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DOE OSTI2022

Fatty acid capped, metal oxo clusters as the smallest conceivable nanocrystal prototypes

Metal oxo clusters of the type M 6 O 4 (OH) 4 (OOCR) 12 (M = Zr or Hf) are valuable building blocks for materials science. Here, we synthesize a series of zirconium and hafnium oxo clusters with ligands that are typically used to stabilize oxide nanocrystals (fatty acids with long and/or branched chains). The fatty acid capped oxo clusters have a high solubility but do not crystallize, precluding traditional purification and single-crystal XRD analysis. We thus develop alternative purification strategies and we use X-ray total scattering and Pair Distribution Function (PDF) analysis as our main method to elucidate the structure of the cluster core. We identify the correct structure from a series of possible clusters (Zr3, Zr4, Zr6, Zr12, Zr10, and Zr26). Excellent refinements are only obtained when the ligands are part of the structure model. Further evidence for the cluster composition is provided by nuclear magnetic resonance (NMR), infrared spectroscopy (FTIR), thermogravimetry analysis (TGA), and mass spectrometry (MS). We find that hydrogen bonded carboxylic acid is an intrinsic part of the oxo cluster. Using our analytical tools, we elucidate the conversion from a Zr6 monomer to a Zr12 dimer (and vice versa), induced by carboxylate ligand exchange. Finally, we compare the catalytic performance of Zr12-oleate clusters with oleate capped, 5.5 nm zirconium oxide nanocrystals in the esterification of oleic acid with ethanol. The oxo clusters present a five times higher reaction rate, due to their higher surface area. Since the oxo clusters are the lower limit of downscaling oxide nanocrystals, we present them as appealing catalytic materials, and as atomically precise model systems. In addition, the lessons learned regarding PDF analysis are applicable to other areas of cluster science as well, from semiconductor and metal clusters, to polyoxometalates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

A System-Level Cost Modeling Framework for Design for Remanufacturing: A Case Study of an Agricultural Machine Transmission

Remanufacturing offers significant environmental and economic benefits by restoring end-of-life products to as-new conditions. Although extensive research has been conducted on the topic, the adoption of remanufacturing practices remains limited across various industries. A primary barrier to broader implementation is the substantial upfront investment required, which necessitates reliable cost modeling to justify potential future savings. Most existing models treat components independently and ignore inter-component dependencies. We develop a probabilistic, system-level cost modeling framework that integrates reliability, reusability, and a dependency matrix to capture cascading effects across components over multiple life cycles. Our model identifies those critical components that maximize remanufacturing benefits across a product's many lives. A toy example and an industry case study (John Deere PowrQuad transmission subassembly) illustrate how design alternatives affect cumulative cost. Using a Monte Carlo simulation (MCS) to perform life cycle cost analysis on the system with different design changes, we show the normalized average cost savings after three remanufacturing cycles. Accounting for dependencies meaningfully alters cost projections and ignoring them underestimates accumulated cost by up to 20% in our examples. Furthermore, the results of our study confirm that accounting for component interdependencies is necessary to produce cost estimates that meet industry standards.

Life Cycle Analysis and Design↗

DOE OSTI2026

Small Nuclear Reactors for Maritime Ports

Maritime ports are entering a period of sharply rising electricity demand as operations are electrified, shore power adoption grows, and energy-intensive industries expand near ports. This report evaluates the feasibility of small nuclear reactors at U.S. ports, which could offer stable baseload power and reduced dependence on regional grids. The report describes the current state of advanced reactor technologies and other factors important for future deployment such as safety and operations, siting requirements, regulatory environments and policy, and other co-benefit considerations. A structured evaluation across a diverse group of U.S. ports highlights the wide variation in feasibility. Fifteen ports were analyzed through port interviews and data collection to assess the port-specific conditions that most impact advanced reactor deployment. The analysis found that the most feasible ports for deployment have favorable geotechnical stability, supportive regulatory environments, and substantial energy loads in a grid-constrained environment. Additionally, an initial reactor size matching was done for the ports based on their reported energy consumption across different modes of operation. However, further analysis and detailed data will be required in the future to determine the optimal reactor-port matching. The economic viability to adopt this technology will be dictated by competitive cost of nuclear-generated electricity compared to other alternatives. Overall, small nuclear reactors present a promising but highly site-dependent pathway for ports seeking resilient, high-capacity energy solutions that support future energy demands. This report identifies key areas for future research and highlights ports that warrant further evaluation to assess the viability of small nuclear reactor implementation. By establishing these priorities, the analysis provides support for the development of informed strategies for potential advanced nuclear technology deployment. The inclusion of ports in this report does not imply their endorsement of nuclear energy generation, and the authors are grateful for the information, expertise, and perspectives they contributed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Self-Limitations of Heat Release in Coupled Core-Shell Spinel Ferrite Nanoparticles: Frequency, Time, and Temperature Dependencies

We explored a series of highly uniform magnetic nanoparticles (MNPs) with a core-shell nanoarchitecture prepared by an efficient solvothermal approach. In our study, we focused on the water dispersion of MNPs based on two different CoFe 2 O 4 core sizes and the chemical nature of the shell (MnFe 2 O 4 and spinel iron oxide). We performed an uncommon systematic investigation of the time and temperature evolution of the adiabatic heat release at different frequencies of the alternating magnetic field (AMF). Our systematic study elucidates the nontrivial variations in the heating efficiency of core-shell MNPs concerning their structural, magnetic, and morphological properties. In addition, we identified anomalies in the temperature and frequency dependencies of the specific power absorption (SPA). We conclude that after the initial heating phase, the heat release is governed by the competition of the Brown and Néel mechanism. In addition, we demonstrated that a rational parameter sufficiently mirroring the heating ability is the mean magnetic moment per MNP. Our study, thus, paves the road to fine control of the AMF-induced heating by MNPs with fine-tuned structural, chemical, and magnetic parameters. Importantly, we claim that the nontrivial variations of the SPA with the temperature must be considered, e.g., in the emerging concept of MF-assisted catalysis, where the temperature profile influences the undergoing chemical reactions.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Advanced launch vehicles

Vehicles capable of lifting very large and heavy payloads into low earth orbit (LEO) will be needed to support certain large-scale space missions being considered for the late 1990-2000 time period. These missions include the support of strategic national commitments, large space power systems, and interplanetary and lunar exploration. Nearer term missions will utilize the Space Shuttle and its direct derivatives, the Shuttle-Derived Vehicles (SDV), currently being defined under NASA and DOD sponsored studies. A conceptual design of a Heavy Lift Launch Vehicle (HLLV) that will lift a half million pounds to low earth orbit is presented. Design alternatives and key system design problems and issues are discussed. The new developments required, such as a new large liquid booster engine and Space Shuttle Main Engine (SSME) modifications, are identified. New candidate launch locations and launch facility requirements are also discussed. The commonality and utilization of the booster stage 'elements' as a liquid booster for a 'growth' Space Shuttle are conceptually defined.

Marshall, W. R.↗

NASA NTRS1991

SEI power source alternatives for rovers and other multi-kWe distributed surface applications

To support the Space Exploration Initiative (SEI), a study was performed to investigate power system alternatives for the rover vehicles and servicers that were subsequently generated for each of these rovers and servicers, candidate power sources incorporating various power generation and energy storage technologies were identified. The technologies were those believed most appropriate to the SEI missions, and included solar, electrochemical, and isotope systems. The candidates were characterized with respect to system mass, deployed area, and volume. For each of the missions a preliminary selection was made. Results of this study depict the available power sources in light of mission requirements as they are currently defined.

Bents, David J.↗

NASA NTRS1998

Analyzing Space-Based Interferometric Measurements of Stars and Network Measurements of Gamma-Ray Bursts

Since the announcement of the discovery of sources of bursts of gamma-ray radiation in 1973, hundreds more reports of such bursts have now been published. Numerous artificial satellites have been equipped with gamma-ray detectors including the very successful Compton Gamma Ray Observatory BATSE instrument. Unfortunately, we have made no progress in identifying the source(s) of this high energy radiation. We suspected that this was a consequence of the method used to define gamma-ray burst source "error boxes." An alternative procedure to compute gamma-ray burst source positions, with a purely physical underpinning, was proposed in 1988 by Taff. Since then we have also made significant progress in understanding the analytical nature of the triangulation problem and in computing actual gamma-ray burst positions and their corresponding error boxes. For the former, we can now mathematically illustrate the crucial role of the area occupied by the detectors, while for the latter, the Atteia et al. (1987) catalog has been completely re-reduced. There are very few discrepancies in locations between our results and those of the customary "time difference of arrival" procedure. Thus, we have numerically demonstrated that the end result, for the positions, of these two very different-looking procedures is the same. Finally, for the first time, we provide a sample of realistic "error boxes" whose non-simple shapes vividly portray the difficulty of burst source localization.

Taff, L. G.↗

NASA NTRS2001

Formation of Y(x)Nd(1-x) Ba2Cu3O(7-delta) (0 = or < x < or = 0.7) Superconductors from an Undercooled Melt Via Aero-Acoustic Levitation

Melt processing of RE123 superconductors has gained importance in recent years. While the first high temperature superconductors (HTSCs) were made using traditional ceramic press and sinter technology, recent fabrication efforts have employed alternate processing techniques including laser ablation and ion beam assisted deposition for thin film fabrication of tapes and wires and melt growth for bulk materials. To optimize these techniques and identify other potential processing strategies, phase relation studies on HTSCs have been conducted on a wide variety of superconducting compounds using numerous processing strategies. This data has enhanced the understanding of these complex systems and allowed more accurate modeling of phase interactions. All of this research has proved useful in identifying processing capabilities for HTSCs but has failed to achieve a breakthrough for wide spread application of these materials. This study examines the role of full to partial substitution of Nd in the Y123 structure under rapid solidification conditions. Aero-acoustic levitation (AAL) was used to levitate and undercool RE123 in pure oxygen binary alloys with RE = Nd an Y along a range of compositions corresponding to Y(x)Nd(1-x) Ba2Cu3O(7-delta) (0 = or < x < or = 0.7) which were melted by a CO2 laser. Higher Y content spheres could not be melted in the AAL and were excluded from this report. Solidification structures were examined using scanning electron microscopy, electron dispersive spectroscopy, and powder x-ray diffraction to characterize microstructures and identify phases.

Gustafson, D. E.↗

NASA NTRS2011

Benefit of "Push-pull" Locomotion for Planetary Rover Mobility

As NASAs exploration missions on planetary terrains become more aggressive, a focus on alternative modes of locomotion for rovers is necessary. In addition to climbing steep slopes, the terrain in these extreme environments is often unknown and can be extremely hard to traverse, increasing the likelihood of a vehicle or robot becoming damaged or immobilized. The conventional driving mode in which all wheels are either driven or free-rolling is very efficient on flat hard ground, but does not always provide enough traction to propel the vehicle through soft or steep terrain. This paper presents an alternative mode of travel and investigates the fundamental differences between these locomotion modes. The methods of push-pull locomotion discussed can be used with articulated wheeled vehicles and are identified as walking or inchinginch-worming. In both cases, the braked non-rolling wheels provide increased thrust. An in-depth study of how soil reacts under a rolling wheel vs. a braked wheel was performed by visually observing the motion of particles beneath the surface. This novel technique consists of driving or dragging a wheel in a soil bin against a transparent wall while high resolution, high-rate photographs are taken. Optical flow software was then used to determine shearing patterns in the soil. Different failure modes were observed for the rolling and braked wheel cases. A quantitative comparison of inching vs. conventional driving was also performed on a full-scale vehicle through a series of drawbar pull tests in the Lunar terrain strength simulant, GRC-1. The effect of tire stiffness was also compared; typically compliant tires provide better traction when driving in soft soil, however its been observed that rigid wheels may provide better thrust when non-rolling. Initial tests indicate up to a possible 40 increase in pull force capability at high slip when inching vs. rolling.

robotics↗

NASA NTRSDate not supplied

Suborbital Lunar Gravity Experiment of an Electrodynamic Regolith Conveyor

NASA’s Swamp Works Electrostatics and Surface Physics Laboratory (ESPL) is planning to test a 4-phase electrodynamic regolith conveyor in simulated lunar gravity on a suborbital flight in 2023. A 4-phase electrodynamic regolith conveyor could convey regolith without the risk of rotating or vibratory actuation, which could jam or require regular maintenance due to the abrasive nature of lunar regolith. Another advantage of electrodynamic conveying is the reduction of conveying power, which is important considering the limited scale of available early-stage lunar power systems. The current state of the art(SOA) for lunar regolith conveying is based on recent NASA system studies for oxygen production plants. These plant designs require conveying rates around 100 kg/hr, to produce 10 mT/yr of oxygen from the regolith. To accomplish this, conventional augers and vibratory spiral conveyors have been identified as the SOA or the leading candidates due to their extensive use in the terrestrial material handling industry. At NASA KSC, the use of dynamic electric fields, generated by alternating high voltage on electrodes, has been developed as a dust mitigation solution known as the Electrodynamic Dust Shield (EDS). The EDS is being developed for lenses, solar panels, radiators, fabric and seals. ESPL researchers have shown the ability to move thin layers (~ a few mm) of dust with mW of power. In Academia, researchers have shown the ability to electrodynamically convey regolith up to ~1 kg/hr with a4-phase EDS and electromagnetically convey particles that would suggest a lunar regolith conveying rate of ~25 kg/hr. This paper will describe the design and expected operation of a 4-phase electrodynamic regolith conveyor in lunar gravity. This paper will also describe how an electrodynamic conveyor could be scaled for transporting ISRU relevant flow rates.

Aaron D S Olson↗

NASA NTRSDate not supplied

Design and Testing of a Prototype Electrodynamic Regolith Conveyor for Lunar ISRU

NASA’s Swamp Works Electrostatics and Surface Physics Laboratory (ESPL) is developing a 4-phaseelectrodynamic regolith conveyor (ERC) that could convey regolith without the risk of rotating or vibratory actuation, which could jam or require regular maintenance due to the abrasive nature of lunar regolith. Another goal of electrodynamic conveying is the reduction of conveying power, which is important considering the limited capacity of early-stage lunar power systems. The current state of the art(SOA) for lunar regolith conveying is based on recent NASA system studies for oxygen production plants. These plant designs require conveying rates around 100 kg/hr, to produce 10 mT/yr of oxygen from the regolith. To accomplish this, conventional augers and vibratory spiral conveyors have been identified as the SOA or the leading candidates due to their extensive use in the terrestrial material handling industry. At NASA KSC, the use of dynamic electric fields, generated by alternating high voltage on electrodes, has been developed as a dust mitigation solution known as the Electrodynamic Dust Shield (EDS). The EDS is being developed for lenses, solar panels, radiators, fabric and seals and is scheduled for a technology demonstration mission on the Moon in 2023. ESPL researchers have shown the ability to move thin layers (~ a few mm) of dust with mW of power. In Academia, researchers have shown the ability to electrodynamically convey regolith up to ~1 kg/hr with a 4-phase EDS and electromagnetically convey particles that would suggest a lunar regolith conveying rate of ~25 kg/hr. This paper will describe the design and testing of a prototype ERC that could scale to support transporting regolith at ISRU relevant flow rates.

Aaron D S Olson↗

NASA NTRSDate not supplied

Design and Testing of a Prototype Electrodynamic Regolith Conveyor For Lunar ISRU

NASA’s Kennedy Space Center’s (KSC) Swamp Works Electrostatics and Surface Physics Laboratory (ESPL) is developing a 4-phase Electrodynamic Regolith Conveyor (ERC) that could convey regolith without the risk of rotating or vibratory actuation, which could jam or require regular maintenance due to the abrasive nature of lunar regolith. Another goal of electrodynamic conveying is the reduction of conveying power, which is important considering the limited capacity of early-stage lunar power systems. The current state of the art (SOA) for lunar regolith conveying is based on recent NASA system studies for oxygen production plants. These plant designs require conveying rates around 100 kg/hr, to produce 10 mT/yr of oxygen from the regolith. To accomplish this, conventional augers and vibratory spiral conveyors have been identified as the SOA or the leading candidates due to their extensive use in the terrestrial material handling industry. At NASA KSC, the use of dynamic electric fields, generated by alternating high voltage on electrodes, has been developed as a dust mitigation solution known as the Electrodynamic Dust Shield (EDS). The EDS is being developed for lenses, solar panels, radiators, fabric and seals and is scheduled for a technology demonstration mission on the Moon in 2023. ESPL researchers have shown the ability to move thin layers (a few mm) of dust with mW of power. In Academia, researchers have shown the ability to electrodynamically convey regolith up to 1 kg/hr with a 4-phase EDS. This paper will describe the design and testing of a prototype ERC that could scale to support transporting regolith at ISRU relevant flow rates.

Conveyor↗

NASA NTRSDate not supplied

Design and Testing of a Prototype Electrodynamic Regolith Conveyor for Lunar ISRU

Lunar↗

DOE OSTI2022

Methods for rule-based genome design

Methods and systems for designing, testing, and validating genome designs based on rules or constraints or conditions or parameters or features and scoring are described herein. A computer-implemented method includes receiving data for a known genome and a list of alleles, identifying and removing occurrences of each allele in the known genome, determining a plurality of allele choices with which to replace occurrences in the known genome, generating a plurality of alternative gene sequences for a genome design based on the known genome, wherein each alternative gene sequence comprises a different allele choice, applying a plurality of rules or constraints or conditions or parameters or features to each alternative gene sequence by assigning a score for each rule or constraint or condition or parameter or feature in each alternative gene sequence, resulting in scores for the applied plurality of rules or constraints or conditions or parameters or features, scoring each alternative gene sequence based on a weighted combination of the scores for the plurality of rules or constraints or conditions or parameters or features, and selecting at least one alternative gene sequence as the genome design based on the scoring.

Kuznetsov, Gleb↗

NASA NTRS1993

Generating and evaluating alternate schedules

The demand for and availability of Space Network resources are subject to short-term fluctuations and long-term changes. Generation of acceptable schedules under changing demand and resource availability will require the use of different scheduling policies. This paper identifies several such scheduling policies. It defines metrics for evaluating schedules using the criteria directly related to these scheduling policies. Then it applies the metrics to compare several schedules generated for a scenario representative of 1998 SN demand and resources. Finally, the paper describes a method for using these metrics to evaluate schedules based on multiple criteria.

Reddy, Surender D.↗

NASA NTRS2011

Experimental and Modeling Studies of the Combustion Characteristics of Conventional and Alternative Jet Fuels. Final Report

The objectives of this project have been to develop a comprehensive set of fundamental data regarding the combustion behavior of jet fuels and appropriately associated model fuels. Based on the fundamental study results, an auxiliary objective was to identify differentiating characteristics of molecular fuel components that can be used to explain different fuel behavior and that may ultimately be used in the planning and design of optimal fuel-production processes. The fuels studied in this project were Fischer-Tropsch (F-T) fuels and biomass-derived jet fuels that meet certain specifications of currently used jet propulsion applications. Prior to this project, there were no systematic experimental flame data available for such fuels. One of the key goals has been to generate such data, and to use this data in developing and verifying effective kinetic models. The models have then been reduced through automated means to enable multidimensional simulation of the combustion characteristics of such fuels in real combustors. Such reliable kinetic models, validated against fundamental data derived from laminar flames using idealized flow models, are key to the development and design of optimal combustors and fuels. The models provide direct information about the relative contribution of different molecular constituents to the fuel performance and can be used to assess both combustion and emissions characteristics.

Meeks, Ellen↗

DOE OSTI2023

Light Energy Transduction in Green Sulfur Bacteria

Green sulfur bacteria (GSB) are exquisitely adapted for growth at extraordinarily low light intensities. They are important primary producers of biomass in many anoxic environments, and they contribute significantly to the biogeochemical cycling of carbon, nitrogen, and sulfur on Earth. Green bacteria more generally share the property of using chlorosomes for light-harvesting, and these unusual organelles have many unique features. These include the presence of a monolayer lipid-protein envelope, self-assembling bacteriochlorophylls (BChl) in which pigment-pigment interactions predominate, and the presence of redox components ([2Fe-2S] ferredoxins and quinones) that play a role in regulating excitation energy transfer to the type-1 homodimeric reaction centers. The reaction centers of GSB are related to Photosystem I of cyanobacteria and higher plants but also exhibit several unique structural and functional features. The long-term objectives of this research program are to understand the structure, functions, and biogenesis of the chlorosomes, reaction centers, and electron transport chains that carry out the photochemical transduction of light energy into chemical energy in the model green sulfur bacterium, Chlorobaculum (formerly Chlorobium) tepidum. Over a period of 26 years, we characterized chlorosomes in detail. We identified the proteins in the chlorosome envelopes of diverse organisms, identified the nearest neighbors of those proteins, and characterized the chlorosomes of mutant strains lacking one to five of these proteins. After the genome sequence of Cba. tepidum became available, we identified all genes encoding enzymes for BChl a , BChl c/d/e/ƒ , and Chl a biosynthesis Cba. tepidum . We additionally identified all genes encoding enzymes for carotenoid biosynthesis. By constructing a bchQRU mutant strain that produces [Et, Me]-BChl d , together with collaborators who are specialists in solid-state NMR and cryo-electron microscopy, we solved the structure of the BChls in chlorosomes. Using similar methods and chlorosomes containing [Et, Me]-BChl c , we then showed that alternative structures were possible using the same syn-anti BChl dimer. The structures were refined by introducing spectroscopic data from single-chlorosome measurements. Over the course of this project, we sequenced the genomes of approximately twenty GSB strains, which provided important information for comparative analyses. Through analyses of metagenomic data from Mushroom and Octopus Springs in Yellowstone National Park, we identified a novel chlorophototroph belonging to the phylum Acidobacteriota. We successfully isolated an axenic culture of this organism. We characterized the photosynthetic apparatus of this bacterium, named Chloracidobacterium thermophilum, in significant detail, in particular its type-1, homodimeric reaction centers. Surprisingly, these reaction centers contain three types of Chls, BChl a , Chl a , and Zn-BChl a' . We showed that a dimer of Zn-BChl a' is the primary donor and Chl a the primary acceptor of electrons in this reaction center by using advanced spectroscopic techniques. We isolated eight additional strains of Chloracidobacterium spp. from Mushroom Spring and Rupite hot springs in Bulgaria. Comparative genomes showed that these represent three species, Cab. thermophilum , Cab. aggregatum , and Cab. validum . By applying comparative genomics, genetic, biochemical biophysical and physiological approaches to study green bacteria, we produced a wealth of new information about the remarkable light-harvesting and energy transduction capabilities of these poorly characterized microorganisms.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Artificial neural network based isotopic analysis of airborne radioactivity measurement for radiological incident detection

Responders need tools to rapidly detect and identify airborne alpha radioactivity during consequence management scenarios. Traditional continuous air monitor systems used for this purpose compute the net counts in various energy windows to determine the presence of specified isotopes, such as 235U, 239Pu, and 241Am. These calculations rely on having a well-calibrated detector, which is challenging in low-background environments. Here an alternative approach of using artificial neural networks to classify alpha spectra is presented. Two network architectures, fully connected and convolutional networks, were trained to classify alpha spectra into four categories: background and background plus the three isotopes above. Sources were injected into measured background at various fractions of the derived response level (DRL) corresponding to early-phase Protective Action Guides. The convolutional network identifies all sources at 1% of the DRL with average probability of detection of 95% and false alarm probability of 1%. Further, the network identifies sources ranging between 0.25% and 1% of the DRL with higher than 80% probability of detection and lower than 7% false alarm probability. Most significantly, the network performance improves in low-count background conditions, increasing its minimum probability of detection to 93% and reducing the false alarm probabilities to lower than 0.25%. These results show that, once trained on datasets representing a range of detection scenarios, artificial neural networks can accurately identify alpha isotopes of interest without the need for detector calibration.

Woldegiorgis, Surafel F.↗