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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Redox Catalytic and Quasi-Solid Sulfur Conversion for High Capacity Lean Lithium Sulfur Batteries

The practical deployment of lithium sulfur batteries demands stable cycling of high loading and dense sulfur cathodes under lean electrolyte conditions, which is very difficult to realize. We describe here a strategy of fabricating extremely dense sulfur cathodes, designed by integrating Mo6S8 nanoparticles as a multi-functional mediator with a Li-ion conducting binder and a high-performance Fe3O4@N-carbon sulfur host. The Mo6S8 nanoparticles have substantially faster Li-ion insertion kinetics compared with sulfur, and the produced LixMo6S8 particles have spontaneous redox reactivity with relevant polysulfide species (such as Li4Mo6S8 + Li2S4 <-> Li3Mo6S8 + Li2S, Delta G = -84 kJ mol(-1)), which deliver a true redox catalytic sulfur conversion mechanism. In addition, LixMo6S8 particles strongly absorb polysulfide during battery cycling, which provides a quasi-solid sulfur conversion pathway and almost eliminated polysulfide dissolution. Such a pathway not only promotes growth of uniform Li2S that can be readily charged back with nearly no overpotential, but also mitigates the polysulfide-induced Li metal corrosion issue. The combination of these benefits enables stable and high capacity cycling of dense sulfur cathodes under a low electrolyte to sulfur ratio (4.2 mu L mg(-1)), as demonstrated with cathodes with volumetric capacities of at least 1.3 Ah cm(-3) and capacity retentions of similar to 80% for 300 cycles. Furthermore, stable cycling of batteries under a practically relevant N/P ratio of 2.4 is also demonstrated.

lean electrolyte↗
DOE OSTI2017

Oxygen-storage behavior and local structure in Ti-substituted YMnO{sub 3}

Hexagonal manganates RMnO{sub 3} (R=Y, Ho, Dy) have been recently shown to exhibit oxygen-storage capacities promising for three-way catalysts, air-separation, and related technologies. Here, we demonstrate that Ti substitution for Mn can be used to chemically tune the oxygen-breathing properties of these materials towards practical applications. Specifically, Y(Mn{sub 1−x}Ti{sub x})O{sub 3} solid solutions exhibit facile oxygen absorption/desorption via reversible Ti{sup 3+}↔Ti{sup 4+} and Mn{sup 3+}↔Mn{sup 4+} reactions already in ambient air at ≈400 °C and ≈250 °C, respectively. On cooling, the oxidation of both cations is accompanied by oxygen uptake yielding a formula YMn{sup 3+}{sub 1−x-y}Mn{sup 4+}{sub y}Ti{sup 4+}{sub x}O{sub 3+δ}. The presence of Ti promotes the oxidation of Mn{sup 3+} to Mn{sup 4+}, which is almost negligible for YMnO{sub 3} in air, thereby increasing the uptake of oxygen beyond that required for a given Ti{sup 4+} concentration. The reversibility of the redox reactions is limited by sluggish kinetics; however, the oxidation process continues, if slowly, even at room temperature. The extra oxygen atoms are accommodated by the large interstices within a triangular lattice formed by the [MnO{sub 5}] trigonal bipyramids. According to bond distances from Rietveld refinements using the neutron diffraction data, the YMnO{sub 3} structure features under-bonded Mn and even more severely under-bonded oxygen atoms that form the trigonal bases of the [MnO{sub 5}] bipyramids. The tensile bond strain around the 5-fold coordinated Mn site and the strong preference of Ti{sup 4+}(and Mn{sup 4+}) for higher coordination numbers likely provide driving forces for the oxidation reaction. Reverse Monte Carlo refinements of the local atomic displacements using neutron total scattering revealed how the excess oxygen atoms are accommodated in the structure by correlated local displacements of the host atoms. Large displacements of the under-bonded host oxygen atoms play a key part in this lattice-relaxation process, facilitating reversible exchange of significant amounts of oxygen with atmosphere. - Graphical abstract: Concurrent redox reactions involving Ti and Mn yield facile absorption/desorption of excess oxygen. - Highlights: • Concurrent redox reactions involving Ti and Mn yield oxygen absorption/desorption. • Excess oxygen is accommodated as interstitials via correlated atomic shifts. • Oxygen breathing is facilitated by the under-bonding of host Mn and O atoms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Amelioration of UVB-induced oxidative stress and inflammation in fat-1 transgenic mouse skin

ω-3 polyunsaturated fatty acids (PUFAs), which are abundant in fish oils, are known to scavenge lipid peroxyl radicals and potentiate host immune defence. As UVB-induced oxidative stress and inflammation have been implicated in apoptotic cell death, this study was aimed to investigate the anti-inflammatory, anti-oxidative, and anti-apoptotic capacity of fat-1 transgenic mice capable of converting ω-6 to ω-3 PUFAs. Wild-type (WT) C57BL/6 mice and fat-1 mice were maintained on the AIN-93 diet supplemented with 10% safflower oil rich in ω-6 PUFAs for 5 weeks. The ω-3/ω-6 PUFA ratio was significantly higher in the dorsal skin of fat-1 mice than that in the WT mice. Upon single exposure to UVB (5.0 kJ/m{sup 2}) radiation, fat-1 mice showed inflammatory as well as oxidative tissue damage and the expression of pro-inflammatory enzymes, cyclooxygenases-2 and inducible nitric oxide synthase in the skin to a much lesser extent than the WT mice. The protection of fat-1 mice from UVB-induced skin inflammation was associated with decreased phosphorylation of STAT3. Moreover, UVB-induced apoptosis was attenuated in fat-1 mouse skin. In comparison to WT animals, higher levels of Nrf2 and its target proteins, such as heme oxygenase-1, NAD(P)H:quinone oxidoreductase-1 and thioredoxin-1, were found in the skin of fat-1 mice.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Structure of the virulence-associated protein VapD from the intracellular pathogen Rhodococcus equi

VapD is one of a set of highly homologous virulence-associated proteins from the multi-host pathogen Rhodococcus equi. The crystal structure reveals an eight-stranded β-barrel with a novel fold and a glycine rich ‘bald’ surface. Rhodococcus equi is a multi-host pathogen that infects a range of animals as well as immune-compromised humans. Equine and porcine isolates harbour a virulence plasmid encoding a homologous family of virulence-associated proteins associated with the capacity of R. equi to divert the normal processes of endosomal maturation, enabling bacterial survival and proliferation in alveolar macrophages. To provide a basis for probing the function of the Vap proteins in virulence, the crystal structure of VapD was determined. VapD is a monomer as determined by multi-angle laser light scattering. The structure reveals an elliptical, compact eight-stranded β-barrel with a novel strand topology and pseudo-twofold symmetry, suggesting evolution from an ancestral dimer. Surface-associated octyl-β-d-glucoside molecules may provide clues to function. Circular-dichroism spectroscopic analysis suggests that the β-barrel structure is preceded by a natively disordered region at the N-terminus. Sequence comparisons indicate that the core folds of the other plasmid-encoded virulence-associated proteins from R. equi strains are similar to that of VapD. It is further shown that sequences encoding putative R. equi Vap-like proteins occur in diverse bacterial species. Finally, the functional implications of the structure are discussed in the light of the unique structural features of VapD and its partial structural similarity to other β-barrel proteins.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Encapsulating phosphorus inside carbon nanotubes via a solution approach for advanced lithium ion host

Conventional phosphorus anode materials in lithium/sodium-ion batteries are mainly based on the physical mixing and evaporation/condensation, in which external phosphorus on conductive matrix is unavoidable and hard to be removed due to the formation of crystalline phase. It has been found to break off from conductive matrix easily and deteriorate capacity rapidly. In this communication, we first report a solution processed encapsulation method which facilitates phosphorus anchored inside multi-walled carbon nanotubes (MWCNTs). Any possible external phosphorus adsorbents are hard to transform into crystalline and enable an easy removal by polar solvents. Eventually, the phosphorus rings and chains are successfully encapsulated only inside MWCNTs, exhibiting high cycling stability in lithium-ion battery because of the efficient physical confinement and unique discrete phosphorus segment assemblies inside MWCNTs which ensured enough vacant space for volume expansion.

25 ENERGY STORAGE↗
DOE OSTI2023

Probing sub-5 Ångstrom micropores in carbon for precise light olefin/paraffin separation

Olefin/paraffin separation is an important but challenging and energy-intensive process in petrochemical industry. The realization of carbons with size-exclusion capability is highly desirable but rarely reported. Herein, we report polydopamine-derived carbons (PDA-Cx, where x refers to the pyrolysis temperature) with tailorable sub-5 Å micropore orifices together with larger microvoids by one-step pyrolysis. The sub-5 Å micropore orifices centered at 4.1–4.3 Å in PDA-C800 and 3.7–4.0 Å in PDA-C900 allow the entry of olefins while entirely excluding their paraffin counterparts, performing a precise cut-off to discriminate olefin/paraffin with sub-angstrom discrepancy. The larger voids enable high C 2 H 4 and C 3 H 6 capacities of 2.25 and 1.98 mmol g –1 under ambient conditions, respectively. Breakthrough experiments confirm that a one-step adsorption-desorption process can obtain high-purity olefins. Inelastic neutron scattering further reveals the host–guest interaction of adsorbed C 2 H 4 and C 3 H 6 molecules in PDA-Cx. This study opens an avenue to exploit the sub-5 Å micropores in carbon and their desirable size-exclusion effect.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Double-Layer Kagome Metals Pt 3 Tl 2 and Pt 3 In 2

The connectivity and inherent frustration of the kagome lattice can produce interesting electronic structures and behaviors in compounds containing this structural motif. Here we report the properties of Pt 3 X 2 (X = In and Tl) that adopt a double-layer kagome net structure related to that of the topologically nontrivial high-temperature ferromagnet Fe 3 Sn 2 and the density wave hosting compound V 3 Sb 2 . We examined the structural and physical properties of single crystal Pt 3 Tl 2 and polycrystalline Pt 3 In 2 using X-ray and neutron diffraction, magnetic susceptibility, heat capacity, and electrical transport measurements, along with density functional theory calculations of the electronic structure. Our calculations show that Fermi levels lie in pseudogaps in the densities of states with several bands contributing to transport, and this is consistent with our Hall effect, magnetic susceptibility, and heat capacity measurements. Although electronic dispersions, characteristic of simple kagome nets with nearest-neighbor hopping, are not clearly seen, likely due to the extended nature of the Pt 5d states, we do observe moderately large and non-saturating magnetoresistance values and quantum oscillations in the magnetoresistance and magnetization associated with the kagome nets of Pt.

36 MATERIALS SCIENCE↗
NASA NTRS2014

America's Next Great Ship: Space Launch System Core Stage Transitioning from Design to Manufacturing

The Space Launch System (SLS) Program is essential to achieving the Nation's and NASA's goal of human exploration and scientific investigation of the solar system. As a multi-element program with emphasis on safety, affordability, and sustainability, SLS is becoming America's next great ship of exploration. The SLS Core Stage includes avionics, main propulsion system, pressure vessels, thrust vector control, and structures. Boeing manufactures and assembles the SLS core stage at the Michoud Assembly Facility (MAF) in New Orleans, LA, a historical production center for Saturn V and Space Shuttle programs. As the transition from design to manufacturing progresses, the importance of a well-executed manufacturing, assembly, and operation (MA&O) plan is crucial to meeting performance objectives. Boeing employs classic techniques such as critical path analysis and facility requirements definition as well as innovative approaches such as Constraint Based Scheduling (CBS) and Cirtical Chain Project Management (CCPM) theory to provide a comprehensive suite of project management tools to manage the health of the baseline plan on both a macro (overall project) and micro level (factory areas). These tools coordinate data from multiple business systems and provide a robust network to support Material & Capacity Requirements Planning (MRP/CRP) and priorities. Coupled with these tools and a highly skilled workforce, Boeing is orchestrating the parallel buildup of five major sub assemblies throughout the factory. Boeing and NASA are transforming MAF to host state of the art processes, equipment and tooling, the most prominent of which is the Vertical Assembly Center (VAC), the largest weld tool in the world. In concert, a global supply chain is delivering a range of structural elements and component parts necessary to enable an on-time delivery of the integrated Core Stage. SLS is on plan to launch humanity into the next phase of space exploration.

Birkenstock, Benjamin↗
DOE OSTI2016

Logistics Modeling of Emplacement Rate and Duration of Operations for Generic Geologic Repository Concepts - 16529

This study (1) identifies 16 potential geologic repository concepts for disposal of commercial spent nuclear fuel (SNF) and (2) evaluates the achievable repository waste emplacement rate and time needed to complete disposal for these concepts. Total repository capacity is assumed to be 140,000 MTU of spent fuel. The results provide important input to rough-order-of-magnitude (ROM) cost estimates for SNF disposal alternatives. The disposal concepts cover three categories of host geologic media: crystalline, salt, and argillaceous rock. Four waste package sizes are considered: 4PWR/9BWR; 12PWR/21BWR; 21PWR/44BWR, and dual purpose canisters (DPCs) packaged for disposal. Each concept is associated with package thermal power limits for emplacement and repository closure (the same for some concepts). To estimate the repository emplacement rate and duration of operations, logistical simulations were performed using assumptions on interim SNF storage, disposition of SNF stored in DPCs, repository opening date, and throughput rates for storage and disposal facilities. The simulations demonstrate that all concepts and scenarios, with few exceptions, are similar with regard to achievable emplacement rate and duration of operations. Throughput of 3,000 MTU per year can be maintained during the first 44 years of repository operations. Most of the inventory (99%) can be emplaced within 54 years of repository operations (the remaining 1% could require additional aging or smaller packages). Estimating ROM disposal cost was not an objective of this analysis, however, an example of disposal cost is provided to demonstrate key differences between concepts. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Rapid gas-assisted exfoliation promises V 2 O 5 nanosheets for high performance lithium-sulfur batteries

Scalable synthesis of ultra-thin two-dimensional (2D) nanomaterials by exfoliation has emerged as an intriguing approach in the energy field. In this work, a rapid thermal expansion-triggered gas-assisted exfoliation method is applied to synthesize ultra-thin 2D V 2 O 5 nanosheets. Unlike other methods, no impurities can be introduced during exfoliation, leading extremely clean 2D nanosheets that are crucial for the investigation of 2D materials in charge-storage fields. The obtained V 2 O 5 nanosheets were used as effective host materials for polysulfides in lithium-sulfur batteries, as they can help to confine and alleviate the shuttle of polysulfides efficiently. The as-prepared V 2 O 5 –S composite electrode delivered an initial discharge capacity of 1638.5 mAh g -1 with a high Coulombic efficiency of 96.7% and maintained a specific capacity of 838.8 mAh g -1 after 200 cycles at 0.1 C current rate. This work supplies a facile approach to obtain transition metal oxides nanosheets, which have potential applications in energy storage and conversion fields.

25 ENERGY STORAGE↗
DOE OSTI2014

Characterization of a novel insect-specific flavivirus from Brazil: Potential for inhibition of infection of arthropod cells with medically important flaviviruses.

In the past decade, there has been an upsurge in the number of newly described insect-specific flaviviruses isolated pan-globally. We recently described the isolation of a novel flavivirus (tentatively designated ‘Nhumirim virus’; NHUV) that represents an example of a unique subset of apparently insect-specific viruses that phylogenetically affiliate with dual-host mosquito-borne flaviviruses despite appearing to be limited to replication in mosquito cells. We characterized the in vitro growth potential and 3' untranslated region (UTR) sequence homology with alternative flaviviruses, and evaluated the virus’s capacity to suppress replication of representative Culex spp.-vectored pathogenic flaviviruses in mosquito cells. Only mosquito cell lines were found to support NHUV replication, further reinforcing the insect-specific phenotype of this virus. Analysis of the sequence and predicted RNA secondary structures of the 3' UTR indicated NHUV to be most similar to viruses within the yellow fever serogroup and Japanese encephalitis serogroup, and viruses in the tick-borne flavivirus clade. NHUV was found to share the fewest conserved sequence elements when compared with traditional insect-specific flaviviruses. This suggests that, despite apparently being insect specific, this virus probably diverged from an ancestral mosquito-borne flavivirus. Co-infection experiments indicated that prior or concurrent infection of mosquito cells with NHUV resulted in a significant reduction in virus production of West Nile virus (WNV), St Louis encephalitis virus (SLEV) and Japanese encephalitis virus. As a result, the inhibitory effect was most effective against WNV and SLEV with over a 106-fold and 104-fold reduction in peak titres, respectively.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

NLR Engage™: A Calliope Web Environment for Collaborative Energy Systems Modeling and Planning [SWR-20-16]

NLR Engage™ is a free, open-access energy system planning tool that allows multiple users/stakeholders to develop and collaborate on capacity expansion models. The tool, developed at the National Laboratory of the Rockies (NLR), provides a collaborative and easy-to-use interface built on Calliope, a multi-scale energy systems modeling framework. Visit the NLR hosted webtool at https://engage.nlr.gov/en/login/?next=/en/

Harris, Tom↗
NASA NTRS2016

NH11B-1726: FrankenRaven: A New Platform for Remote Sensing

Small, modular aircraft are an emerging technology with a goal to maximize flexibility and enable multi-mission support. This reports the progress of an unmanned aerial system (UAS) project conducted at the NASA Ames Research Center (ARC) in 2016. This interdisciplinary effort builds upon the success of the 2014 FrankenEye project to apply rapid prototyping techniques to UAS, to develop a variety of platforms to host remote sensing instruments. In 2016, ARC received AeroVironment RQ-11A and RQ-11B Raven UAS from the US Department of the Interior, Office of Aviation Services. These aircraft have electric propulsion, a wingspan of roughly 1.3m, and have demonstrated reliability in challenging environments. The Raven airframe is an ideal foundation to construct more complex aircraft, and student interns using 3D printing were able to graft multiple Raven wings and fuselages into FrankenRaven aircraft. Aeronautical analysis shows that the new configuration has enhanced flight time, payload capacity, and distance compared to the original Raven. The FrankenRaven avionics architecture replaces the mil-spec avionics with COTS technology based upon the 3DR Pixhawk PX4 autopilot with a safety multiplexer for failsafe handoff to 2.4 GHz RC control and 915 MHz telemetry. This project demonstrates how design reuse, rapid prototyping, and modular subcomponents can be leveraged into flexible airborne platforms that can host a variety of remote sensing payloads and even multiple payloads. Modularity advances a new paradigm: mass-customization of aircraft around given payload(s). Multi-fuselage designs are currently under development to host a wide variety of payloads including a zenith-pointing spectrometer, a magnetometer, a multi-spectral camera, and a RGB camera. After airworthiness certification, flight readiness review, and test flights are performed at Crows Landing airfield in central California, field data will be taken at Kilauea volcano in Hawaii and other locations.

remote sensing↗
DOE OSTI2020

Nanoconfinement of Molecular Magnesium Borohydride Captured in a Bipyridine-Functionalized Metal-Organic Framework

The lower limit of metal hydride nanoconfinement is demonstrated through the coordination of a molecular hydride species to binding sites inside the pores of a metal-organic framework (MOF). Magnesium borohydride, which has a high hydrogen capacity, is incorporated into the pores of UiO-67bpy (Zr6O4(OH)4(bpydc)6 with bpydc2- = 2,2'-bipyridine-5,5'- dicarboxylate) by solvent impregnation. The MOF retained its long-range order, and transmission electron microscopy and elemental mapping confirmed the retention of the crystal morphology and revealed a homogeneous distribution of the hydride within the MOF host. Notably, the B-, N-, and Mg-edge XAS data confirm the coordination of Mg(II) to the N atoms of the chelating bipyridine groups. In situ 11B MAS NMR studies helped elucidate the reaction mechanism and revealed that complete hydrogen release from Mg(BH4)2 occurs as low as 200 °C. Sieverts and thermogravimetric measurements indicate an increase in the rate of hydrogen release, with the onset of hydrogen desorption as low as 120 °C, which is approximately 150 °C lower than that of the bulk material. Furthermore, density functional theory calculations support the improved dehydrogenation properties and confirm the drastically lower activation energy for B-H bond dissociation.

Nanoconfinement, Metal Hydrides, Metal-Organic Fra↗
DOE OSTI2024

K–Co–Mo–S x chalcogel: high-capacity removal of Pb 2+ and Ag + and the underlying mechanisms

Chalcogenide-based aerogels, known as chalcogels, represent a novel class of nanoparticle-based porous amorphous materials characterized by high surface polarizability and Lewis base properties, exhibiting promising applications in clean energy and separation science. This work presents a K–Co–Mo–S x (KCMS) chalcogel as a highly efficient sorbent for heavy metal ions and details its sorption mechanisms. Its incoherent structure comprises Mo 2 V (S 2 ) 6 and Mo 3 IV S(S 6 ) 2 anion-like clusters with four- and six-coordinated Co–S polyhedra, forming a Co–Mo–S covalent network that hosts K + ions through electrostatic attraction. The interactions of KCMS with heavy metal ions, particularly Pb 2+ and Ag + , reveal that KCMS is exceptionally effective in removing these ions from ppm concentrations down to trace levels (≤5 ppb). KCMS rapidly removes Ag + (≈81.7%) and Pb 2+ (≈99.5%) within five minutes, achieving >99.9% removal within an hour, with a distribution constant K d ≥10 8 mL g -1 . KCMS exhibits an impressive removal capacity of 1378 mg g -1 for Ag + and 1146 mg g -1 for Pb 2+ , establishing it as one of the most effective materials known to date for heavy metal removal. This material is also effective for the removal of Ag + and Pb 2+ along with Hg 2+ , Ni 2+ , Cu 2+ , and Cd 2+ from various water sources even in the presence of highly concentrated and chemically diverse cations, anions, and organic species. Analysis of the post-interacted KCMS by synchrotron X-ray pair distribution function (PDF), X-ray photoelectron spectroscopy (XPS) and energy dispersive X-ray spectroscopy (EDS) revealed that the sorption of Pb 2+ , Ag + , and Hg 2+ mainly occurs by the exchange of K + and Co 2+ . Despite being amorphous, this material exhibits unprecedented ion-exchange mechanisms both for the ionically and covalently bound K + and Co 2+ , respectively. In conclusion, this discovery advances our knowledge of amorphous gels and guides material synthesis principles for the highly selective and efficient removal of heavy metal ions from water.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Revisiting the Role of Conductivity and Polarity of Host Materials for Long-Life Lithium–Sulfur Battery

Despite their high theoretical energy density and low cost, lithium-sulfur batteries (LSBs) suffer from poor cycle life and low energy efficiency owing to the polysulfides shuttle and the electronic insulating nature of sulfur. Conductivity and polarity are two critical parameters for the search of optimal sulfur host materials. However, their role in immobilizing polysulfides and enhancing redox kinetics for long-life LSBs are not fully understood. In this work we have conducted an evaluation on the role of polarity over conductivity by using a polar but nonconductive platelet ordered mesoporous silica (pOMS) and its replica platelet ordered mesoporous carbon (pOMC), which is conductive but nonpolar. It is found that the polar pOMS/S cathode with a sulfur mass fraction of 80 wt% demonstrates outstanding long-term cycle stability for 2000 cycles even at a high current density of 2C. Furthermore, the pOMS/S cathode with a high sulfur loading of 6.5 mg cm -2 illustrates high areal and volumetric capacities with high capacity retention. Complementary physical and electrochemical probes clearly show that surface polarity and structure are more dominant factors for sulfur utilization efficiency and long-life, while the conductivity can be compensated by the conductive agent involved as a required electrode material during electrode preparation. The present findings shed new light on the design principles of sulfur hosts towards long-life and highly efficient LSBs.

25 ENERGY STORAGE↗