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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Self-assembled HfO 2 -Au nanocomposites with ultra-fine vertically aligned Au nanopillars

Oxide-metal-based hybrid materials have gained great research interest in recent years owing to their potential for multifunctionality, property coupling, and tunability. Specifically, oxide-metal hybrid materials in a vertically aligned nanocomposite (VAN) form could produce pronounced anisotropic physical properties, e.g., hyperbolic optical properties. Herein, self-assembled HfO 2 -Au nanocomposites with ultra-fine vertically aligned Au nanopillars (as fine as 3 nm in diameter) embedded in a HfO 2 matrix were fabricated using a one-step self-assembly process. The film crystallinity and pillar uniformity can be obviously improved by adding an ultra-thin TiN-Au buffer layer during the growth. Here, the HfO 2 -Au hybrid VAN films show an obvious plasmonic resonance at 480 nm, which is much lower than the typical plasmonic resonance wavelength of Au nanostructures, and is attributed to the well-aligned ultra-fine Au nanopillars. Coupled with the broad hyperbolic dispersion ranging from 1050 nm to 1800 nm in wavelength, and unique dielectric HfO 2 , this nanoscale hybrid plasmonic metamaterial presents strong potential for the design of future integrated optical and electronic switching devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Decoupling Proton and Cation Contributions to Capacitive Charge Storage in Birnessite in Aqueous Electrolytes

Abstract Nanostructured birnessite is of interest as an electrode material for aqueous high power electrochemical energy storage as well as desalination devices. In neutral pH aqueous electrolytes, birnessite exhibits a capacitive response attributed to the adsorption of cations and protons at the outer surface and within the hydrated interlayer. Here, we utilize the understanding of proton‐coupled electron transfer (PCET) in buffered electrolytes to decouple the role of protons and cations in the capacitive charge storage mechanism of birnessite at neutral pH. We find that without buffer, birnessite exhibits primarily potential‐independent (capacitive) behavior with excellent cycling stability. Upon the addition of buffer, the capacity initially increases and the cyclic voltammograms become more potential‐dependent, features attributed to the presence of PCET with the birnessite. However, long‐term cycling in the buffered electrolyte leads to significant capacity fade and dissolution, which is corroborated through ex situ characterization. ReaxFF atomistic scale simulations support the observations that proton adsorption leads to birnessite degradation and that capacitive charge storage in birnessite is primarily attributed to cation adsorption at the outer surface and within the interlayer.

Saeed, Saeed↗
NASA NTRS1984

Intrinsic oxygen fugacities of diogenites and mesosiderite clasts

Oxygen fugacities of diogenite and mesosiderite clast material were measured with the double ZrO2 cell technique between 800 and 1150 C. The samples were taken from large clasts in the diogenites Johnstown (En73) and Tatahouine (En75), and the mesosiderites Estherville (En81), West Point (Fo88) and Emery (En68). Fugacity values for all except Emery plot near the wuestite-iron buffer curve and are interpreted as indicating similar source regions and environments of crystallization for the two suites. Emery orthopyroxene records a lower fugacity, close to the fayalite-quartz-iron buffer curve, probably as a result of equilibration with the mesosiderite matrix assemblage. The similarity of redox conditions experienced by mesosiderite orthopyroxenite and diogenites is not sufficient to require a single parent body and, if the common achondrites were derived from Vesta, mesosiderites probably came from a different body.

Hewins, R. H.↗
DOE OSTI2020

Interfacial stabilization for epitaxial CuCrO 2 delafossites

AB O 2 delafossites are fascinating materials that exhibit a wide range of physical properties, including giant Rashba spin splitting and anomalous Hall effects, because of their characteristic layered structures composed of noble metal A and strongly correlated B O 2 sublayers. However, thin film synthesis is known to be extremely challenging owing to their low symmetry rhombohedral structures, which limit the selection of substrates for thin film epitaxy. Hexagonal lattices, such as those provided by Al 2 O 3 (0001) and (111) oriented cubic perovskites, are promising candidates for epitaxy of delafossites. However, the formation of twin domains and impurity phases is hard to suppress, and the nucleation and growth mechanisms thereon have not been studied for the growth of epitaxial delafossites. In this study, we report the epitaxial stabilization of a new interfacial phase formed during pulsed-laser epitaxy of (0001)-oriented CuCrO 2 epitaxial thin films on Al 2 O 3 substrates. Through a combined study using scanning transmission electron microscopy/electron-energy loss spectroscopy and density functional theory calculations, we report that the nucleation of a thermodynamically stable, atomically thick CuCr 1-x Al x O 2 interfacial layer is the critical element for the epitaxy of CuCrO 2 delafossites on Al 2 O 3 substrates. This finding provides key insights into the thermodynamic mechanism for the nucleation of intermixing-induced buffer layers that can be used for the growth of other noble-metal-based delafossites, which are known to be challenging due to the difficulty in initial nucleation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nanotubes Growth by Self-Assembly of DNA Strands at Room Temperature

Artificial biomolecular nanotubes are a promising approach to building materials mimicking the capacity of the cellular cytoskeleton to grow and self-organize dynamically. Nucleic acid nanotechnology has demonstrated a variety of self-assembling nanotubes with programmable, robust features and morphological similarities to actual cytoskeleton components. However, their production typically requires thermal annealing, which not only poses a general constraint on their potential applications but is also incompatible with physiological conditions. Here, we demonstrate that DNA nanotubes can self-assemble from a simple mixture of five short DNA strands at constant room temperature, growing for extended periods of time in bulk conditions as well as under confinement. Assembly is achieved using a monovalent salt buffer, which ensures a faithful nanoscale arrangement and avoids nanotube aggregation. We observe the formation of individual nanotubes up to 20 days with a diameter of 22 ± 4 nm and length of several tens of micrometers. We finally encapsulate the strands in microsized compartments, such as water-in-oil microdroplets and giant unilamellar vesicles serving as simple cell models. Notably, nanotubes not only isothermally self-assemble directly inside the microcompartments but also self-organize into dynamic higher-order structures resembling rings and dynamic networks. Our study provides an advantageous method for in situ assembly of programmable biomolecular scaffolds and materials using synthetic DNA strands without requirements of thermal treatment.

Chemistry↗
DOE OSTI2020

Role of electrolyte composition on the acid stability of mixed-metal oxygen evolution catalysts

Acid stability in catalysts that promote the oxygen evolution reaction (OER) may be achieved through either the introduction of electrolyte-modulated self-healing processes, or the fixation of OER active sites within stable, conductive oxide matricies. By varying the nature of the electrolyte, pH, buffer concentration, and ionic strength, the contributions of these two effects may be deconvoluted. In addition, we find that the nature of the buffer is capable of engendering OER with exceptional acid stability at moderate overpotentials.

14 SOLAR ENERGY↗
DOE OSTI2023

Techno-economic optimization of renewable urea production for sustainable agriculture and CO 2 utilization

Abstract Urea is the most used nitrogen fertilizer due to its ease of storage, transportation, and application. It is made by combining ammonia and carbon dioxide (CO 2 ), both of which are produced predominantly from fossil fuels at present. The recent momentum behind ammonia production using renewable-powered electrolysis offers an opportunity to both make urea in a more sustainable way and utilize CO 2 from external sources. In this work, we present a techno-economic optimization model to minimize the cost of making urea in this way. The model allows for time-varying chemical production in response to renewable variability by simultaneously optimizing production facility design and hourly operation. We performed a case study for Minnesota considering the use of byproduct CO 2 from bioethanol production. We found that the present-day levelized cost of renewable urea is between $268 mt −1 and $413 mt −1 at likely implementable production scales up to 250 000 mt yr −1 . This is within the range of historical conventional urea prices while offering at least 78% carbon intensity reduction. Projecting to 2030, there is a clear economic case for renewable urea production with levelized cost as low as $135 mt −1 due to technology improvement and electrolysis manufacturing expansion, facilitating a urea production scale increase to 525 000 mt yr −1 . Optimal facilities use wind energy, with hydrogen and ammonia production operating in a flexible, time-varying way to minimize battery and hydrogen storage capacities. Urea production operates near steady state due to the relatively low cost of intermediate ammonia buffer storage. A mix of imported methane and locally produced hydrogen are used to provide heat for steam consumed in the urea synthesis.

Chemistry↗
DOE OSTI2024

BioSiting Tool (BioSiting) v2

The BioSiting Tool provides a geospatial interface for analyzing bioeconomy resources and infrastructure across the continental U.S. The tool integrates empirical and modeled data from a broad range of sources. Bioeconomy resources mapped in the tool include agricultural residues, forest residues, municipal solid waste streams, food waste, manure, fats, oils and greases and potential yields of energy crops. Infrastructure mapped in the tool includes biorefineries, material recovery facilities, anaerobic digesters, wastewater treatment plants, combustion plants, district energy systems, crude oil pipelines, petroleum pipelines, natural gas pipelines, railways and freight terminals. Additional data layers include environmental justice indicators at the census tract level and carbon dioxide geologic storage potential. Users can select a location on the map, define a buffer radius in kilometers and generate an inventory of all bioecomony resources within the buffer zone. Data from the tool can be downloaded from individual buffer zones, or at the state or national level.

Huntington, Tyler↗
DOE OSTI2025

DEVELOPMENT OF AN INTEGRATED SECURITY AND SAFETY MONITORING SYSTEM FOR SPENT NUCLEAR FUEL AND HIGH-LEVEL WASTE TRANSPORTATION

This paper provides an overview of the progress to date, and discussion of the path forward, related to designing, fabricating, and testing an integrated security and safety monitoring system (ISSMS) for railcars used to transport spent nuclear fuel (SNF) and high-level radioactive waste (HLW) in the United States. The system will comply with the US Department of Energy’s (DOE) Order 460.2B “Departmental Materials Transportation Management” and the Association of American Railroads’ (AAR) standard S-2043 “Performance Specification for Trains Used to Carry High-level Radioactive Material” [1] developed specifically for railcars used to transport high-level radioactive material (HLRM). DOE is in the process of developing and testing an ISSMS that will satisfy both DOE requirements and AAR standards. DOE has already developed railcar designs for transportation of HLRM. In 2024, DOE’s Atlas railcar project completed the design, fabrication and testing of three railcar types: transportation cask-carrying, buffer, and security escort, resulting in AAR conditional approval to operate on freight rail networks in North America. DOE decided to combine the required security and safety systems into one system, and this combined system is the subject of the current effort. DOE is developing and proposes to implement the ISSMS for these railcars as part of the build out of the railcar fleet. DOE began planning for development of the ISSMS in February 2020. The project is divided into seven phases starting with conceptual design and continuing through production design, as shown in Figure 1. An earlier version of the system was tested as part of the Atlas railcar consist demonstration test run in 2023. This paper describes the design features and system testing using the Atlas project railcars, and laboratory testing completed to date. The paper will also describe the activities planned to support the DOE project to ship the High Burn-Up Research Cask (HBRC) in 2027.

Schultze, Michael [ORNL] (ORCID:0000000283205671)↗
NASA NTRS2002

Single Junction InGaP/GaAs Solar Cells Grown on Si Substrates using SiGe Buffer Layers

Single junction InGaP/GaAs solar cells displaying high efficiency and record high open circuit voltage values have been grown by metalorganic chemical vapor deposition on Ge/graded SiGe/Si substrates. Open circuit voltages as high as 980 mV under AM0 conditions have been verified to result from a single GaAs junction, with no evidence of Ge-related sub-cell photoresponse. Current AM0 efficiencies of close to 16% have been measured for a large number of small area cells, whose performance is limited by non-fundamental current losses due to significant surface reflection resulting from greater than 10% front surface metal coverage and wafer handling during the growth sequence for these prototype cells. It is shown that at the material quality currently achieved for GaAs grown on Ge/SiGe/Si substrates, namely a 10 nanosecond minority carrier lifetime that results from complete elimination of anti-phase domains and maintaining a threading dislocation density of approximately 8 x 10(exp 5) per square centimeter, 19-20% AM0 single junction GaAs cells are imminent. Experiments show that the high performance is not degraded for larger area cells, with identical open circuit voltages and higher short circuit current (due to reduced front metal coverage) values being demonstrated, indicating that large area scaling is possible in the near term. Comparison to a simple model indicates that the voltage output of these GaAs on Si cells follows ideal behavior expected for lattice mismatched devices, demonstrating that unaccounted for defects and issues that have plagued other methods to epitaxially integrate III-V cells with Si are resolved using SiGe buffers and proper GaAs nucleation methods. These early results already show the enormous and realistic potential of the virtual SiGe substrate approach for generating high efficiency, lightweight and strong III-V solar cells.

Ringel, S. A.↗
NASA NTRS2012

Evaluation of Niobium as Candidate Electrode Material for DC High Voltage Photoelectron Guns

The field emission characteristics of niobium electrodes were compared to those of stainless steel electrodes using a DC high voltage field emission test apparatus. A total of eight electrodes were evaluated: two 304 stainless steel electrodes polished to mirror-like finish with diamond grit and six niobium electrodes (two single-crystal, two large-grain, and two fine-grain) that were chemically polished using a buffered-chemical acid solution. Upon the first application of high voltage, the best large-grain and single-crystal niobium electrodes performed better than the best stainless steel electrodes, exhibiting less field emission at comparable voltage and field strength. In all cases, field emission from electrodes (stainless steel and/or niobium) could be significantly reduced and sometimes completely eliminated, by introducing krypton gas into the vacuum chamber while the electrode was biased at high voltage. Of all the electrodes tested, a large-grain niobium electrode performed the best, exhibiting no measurable field emission (< 10 pA) at 225 kV with 20 mm cathode/anode gap, corresponding to a field strength of 18:7 MV/m.

BastaniNejad, M.↗
DOE OSTI2021

AGR-5/6/7 Irradiation As Run Predictions Using PARFUME

The PARticle FUel ModEl (PARFUME), a fuel performance modeling code used for high-temperature gas-cooled reactors, was used to model the Advanced Gas Reactor (AGR)-5/6/7 irradiation test using as-run physics and thermal data. The AGR-5/6/7 irradiation test consists of the combined fifth, sixth, and seventh planned irradiations of the AGR Fuel Development and Qualification Program. The AGR-5/6/7 test train is a multi-capsule, instrumented experiment that is designed for irradiation in the 133.4-mm diameter northeast flux trap position of the Advanced Test Reactor (ATR) at Idaho National Laboratory. Each capsule contains compacts filled with uranium oxycarbide unaltered fuel particles. This report documents the calculations performed to predict the failure probability of tristructural isotropic (TRISO)-coated fuel particles during the AGR-5/6/7 experiment. In addition, this report documents the calculated fission product release fraction from the fuel. The calculations include modeling of the AGR 5/6/7 irradiation that occurred from February 2018 to July 2020 over nine ATR cycles, including six normal cycles and three power axial locator mechanism cycles, for a total of approximately 376 effective full power days (EFPD). The irradiation conditions and material properties of the AGR-5/6/7 test predicted zero fuel particle failures in Capsules 1, 3, and 4. Fuel particle failures were predicted in two of the compacts in Capsule 2 and one particle failure is predicted in each one of the compacts in Capsule 5. All compacts that exhibited fuel particle failures predicted by PARFUME were caused by localized stress concentrations in the silicon carbide (SiC) layer caused by cracking in the inner pyrolytic (IPyC) layer. In addition, shrinkage of the buffer and IPyC layer during irradiation resulted in formation of a buffer-IPyC gap. Compacts with a lower irradiation temperature and fluence experienced the smallest buffer-IPyC gap formation. Conversely, higher irradiated temperature compacts with a high fluence experienced the largest buffer-IPyC gap formation. Compact 3-6-3 experienced the largest buffer IPyC gap formation of just under 21.7 µm. The release fraction of fission products silver (Ag), cesium (Cs), and strontium (Sr) vary depending on capsule location and irradiation temperature. The maximum release fraction of Ag occurs in Capsule 3, reaching up to 59.5% for the TRISO fuel particles (compact 3-6-3). The release fraction of the other two fission products, Cs and Sr, are much smaller. A maximum Cs release fraction of 1.1% occurred in compact 3-4-3 and 4.4% for Sr in compact 3-6-3.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

In-situ synthesis of porous metal fluoride@carbon composite via simultaneous etching/fluorination enabled superior Li storage performance

Transition metal fluorides as Li-free conversion-type cathode materials have high theoretical specific capacities, however, their preparation strategy, sluggish electrochemical kinetic and poor cyclability have impeded their wide adoption in lithium-ion batteries. Herein, a facile in-situ synthesis of porous metal-fluoride-carbon composites is accomplished via simultaneous polytetrafluorethylene-based hard template etching and metal fluorination. This not only facilitates fast electron transfer and lithium-ion diffusion kinetics, but also buffers severe volume fluctuation during lithiation/delithation and enables the formation of a uniform and thin Li 2 CO 3 /LiF-rich cathode-electrolyte interphase. Here, as a proof of concept, the as-prepared porous FeF 3 @C (p-FeF 3 @C) indeed exhibits a high specific capacity of 230 mAh g -1 at 0.1 C together with an excellent capacity retention of 92.5% at 1 C for 200-cycles. Moreover, the practicality of the strategy is demonstrated by the superb electrochemical performance of the full-cells coupled with pre-lithiated graphite anodes. Therefore, the proposed novel synthetic strategy will enlighten the future design of high-performance metal-fluoride-carbon composites with porous structure for energy storage applications.

25 ENERGY STORAGE↗
NASA NTRS1984

Shuttle-Car System for Continuous Mining

Buffer storage catches coal production between loadings. Telescoping reservoir filled continuously. With tailgate down, shuttle car slides into place along sides and bottom of reservoir. Reservoir retracts along inside of car and out through tailgate, leaving coal behind in car. System not restricted to coal mining and may prove economical for hauling other solid materials.

Collins, E. R., Jr.↗
NASA NTRS1996

Method of fabricating multiwavelength infrared focal plane array detector

A multiwavelength local plane array infrared detector is included on a common substrate having formed on its top face a plurality of In.sub.x Ga.sub.1-x As (x.ltoreq.0.53) absorption layers, between each pair of which a plurality of InAs.sub.y P.sub.1-y (y.ltoreq.1) buffer layers are formed having substantially increasing lattice parameters, respectively, relative to said substrate, for preventing lattice mismatch dislocations from propagating through successive ones of the absorption layers of decreasing bandgap relative to said substrate, whereby a plurality of detectors for detecting different wavelengths of light for a given pixel are provided by removing material above given areas of successive ones of the absorption layers, which areas are doped to form a pn junction with the surrounding unexposed portions of associated absorption layers, respectively, with metal contacts being formed on a portion of each of the exposed areas, and on the bottom of the substrate for facilitating electrical connections thereto.

Forrest, Stephen R.↗
NASA NTRS1995

Multiwavelength infrared focal plane array detector

A multiwavelength focal plane array infrared detector is included on a common substrate having formed on its top face a plurality of In.sub.x Ga.sub.1-x As (x.ltoreq.0.53) absorption layers, between each pair of which a plurality of InAs.sub.y P.sub.1-y (y<1) buffer layers are formed having substantially increasing lattice parameters, respectively, relative to said substrate, for preventing lattice mismatch dislocations from propagating through successive ones of the absorption layers of decreasing bandgap relative to said substrate, whereby a plurality of detectors for detecting different wavelengths of light for a given pixel are provided by removing material above given areas of successive ones of the absorption layers, which areas are doped to form a pn junction with the surrounding unexposed portions of associated absorption layers, respectively, with metal contacts being formed on a portion of each of the exposed areas, and on the bottom of the substrate for facilitating electrical connections thereto.

Forrest, Stephen R.↗
NASA NTRS2007

Compact Microwave Mercury Ion Clock for Deep-Space Applications

We have recently completed a breadboard ion-dock physics package based on Kg ions shuttled between a quadrupole and a 16-pole rf trap. With this architecture we have demonstrated short-term stability -1-2xl0-13 at 1 second, averaging to 10-15 at 1 day. This development shows that 8- maser quality stabilities can be produced in a small clock package, comparable in size to an oItra-stable quartz oscillator required for holding 1-2xl0-13 at 1 second. This performance was obtained in a sealed vacuum configuration where only agetter pump was used to maintain vacuum. The vacuum tube containing the traps has now been onder sealed vacuum conditions for nearly two years with no measurable degradation of ion trapping lifetimes or clock short-term performance. We have fabricated the vacuum tube, ion trap and UV windows from materials that will allow a - 400 C tube bake-out to prepare for tube sealoff. This approach to the vacuum follows the methods used in mght vacuum tube electronics, such as flight TWTA's where tube operation lifetime and shelf life of up to 15 years is achieved. We use neon as a buffer gas with 2-3 times less pressure induced frequency pulling than helium and, being heavier, negligable diffusion losses will occur over the operation lifetime.

space clock↗