 0.032 cm2/s at 1500 K. The diffusion coefficient of ethane at 300 atm is approximately 0.016 cm2/s at 1000 K and 0.045 cm2/s at 1500 K. The understanding of diffusion coefficients potentially leads to the reduction in fuel consumption and minimization of greenhouse gas emissions in the Allam Cycle.

Energy & Fuels↗

Preliminary Analysis of Advanced Reactors Storage, Transportation, and Disposal

Based on the higher interest in Advanced Reactor (AR) deployment (e.g., ARDP[1]) for potential new fuel cycles, the Spent Fuel & Waste Science and Technology (SFWST) Program has begun to evaluate the possible implications of long-term management and final disposition of potential Advance Reactor spent nuclear fuels (SNF) that would be generated in potential advanced reactors. Safely managing and dispositioning the potential future AR SNF, and any other associated radioactive wastes, is the primary focus of this initial preliminary assessment of those. This paper summarizes the efforts by the Spent Fuel & Waste Science and Technology (SFWST) in evaluating characteristics and packaging options for advanced reactor spent nuclear fuel forms. The fuel forms were categorized into three types: (1) tristructural isotropic (TRISO), (2) metallic, and (3) fuel salt. This work emphasized TRISO and metallic SNF and waste streams because of the near-term anticipated operation of the Xe-100 and the Natrium reactors as advanced-reactor demonstrations. Preliminary information for the spent-fuel salts discharged from molten-salt reactors (MSRs) is also examined to provide a baseline for future efforts. All calculations and assumptions used publicly available information. The following characteristics are calculated or estimated for use in the preliminary assessments: SNF volume and mass, radiation/activity levels through time, thermal conditions through time, potential radionuclide source terms, chemical interactions and evolutions, disposal inventories, and waste-form lifetime. Using those characteristics, calculations to determine the applicability of existing canister designs were performed. These evaluations included geometric (e.g., dimension, volume) and mass/weight considerations, known operational approaches and loading procedures, physical and chemical considerations/conditions for storage environments, as-loaded radiation, thermal, and criticality analyses to identify constraints for storage, transportation, and disposal. The paper also includes a literature review and analysis on the storage, transportation, and disposal evaluations and experiences from reactors with similar fuel forms. Advanced-reactor vendors cite past experiences with Fort St. Vrain for TRISO and the Experimental Breeder Reactor II (EBR-II) for metallics that have major influences on fuel design. Finally, the paper includes preliminary concepts of operation for advanced-reactor SNF. This encompasses storage, transportation, potential treatment, and disposal activities from both a per-canister and systems-integration perspective.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Pertechnetate/perrhenate–capped Zr/Hf–Dihydroxide Dimers: Elucidating Zr–TcO 4 Co–Mobility in the Nuclear Fuel Cycle

Spent nuclear fuel contains heavy element fission products that must be separated for effective reprocessing for a safe and sustainable nuclear fuel cycle. 93 Zr and 99 Tc are high-yield fission products that co-transport in liquid-liquid extraction processes. Here we seek atomic-level information of this co-extraction process, as well as fundamental knowledge about Zr IV (and Hf IV ) aqueous speciation in the presence of topology-directing ligands such as pertechnetate (TcO 4 – ) and non-radioactive surrogate perrhenate (ReO 4 – ). In this context, we show that the flat tetrameric oxyhydroxyl-cluster [M IV 4 (OH) 8 (H 2 O) 16 ] 8+ (and related polymers) is dissociated by perrhenate/pertechnetate to yield isostructural dimers, M 2 (OH) 2 (XO 4 – ) 6 (H 2 O) 6 • 3H 2 O (M=Zr/Hf IV ; X=Re/Tc VII ), elucidated by single-crystal X-ray diffraction. We used these model compounds to understand the pervasive 93 Zr- 99 Tc coextraction with further speciation studies in water, nitric acid, and tetrabutylphosphate (TBP) -kerosene; where the latter two media are relevant to nuclear fuel reprocessing. SAXS (small angle X-ray scattering), compositional evaluation, and where experimentally feasible, ESI-MS (electrospray ionization mass spectrometry) showed that perrhenate/pertechnetate influence Zr/Hf IV -speciation in water. Here, in Zr-XO 4 solvent extraction studies to simulate fuel reprocessing, we provide evidence that TcO 4 – enhances extraction of Zr IV , and compositional analysis of the extracted metal-complexes (Zr-ReO 4 study) is consistent with the crystallized Zr IV 2 (OH) 2 (Re VII O 4 – ) 6 (H 2 O) 6 •dimer.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Process Model Development and Experimental Investigation for Spent Fuel Disposal in Crystalline Rocks: FY20 Report.

The U.S. Department of Energy Office of Spent Fuel Waste Disposition (SFWD) established in fiscal year 2010 (FY10) the Spent Fuel Waste Science & Technology (SFWST) Program (formerly the Used Fuel Disposition Campaign - UFDC) program to conduct the research and development (R&D) activities related to storage, transportation and disposal of used nuclear fuel and high level nuclear waste. The Mission of the SFWST is: To identify alternatives and conduct scientific research and technology development to enable storage, transportation and disposal of used nuclear fuel and wastes generated by existing and future nuclear fuel cycles. Significant progress has been made in FY20 in both experimental and modeling arenas in evaluation of used fuel disposal in crystalline rocks, especially in model demonstration using field data. The work covers a wide range of research topics identified in the R&D plan.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Evaluation of PBR Spent Fuel Criticality and Dose Rate Compliance for Storage and Transportation

Spent tri-structural isotropic (TRISO)–based fuels have a strong track record in storage and transportation without documented incidents. This work seeks to reduce uncertainty to aid in more informed spent fuel management of TRISO-based fuels by modeling both fresh and spent pebble bed reactor (PBR) fuel and comparing the results to the regulatory standards from 10 CFR 71. SCALE was used for all modeling due to it having fast and accurate methods for handling PBR fuel modeling, as well as having an efficient method for shielding calculations in monaco with automated variance reduction using importance calculations (MAVRIC), which utilizes the consistent adjoint-driven importance sampling (CADIS) and the forward-weighted consistent adjoint-driven importance sampling (FW-CADIS) methods. KENO-VI was used for all criticality calculations, TSUNAMI was used for uncertainty quantification on k-effective, TRITON and the Oak Ridge isotope generation code (ORIGEN) were both used for depletion of the fuel, and MAVRIC was used for shielding calculations. For criticality assessments, this study focused on the requirement that the value of the neutron multiplication factor, k-effective (k-eff), would not exceed a peak value of 0.95, including uncertainty, with 95% confidence. Criticality was initially examined by modeling fresh fuel from three different designs—HTR-10 fuel, PBMR-400 fuel, and demonstration fuel representative of a TRISO-fueled modern high-temperature gas reactor (HTGR) design, henceforth referred to as Demo HTGR—and placing them into various sized containers with conditions described in 10 CFR 71 to quantify the peak k-eff state. When the peak value of 0.95 k-eff was exceeded, mitigation methods were examined in those scenarios. Burnup credit, pebble displacement in areas of strong neutron multiplication, and random pebble replacement using pebbles of various compositions and replacement fractions were examined. In summary, the criticality of PBR fuels can be well accounted for by restricting container size, taking credit for burnup, or by displacing/replacing pebbles. Uncertainty of the k-eff due to nuclear data uncertainties was recorded at ~0.6644%Δk/k, or roughly 664% mil (pcm). The nuclear data–induced uncertainty was relatively small and should not require significant modification in the design to be accounted for. Revisions to the evaluated nuclear data file values have been shown to have a larger impact than nuclear data–induced uncertainty. For dose rate aspects, U.S. Nuclear Regulatory Commission regulations require a maximum dose rate of 10 millirem per hour (mrem/h) at 2 meters. In examining the dose rate behavior of spent PBR fuel, the representative Demo HTGR fuel was modeled exclusively due to it possessing the highest target burnup of the examined fuels. Equilibrium cycle modeling methods were used to produce a higher-fidelity discharge isotopic composition than simple assumptions, such as reflected pebbles. The discharge composition was used as a source term in the fixed-source transport shielding calculations, and dose rates were calculated at 2 m for the shortest possible cooling time. The low concentration of fuel material led to dose rates that were in line with regulatory limits, despite the high burnup when compared to traditional light water reactor fuels. In conclusion, the methods employed in this study would require more work to further verify and validate and are limited to the criticality and dose rate analyses performed.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The influence of lattice defects, recombination, and clustering on thermal transport in single crystal thorium dioxide

Thermal transport is a key controlling property for thorium dioxide in many applications where defect-generating radiation fields are present. An understanding of the effect of nanoscale lattice defects on thermal transport in this material is currently unavailable due to a lack of high-quality, single crystal material from which unit processes may be investigated. In this work, a series of thorium dioxide single crystals are exposed to 2 MeV proton irradiation at room temperature and 600°C to create microscale regions with varying densities and types of point and extended defects. Defected regions are investigated using spatial domain thermoreflectance to quantify the change in thermal conductivity as a function of ion fluence as well as transmission electron microscopy and Raman spectroscopy to interrogate the structure of the generated defects. Together, this com- bination of methods provides important initial insight into defect formation, recombination, and clustering in thorium dioxide and the effect of those defects on thermal transport. These methods also provide a promising pathway for the quantification of the smallest-scale defects which cannot be captured using traditional microscopy techniques and play and outsized role in degrading thermal performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

High Level Gap Analysis for Accident Tolerant and Advanced Fuels for Storage and Transportation

This initial gap analysis considers proposed accident tolerant fuel (ATF) options currently being irradiated in commercial reactors, since these are most likely for future batch implementation. Also, advanced fuel (AF) options that may be likely for use in advanced reactors are considered. The cladding technologies considered were chromium-coated zirconium-based alloys, FeCrAl, and both monolithic and matrix composite Silicide carbide (SiC). The fuel technologies considered were chromium-doped uranium dioxide fuel, uranium alloys, uranium nitride, and uranium silicide. Numerous national labs, industry, and countries are performing significant testing and modeling on these proposed technologies to establish performance, but at this time none of the prototypes being irradiated have achieved end-of-life (EOL) burnup. There are some testing results after one burnup cycle to verify in-reactor performance, but little data beyond that. As the ATF prototypes acquire more burnup, data will be produced that is relevant to storage and transportation. The DOE:NE Spent Fuel and Waste Science and Technology (SWFST) Storage and Transportation (ST) Control Account will evaluate the performance data as it becomes available for application to the identified gaps for ST.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fuel Assembly and Irradiation Parametric Study for Extended-Enrichment and High-Burnup Light-Water Reactor Spent Nuclear Fuel in Dry Storage Casks and Transportation Packages

There is an increased interest in operating commercial light-water reactors (LWRs) in the United States with improved economics that would result from longer fuel cycle lengths, fewer and shorter refueling outages, and fewer fuel assemblies requiring storage at the back end of the fuel cycle. To support this, fuel discharge burnups, as well as initial 235 U enrichments, must be higher than those used in current commercial LWRs. The typical upper limit considered for assembly average burnup in this report is 75 gigawatt-days (GWd) per metric ton of uranium (MTU), as opposed to the current typical upper bound of approximately 62 GWd/MTU. The upper limit considered for initial 235 U enrichment is 8 weight percent (8 wt %), as opposed to the current regulatory limit of 5 wt %. The enrichment range from 5 to 8 wt % is referred to in this report as extended enrichment . To investigate the effect of high burnup and extended enrichment conditions on dose rates and burnup credit for dry storage casks and transportation packages, a fuel assembly and irradiation parametric study was performed. The conclusions from this study will assist U.S. Nuclear Regulatory Commission staff in reviewing applications for dry storage casks and transportation packages that contain high-burnup and extended enrichment fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Life-Cycle Emissions and Human Health Implications of Multi-Input, Multi-Output Biorefineries

To meaningfully broaden the supply of fuels for the transportation sector, biofuel production must be scaled up and this requires a wider array of biomass feedstocks, including agricultural residues and organic waste. Rather than pursuing conversion of lignocellulosic biomass to fuels and anaerobic digestion of wastes as separate pathways, there are economic and environmental advantages associated with integrating these processes in a single facility. However, existing research rarely goes beyond carbon footprints in quantifying the effects of such a shift in bioenergy production. In addition to CO2, CH4, and N2O, this study explores the life-cycle air pollution (NH3, volatile organic compounds, NOx, SO2, and PM2.5), marine eutrophication, acidification, and local external cost implications of biorefineries capable of taking in crop residues, food waste, and manure to produce liquid fuel, electricity, and/or other options such as renewable natural gas (RNG), hydrogen, bioplastics, and protein-rich livestock feed. Relative to a single-input, single-output baseline, biorefineries integrated with organic waste codigestion to coproduce electricity or RNG can reduce life-cycle CO2-equivalent emissions by 84-149%, and the monetized external impacts across all scenarios range from $1.07/gallon to -$0.75/gallon ethanol.

Air pollution↗