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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Enlargement of Step-Free SiC Surfaces by Homoepitaxial Web-Growth of Thin SiC Cantilevers

Lateral homoepitaxial growth of thin cantilevers emanating from mesa patterns that were reactive ion etched into on-axis commercial SiC substrates prior to growth is reported. The thin cantilevers form after pure stepflow growth removes almost all atomic steps from the top surface of a mesa, after which additional adatoms collected by the large step-free surface migrate to the mesa sidewall where they rapidly incorporate into the crystal near the top of the mesa sidewall. The lateral propagation of the step-free cantilevered surface is significantly affected by pregrowth mesa shape and orientation, with the highest lateral expansion rates observed at the inside concave comers of V-shaped pregrowth mesas with arms lengthwise oriented along the {1100} direction. Complete spanning of the interiors of V's and other mesa shapes with concave comers by webbed cantilevers was accomplished. Optical microscopy, synchrotron white beam x-ray topography and atomic force microscopy analysis of webbed regions formed over a micropipe and closed-core screw dislocations show that c-axis propagation of these defects is terminated by the webbing. Despite the nonoptimized process employed in this initial study, webbed surfaces as large as 1.4 x 10(exp -3) square centimeters, more than four times the pregrowth mesa area, were grown. However, the largest webbed surfaces were not completely free of bilayer steps, due to unintentional growth of 3C-SiC that occurred in the nonoptimized process. Further process optimization should enable larger step-free webs to be realized.

Neudeck, Philip G.↗
DOE OSTI2025

Resolving Issues Regarding Disposal of Safeguarded Nuclear Materials: Concepts for Near Surface and Intermediate Depth Disposal sites

This document presents two case studies on nuclear waste disposal to explore the safeguards challenges and potential solutions present under each scenario. Both involve the disposal of nuclear materials, either for waste containing safeguarded nuclear materials or waste where safeguards on the nuclear materials have been previously terminated. The first case study is that of a low-level waste (LLW) repository that is situated near the surface. This facility will accept safeguarded nuclear materials for disposal. Examples of this type of activity are rare, but the potential for more facilities of this type is very possible as States become more comfortable with considering safeguards measures in perpetuity on deep geological repositories. The second study extends this to the case of terminated wastes at an intermediate depth disposal site. In this case, the reasons why terminated nuclear materials could be found in these disposal facilities and how obligations under the Comprehensive Safeguards Agreement (CSA) and Additional Protocol (AP) are met when the disposed waste items are intermediate level waste (ILW) or high-level waste (HLW).

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
NASA NTRS1988

Cretaceous-Tertiary boundary in the Antarctic: Climatic cooling precedes biotic crisis

Stable isotopic investigations were conducted on calcareous microfossils across two deep sea Cretaceous-Tertiary boundary sequences on Maud Rise, Weddell Sea, Antarctica. The boundary is taken at the level of massive extinctions in calcareous planktonic microfossils, and coincides with a sharp lithologic change from pure calcareous ooze to calcareous ooze with a large volcanic clay component. The uppermost Maestrichtian is marked by a long-term decrease in delta value of 0 to 18 which spans most of the lower and middle A. mayaroensis Zone and represents a warming trend which culminated in surface water temperatures of about 16 C. At approximately 3 meters below the K-T boundary this warming trend terminates abruptly and benthic and planktonic isotopic records exhibit a rapid increase in delta value of 0 to 18 that continues up to the K-T boundary. The trend towards cooler surface water temperatures stops abruptly at the K-T boundary and delta value of 0 to 18 values remain relatively stable through the Paleocene. Comparison of the Antarctic sequence with the previously documented deep sea records in the South Atlantic reveal shifts of similar magnitude in the latest Maestrichtian. It is indicated that the Southern Ocean underwent the most significant, and apparently permanent, climatic change. The latest Cretaceous oxygen isotopic shift recorded at Maud Rise and other deep sea sites is similar in magnitude to large positive delta valve of 0 to 18 shifts in the middle Eocene, at the Eocene/Oligocene boundary and in the middle Miocene that marked large scale climatic transitions which ultimately lead to cryospheric development of the Antarctic. The climatic shift at the end of the Cretaceous represents one of the most significant climatic transitions recorded in the latest Phanerozoic and had a profound effect on global climate as well as oceanic circulation.

Stott, Lowell D.↗
DOE OSTI2023

Assessing the Role of Interfacial and Metal Sites in Pt/TiO2-Catalyzed Acetic Acid Hydrodeoxygenation

Thermochemical conversion of biomass to produce drop-in quality biofuels typically involves hydrodeoxygenation (HDO) steps following catalytic fast pyrolysis (CFP) to remove excess oxygen and create a more-stable bio-oil product. HDO reactions are performed by co-feeding the CFP vapor-phase product and H2 gas over a bi-functional catalyst. Noble-metal catalysts supported on reducible metal oxides (e.g., Pt/TiO2) are active and selective toward these HDO reactions. Griffin and co-workers showed that Pt/TiO2 catalysts promote the desired deoxygenation steps for m-cresol HDO while mitigating undesired C-C bond-breaking steps that reduce the overall value/energy density of the biofuel. Such model-compound studies to inform the design of improved catalysts for HDO chemistry are necessary to improve the overall process economics/efficiencies for biofuels production. One important class of bio-derived compounds that has not been studied extensively with respect to HDO chemistry, particularly at the atomic level, is carboxylic acids. Past experimental work indicates that Pt/C and Pt/TiO2 catalysts are selective toward C-C and C-O bond-dissociation products for acetic acid HDO, respectively. To understand the role of Pt/TiO2 active sites in this observed change in selectivity and guide catalyst development, the work in this presentation focuses on modeling the role of Pt-metal and Pt-TiO2-interfacial sites in promoting key C-C bond-breaking, C-O bond-breaking, and (de)hydrogenation steps in acetic acid HDO. Density functional theory (DFT) calculations were performed using the Vienna Ab initio Simulation Package (VASP). The exchange-correlation functional was approximated by the Perdew-Burke-Ernzerhof functional. Dispersion interactions were captured using the D3 method. Projector augmented-wave potentials described electron-ion interactions, and electron wavefunctions were expanded via a planewave basis with an energy cutoff of 500 eV. Activation barriers were calculated using the climbing image nudged elastic band method. Results and Discussion: To discern the role of Pt-metal and Pt-TiO2 interface sites in promoting acetic acid HDO chemistry, Pt(111) slab and anatase TiO2(101)-supported Pt-nanowire (PtNW/OH-TiO2) surface models were constructed, respectively. Because H2 is co-fed in HDO reactions, the anatase support was terminated with OH groups. Interfacial vacancies have been shown to facilitate Ru/TiO2-catalyzed phenol HDO; thus, an interfacial model with an OH vacancy was also considered (PtNW/OHv-TiO2). Pt-TiO2-interface sites stabilize adsorption of all studied acetic acid HDO surface intermediates relative to terrace Pt-metal sites, particularly when an interfacial-OH vacancy is present. Oxygenated species prefer to bind at the OH vacancy through the O atom, suggesting a preference for C-O over C-C bond cleavage at these sites. This hypothesis is supported by net-negative and net-positive average shifts in the reaction energy and activation energy barriers for C-O and C-C bond-breaking steps, respectively, at Pt-TiO2-interface sites relative to Pt-metal sites. Using the calculated energetics, the predicted minimum-energy pathway was determined for each surface. Pt(111) is predicted to follow decarboxylation, producing undesired methane and carbon dioxide. Conversely, PtNW/OH-TiO2 and PtNW/OHv-TiO2 are both predicted to produce desired acetaldehyde and ethane. The interfacial vacancy may also play a key role in facilitating the first C-O bond-breaking step in acetic acid HDO, lowering the barrier by 0.6 eV relative to the defect-free interface model. These results demonstrate the critical role of the Pt-TiO2 interface in the shift in acetic acid HDO selectivity experimentally observed on Pt/C and Pt/TiO2 catalysts. The results herein demonstrate the important role of the Pt-TiO2 interface and interfacial oxygen vacancies in improving the carbon efficiency for HDO reactions in CFP upgrading.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗
DOE OSTI2020

Structure of the (110) Ln ScO 3 ( Ln =Gd,Tb,Dy) surfaces

The surface reconstruction on the (110) surface of LnScO 3 (Ln=Gd,Tb,Dy) has been investigated using x-ray photoelectron spectroscopy, atomic force microscopy, and transmission electron diffraction coupled with higher-level density-functional theory methods. The experimental techniques generate constraints on the surface chemistry and structure that are used to inform the theoretical comparison of a number of potential surface structures. The resulting structure is then compared to experimental aberration-corrected transmission electron microscopy results using multislice simulation. The surfaces of both single-crystalline substrates and hydrosauna synthesized nanoparticles exhibit a Sc-rich double layer with a Sc 3 O 4 termination.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Technology Assessment and Modelling of Three Terminal Tandem Solar Cells for In-Space Utilization

NASA seeks a sustained human presence on the lunar surface. High-efficiency and resilient energy systems are critical to supporting habitats, scientific outposts, and lunar surface operations. Photovoltaics have long been the backbone of space power systems, transitioning from silicon solar cells to multi-junction III-V solar cells, which now dominate state-of-the-art (SOA) technology. Multi-junction cells achieve high efficiency by layering semiconductors, each absorbing a specific portion of the solar spectrum. However, efficiency gains are increasingly constrained by device physics and manufacturing complexity. Additionally, higher-order junctions pose challenges for accurate modelling and performance characterization due to difficulties in replicating the AM0 spectrum.

solar cells↗
DOE OSTI2016

Secondary Structures of Ubiquitin Ions Soft-Landed onto Self-Assembled Monolayer Surfaces

The secondary structures of multiply charged ubiquitin ions soft-landed onto self-assembled monolayer (SAM) surfaces were studied using in situ infrared reflection-absorption spectroscopy (IRRAS). Two charge states of ubiquitin, 5+ and 13+, were mass selected separately from a mixture of different charge states produced by electrospray ionization (ESI). The low 5+ charge state represents a native-like folded state of ubiquitin, while the high 13+ charge state assumes an extended, almost linear conformation. Each of the two charge states was soft-landed onto a CH 3- and COOH-terminated SAM of alkylthiols on gold (HSAM and COOH-SAM). HSAM is a hydrophobic surface known to stabilize helical conformations of soft-landed protonated peptides, whereas COOH-SAM is a hydrophilic surface that preferentially stabilizes β-sheet conformations. IRRAS spectra of the soft-landed ubiquitin ions were acquired as a function of time during and after ion soft-landing. Similar to smaller peptide ions, helical conformations of ubiquitin are found to be more abundant on HSAM, while the relative abundance of β-sheet conformations increases on COOH-SAM. The initial charge state of ubiquitin also has a pronounced effect on its conformation on the surface. Specifically, on both surfaces, a higher relative abundance of helical conformations and lower relative abundance of β-sheet conformations is observed for the 13+ charge state compared to the 5+ charge state. Time-resolved experiments indicate that the α-helical band in the spectrum of the 13+ charge state slowly increases with time on the HSAM surface and decreases in the spectrum of the 13+ charge state on COOH-SAM. These results further support the preference of the hydrophobic HSAM surface toward helical conformations and demonstrate that soft-landed protein ions may undergo slow conformational changes during and after deposition.

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

Growth from Solutions, Structure, and Photoluminescence of Single-Crystal Plates of p-Terphenyl and Its Trimethylsilyl Derivative

Samples of single-crystal plates of p-terphenyl (3Р) and its derivative with terminal substituents–Si(CH{sub 3}){sub 3} (TMS-3P-TMS), up to 25–30 mm in size and 400 μm thick, have been obtained for the first time by the solvent–antisolvent growth method. The crystal structure at temperatures of 293 and 85 K is refined for 3Р and solved (for the first time) for TMS-3P-TMS using X-ray diffraction. The habit of crystals and their surface morphology are investigated by methods of optical and laser confocal microscopy. The influence of substituent terminal groups -Si(CH{sub 3}){sub 3} on the growth and structure of TMS-3P-TMS crystals is analyzed based on experimental data. The optical absorption and photoluminescence spectra of solutions and crystalline samples are investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2023

A Data Set of Monthly Freshwater Fluxes From the Greenland Ice Sheet’s Marine-Terminating Glaciers on A Glacier–Basin Scale 2010–2020

The loss of mass from the Greenland ice sheet causes an increasing influx of freshwater to the Greenlandic fjords and the oceans. Freshwater fluxes from marine-terminating glaciers are important to understand fjord circulation and ecosystem dynamics. Here, we present a data set constructed by reformulating existing products into a shared temporal and spatial framework. We combine three publicly available data sets of solid-ice discharge (iceberg), liquid-surface runoff (runoff) and basal melt to present a cohesive overview of the flow of freshwater from marine-terminating glaciers to the Greenlandic fjords. We also calculate glacier drainage basins and compare our findings to previous studies showing that drainage-basin sizes may vary considerably depending on how they were reconstructed. The data set will be a valuable asset to oceanographic, glaciological and marine biological research activities.

Ice mass loss↗
DOE OSTI2023

An Innovative Insight into Performance Degradation of NCM111 Cathode Induced by Suspension of Operation

The lifespan of lithium-ion batteries varies enormously from fundamental study to practical applications. This big difference has been typically ascribed to the high degree of uncertainty in unpredictable and complicated operation conditions in real-life applications. Here, in this paper, we report that the pause of the charging–discharging process, which is frequently operated in practice but rarely studied in academics, is an important reason for the performance degradation of the NCM111 cathode. It is found that the pause during cycling could trigger a remarkable drop in capacity, giving rise to ~30% more capacity decay compared with the continuously cycled sample. In situ synchrotron X-ray diffraction analysis reveals that the harmful H1–H2 phase transition, which typically appears in the initial cycle but disappears in subsequent cycles, is reactivated by the pausing process. The anisotropic lattice strains that occur during the H1–H2 transition result in mechanical fractures that terminate with an inert NiO-type rock-salt phase on the surface of particles. The present study indicates that the discontinuous usage of rechargeable batteries is also a key factor for cycle life, which might provide a distinct perspective on the performance decay in practical applications.

25 ENERGY STORAGE↗
DOE OSTI2016

Crystal structure of the human σ 1 receptor

The human σ 1 receptor is an enigmatic endoplasmic-reticulum-resident transmembrane protein implicated in a variety of disorders including depression, drug addiction, and neuropathic pain. Recently, an additional connection to amyotrophic lateral sclerosis has emerged from studies of human genetics and mouse models. Unlike many transmembrane receptors that belong to large, extensively studied families such as G-protein-coupled receptors or ligand-gated ion channels, the σ 1 receptor is an evolutionary isolate with no discernible similarity to any other human protein. Despite its increasingly clear importance in human physiology and disease, the molecular architecture of the σ 1 receptor and its regulation by drug-like compounds remain poorly defined. Here we report crystal structures of the human σ1 receptor in complex with two chemically divergent ligands, PD144418 and 4-IBP. Here, the structures reveal a trimeric architecture with a single transmembrane domain in each protomer. The carboxy-terminal domain of the receptor shows an extensive flat, hydrophobic membrane-proximal surface, suggesting an intimate association with the cytosolic surface of the endoplasmic reticulum membrane in cells. This domain includes a cupin-like β-barrel with the ligand-binding site buried at its centre. This large, hydrophobic ligand-binding cavity shows remarkable plasticity in ligand recognition, binding the two ligands in similar positions despite dissimilar chemical structures. Taken together, these results reveal the overall architecture, oligomerization state, and molecular basis for ligand recognition by this important but poorly understood protein.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

In situ and selective area etching of GaN by tertiarybutylchloride (TBCl)

In situ etching (ISE) of gallium nitride (GaN) can enable lateral and vertical junctions through selective area etching (SAE) and regrowth. We report the study of ISE and SAE of GaN using an organometallic precursor, tertiarybutylchloride (TBCl), in a metal-organic chemical vapor deposition reactor. Compared to the conventional etching in hydrogen, the use of TBCl allows in situ etching at a much lower temperature (<850 °C), likely due to a more reactive etchant and a more efficient desorption rate of the etching products. The TBCl etching is near equilibrium and can be significantly changed with the change of the NH3 flow rate. We also report initial results of SAE on SiO 2 patterned GaN samples. An important finding is the need to control the desorption of the reaction products in order to achieve smooth surfaces. TBCl etching is crystallographically anisotropic with low etch rates on N-terminated facets. The use of TBCl and possibly other organometallic halogen precursors is expected to enable the design and implementation of III-nitride lateral junction devices that have not been possible.

42 ENGINEERING↗
DOE OSTI2023

Allosteric autoregulation of DNA binding via a DNA-mimicking protein domain: a biophysical study of ZNF410–DNA interaction using small angle X-ray scattering

ZNF410 is a highly-conserved transcription factor, remarkable in that it recognizes a 15-base pair DNA element but has just a single responsive target gene in mammalian erythroid cells. ZNF410 includes a tandem array of five zinc-fingers (ZFs), surrounded by uncharacterized N- and C-terminal regions. Unexpectedly, full-length ZNF410 has reduced DNA binding affinity, compared to that of the isolated DNA binding ZF array, both in vitro and in cells. AlphaFold predicts a partially-folded N-terminal subdomain that includes a 30-residue long helix, preceded by a hairpin loop rich in acidic (aspartate/glutamate) and serine/threonine residues. This hairpin loop is predicted by AlphaFold to lie against the DNA binding interface of the ZF array. In solution, ZNF410 is a monomer and binds to DNA with 1:1 stoichiometry. Surprisingly, the single best-fit model for the experimental small angle X-ray scattering profile, in the absence of DNA, is the original AlphaFold model with the N-terminal long-helix and the hairpin loop occupying the ZF DNA binding surface. For DNA binding, the hairpin loop presumably must be displaced. After combining biophysical, biochemical, bioinformatic and artificial intelligence-based AlphaFold analyses, we suggest that the hairpin loop mimics the structure and electrostatics of DNA, and provides an additional mechanism, supplementary to sequence specificity, of regulating ZNF410 DNA binding.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Crystal Structure of the Human Astrovirus Capsid Protein

Human astrovirus (HAstV) is a leading cause of viral diarrhea in infants and young children worldwide. HAstV is a nonenveloped virus with a T=3 capsid and a positive-sense RNA genome. The capsid protein (CP) of HAstV is synthesized as a 90-kDa precursor (VP90) that can be divided into three linear domains: a conserved N-terminal domain, a hypervariable domain, and an acidic C-terminal domain. Maturation of HAstV requires proteolytic processing of the astrovirus CP both inside and outside the host cell, resulting in the removal of the C-terminal domain and the breakdown of the rest of the CP into three predominant protein species with molecular masses of ~34, 27/29, and 25/26 kDa, respectively. We have now solved the crystal structure of VP90 71–415 (amino acids [aa] 71 to 415 of VP90) of human astrovirus serotype 8 at a 2.15-Å resolution. VP90 71–415 encompasses the conserved N-terminal domain of VP90 but lacks the hypervariable domain, which forms the capsid surface spikes. The structure of VP90 71–415 is comprised of two domains: an S domain, which adopts the typical jelly-roll β-barrel fold, and a P1 domain, which forms a squashed β-barrel consisting of six antiparallel β-strands similar to what was observed in the hepatitis E virus (HEV) capsid structure. Fitting of the VP90 71–415 structure into the cryo-electron microscopy (EM) maps of HAstV produced an atomic model for a continuous, T=3 icosahedral capsid shell. Our pseudoatomic model of the human HAstV capsid shell provides valuable insights into intermolecular interactions required for capsid assembly and trypsin-mediated proteolytic maturation needed for virus infectivity. Such information has potential applications in the development of a virus-like particle (VLP) vaccine as well as small-molecule drugs targeting astrovirus assembly/maturation.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1974

Flow control valve

A flow control valve for high temperature fluids is disclosed. The valve is characterized by an all-metal flow control unit including a tubular conduit, terminating in a valve seat, a throttling cone having an internal, truncated conical surface coaxially related to the valve seat and supported for axial motion relative to the seat, and an axially reciprocable, flow-control plug supported in coaxial relation with the cone. The plug is provided with a truncated conical surface configured to be mated with the surface of the throttling cone for regulating a flow of fluid established through the unit and a curved shut-off surface.

Hays, L. G.↗
NASA NTRS1981

Flight performance of SEASAT-1 attitude control system

The paper describes the attitude control flight performance of SEASAT-A, (launched in June 1978), until failure of the power subsystem terminated the mission in Oct. 1978. Information provided by the satellite pertained to surface winds and coastal storm activity, currents and wave heights, ocean topography and temperature. The ACS used three-axis momentum exchange and magnetic momentum containment and was set in a nose-down configuration. Attitude control sensing was via horizon sensors and attitude anomalies, resulting from solar interference with the sensors, is covered in detail. Remedial action was taken by reconfiguring the IR scanners, but failure resulted nevertheless. Recommendations for similar future missions include consideration of the effect of light sources and circuit time constants and scan rates. A block diagram of the ACS is included.

Beach, S. W.↗
NASA NTRS1997

Recognition of > or = 3850 Ma water-lain sediments in West Greenland and their significance for the early Archaean Earth

A layered body of amphibolite, banded iron formation (BIF), and ultramafic rocks from the island of Akilia, southern West Greenland, is cut by a quartz-dioritic sheet from which SHRIMP zircon 206Pb/207Pb weighted mean ages of 3865 +/- 11 Ma and 3840 +/- 8 Ma (2 sigma) can be calculated by different approaches. Three other methods of assessing the zircon data yield ages of >3830 Ma. The BIFs are interpreted as water-lain sediments, which with a minimum age of approximately 3850 Ma, are the oldest sediments yet documented. These rocks provide proof that by approximately 3850 Ma (1) there was a hydrosphere, supporting the chemical sedimentation of BIF, and that not all water was stored in hydrous minerals, and (2) that conditions satisfying the stability of liquid water imply surface temperatures were similar to present. Carbon isotope data of graphitic microdomains in apatite from the Akilia island BIF are consistent with a bio-organic origin (Mojzsis et al. 1996), extending the record of life on Earth to >3850 Ma. Life and surface water by approximately 3850 Ma provide constraints on either the energetics or termination of the late meteoritic bombardment event (suggested from the lunar cratering record) on Earth.

NASA Discipline Exobiology↗