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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Supported Organochromium Ethylene Oligomerization Enabled by Surface Lithiation

Here, in this work, supported organochromium ethylene polymerization catalysts have been tuned to mediate ethylene oligomerization via surface lithiation, which provides a generalizable protocol to control stereoelectronics and redox states of surface organometallic active sites. The homoleptic chromium(IV) alkyl complex Cr(CH 2 SiMe 3 ) 4 was grafted on high-surface-area anatase titania (TiO 2 ) nanoparticles as well as on silica to produce Cr/TiO 2 and Cr/SiO 2 , respectively. Treatment of these materials with excess n-butyllithium led to the reduced chromium complexes Cr/Li x TiO 2 and Cr/Li/SiO 2 , each of which still retains one hydrocarbyl ligand on chromium. A set of heterogeneous complexes were studied by electron paramagnetic resonance and X-ray absorption spectroscopy, which indicate a reduction in the oxidation state of the major chromium species to Cr II upon lithiation. Cr/Li x TiO 2 converts ethylene to hexenes with a high selectivity (>80%), which was persistent over 10 days at 80 °C, achieving >950 turnovers. The exclusive formation of C 4 and C 6 olefins, preferring the trimerization product, without a statistical (Flory–Schulz) distribution is characteristic of the oxidative cyclization oligomerization mechanism rather than the traditional Cossee–Arlman mechanism, whereas Cr/Li/SiO 2 produced a mixture of trimerization and polymerization products, suggesting site heterogeneity in the silica-based material. On the other hand, the unreduced chromium(IV) materials as well as low lithium-containing Cr/Li x TiO 2 (x < 0.16) exclusively produced ultrahigh molecular weight polyethylene, determined by differential scanning calorimetry and gel permeation chromatography analysis, likely formed via a linear-insertion mechanism, with a crossover from the polymerization to oligomerization regime observed at ~16% Li intercalation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Structural and biochemical basis for regiospecificity of the flavonoid glycosyltransferase UGT95A1

Glycosylation is a predominant strategy plants use to fine-tune the properties of small molecule metabolites to affect their bioactivity, transport, and storage. It is also important in biotechnology and medicine as many glycosides are utilized in human health. Small molecule glycosylation is largely carried out by family 1 glycosyltransferases. Here, we report a structural and biochemical investigation of UGT95A1, a family 1 GT enzyme from Pilosella officinarum that exhibits a strong, unusual regiospecificity for the 3'-O position of flavonoid acceptor substrate luteolin. We obtained an apo crystal structure to help drive the analyses of a series of binding site mutants, revealing that while most residues are tolerant to mutations, key residues M145 and D464 are important for overall glycosylation activity. Interestingly, E347 is crucial for maintaining the strong preference for 3'-O glycosylation, while R462 can be mutated to increase regioselectivity. The structural determinants of regioselectivity were further confirmed in homologous enzymes. Our study also suggests that the enzyme contains large, highly dynamic, disordered regions. We showed that while most disordered regions of the protein have little to no implication in catalysis, the disordered regions conserved among investigated homologs are important to both the overall efficiency and regiospecificity of the enzyme. This report represents a comprehensive in-depth analysis of a family 1 GT enzyme with a unique substrate regiospecificity and may provide a basis for enzyme functional prediction and engineering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Magnetic structure and magnetoelectric coupling in the antiferromagnet Co 5⁢ (Te⁢O 3 ) 4 ⁢Cl 2

The van der Waals (vdW) layered multiferroics, which host simultaneous ferroelectric and magnetic orders, have attracted attention not only for their potentials to be utilized in nanoelectric devices and spintronics, but also offer alternative opportunities for emergent physical phenomena. To date, the vdW layered multiferroic materials are still very rare. In this work, we have investigated the magnetic structure and magnetoelectric (ME) effects in Co 5 ⁢(Te⁢O 3 ) 4 ⁢Cl 2 , a promising multiferroic compound with antiferromagnetic (AFM) Néel point T N ~18 K. The neutron-powder diffraction reveals the noncoplanar AFM state with preferred Néel vector along the c axis, while a spin reorientation occurring between 8 and 15 K is identified, which results from the distinct temperature dependence of the nonequivalent Co site's moment in Co 5 ⁢(Te⁢O 3 ) 4 ⁢Cl 2 . Moreover, it is found that Co 5 ⁢(Te⁢O 3 ) 4 ⁢Cl 2 is one of the best vdW multiferroics studied so far in terms of the multiferroic performance. The measured linear ME coefficient exhibits the emergent oscillation dependence of the angle between magnetic field and electric field, and the maximal value is as big as 45 ps/m. Finally, it is suggested that Co 5 ⁢(Te⁢O 3 ) 4 ⁢Cl 2 is an appreciated platform for exploring the emergent multiferroicity in vdW layered compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1996

A Cost Comparison of Alternative Approaches to Distance Education in Developing Countries

This paper presents a cost comparison of three approaches to two-way interactive distance learning systems for developing countries. Included are costs for distance learning hardware, terrestrial and satellite communication links, and designing instruction for two-way interactive courses. As part of this project, FSEC is developing a 30-hour course in photovoltaic system design that will be used in a variety of experiments using the Advanced Communications Technology Satellite (ACTS). A primary goal of the project is to develop an instructional design and delivery model that can be used for other education and training programs. Over two-thirds of the world photovoltaics market is in developing countries. One of the objectives of this NASA-sponsored project was to develop new and better energy education programs that take advantage of advances in telecommunications and computer technology. The combination of desktop video systems and the sharing of computer applications software is of special interest. Research is being performed to evaluate the effectiveness of some of these technologies as part of this project. The design of the distance learning origination and receive sites discussed in this paper were influenced by the educational community's growing interest in distance education. The following approach was used to develop comparative costs for delivering interactive distance education to developing countries: (1) Representative target locations for receive sites were chosen. The originating site was assumed to be Cocoa, Florida, where FSEC is located; (2) A range of course development costs were determined; (3) The cost of equipment for three alternative two-way interactive distance learning system configurations was determined or estimated. The types of system configurations ranged from a PC-based system that allows instructors to originate instruction from their office using desktop video and shared application software, to a high cost system that uses a electronic classroom; (4) A range of costs for both satellite and terrestrial communications was investigated; (5) The costs of equipment and operation of the alternative configurations for the origination and receive sites were determined; (6) A range of costs for several alternative delivery scenarios (i.e., a mix of live-interactive; asynchronous interactive;use of videotapes) was determined; and (7) A preferred delivery scenario, including cost estimate, was developed.

Ventre, Gerard G.↗
NASA NTRS1998

Modeling learning in brain stem and cerebellar sites responsible for VOR plasticity

A simple model of vestibuloocular reflex (VOR) function was used to analyze several hypotheses currently held concerning the characteristics of VOR plasticity. The network included a direct vestibular pathway and an indirect path via the cerebellum. An optimization analysis of this model suggests that regulation of brain stem sites is critical for the proper modification of VOR gain. A more physiologically plausible learning rule was also applied to this network. Analysis of these simulation results suggests that the preferred error correction signal controlling gain modification of the VOR is the direct output of the accessory optic system (AOS) to the vestibular nuclei vs. a signal relayed through the cerebellum via floccular Purkinje cells. The potential anatomical and physiological basis for this conclusion is discussed, in relation to our current understanding of the latency of the adapted VOR response.

NASA Discipline Neuroscience↗
NASA NTRS1980

Solar power satellite offshore rectenna study

It was found that an offshore rectenna is feasible and cost competitive with land rectennas but that the type of rectenna which is suitable for offshore use is quite different from that specified in the present reference system. The result is a nonground plane design which minimizes the weight and greatly reduces the number of costly support towers. This preferred design is an antenna array consisting of individually encapsulated dipoles with reflectors supported on feed wires. Such a 5 GW rectenna could be built at a 50 m water depth site to withstand hurricane and icing conditions for a one time cost of 5.7 billion dollars. Subsequent units would be about 1/3 less expensive. The east coast site chosen for this study represents an extreme case of severe environmental conditions. More benign and more shallow water sites would result in lower costs. Secondary uses such as mariculture appear practical with only minor impact on the rectenna design. The potential advantages of an offshore rectenna, such as no land requirements, removal of microwave radiation from populated areas and minimal impact on the local geopolitics argue strongly that further investigation of the offshore rectenna should be vigorously pursued.

Source record↗
NASA NTRS2002

Ionospheric Electron/Ion Densities Temperatures on CD-ROM and WWW

As part of this project a large volume of ionospheric satellite insitu data from the sixties, seventies and early eighties were made accessible online in ASCII format for public use. This includes 14 data sets from the BE-B, Alouette 2, DME-A, AE-B, ISIS-1, ISIS-2, OGO-6, DE-2, AEROS-A, AE-C, AE-D, AE-E, and Hinotori satellites. The original data existed in various machine-specific, highly compressed, binary encoding on 7-, or 9-track magnetic tapes. The data were decoded and converted to a common ASCII data format, solar and magnetic indices were added, and some quality control measures were taken. The original intent of producing CD-ROMs with these data was overtaken by the rapid development of the Internet. Most users now prefer to obtain the data directly online and greatly value WWW-interfaces to browse, plot and subset the data. Accordingly the data were made available online on the anonymous ftp site of NASA's National Space Science Data Center (NSSDC) at ftp://nssdcftp.gsfc.nasa.gov/spacecraft data/ and on NSSDC's ATMOWeb (http://nssdc.gsfc.nasa.gov/atmoweb/), a WWW-interface for plotting, subsetting, and downloading the data. Several new features were implemented into ATMOWeb as part of this project including a filtering and scatter plot capability. The availability of this new database and WWW system was announced through several electronic mailer (AGU, CEDAR, IRI, etc) and through talks and posters during scientific meetings.

Bilitza, Dieter↗
NASA NTRS2005

Radar Evaluation of Optical Cloud Constraints to Space Launch Operations

Weather constraints to launching space vehicles are designed to prevent loss of the vehicle or mission due to weather hazards (See, e.g., Ref 1). Constraints include Lightning Launch Commit Criteria (LLCC) designed to avoid natural and triggered lightning. The LLCC currently in use at most American launch sites including the Eastern Range and Kennedy Space Center require the Launch Weather Officer to determine the height of cloud bases and tops, the location of cloud edges, and cloud transparency. The preferred method of making these determinations is visual observation, but when that isn't possible due to darkness or obscured vision, it is permissible to use radar. This note examines the relationship between visual and radar observations in three ways: A theoretical consideration of the relationship between radar reflectivity and optical transparency. An observational study relating radar reflectivity to cloud edge determined from in-situ measurements of cloud particle concentrations that determine the visible cloud edge. An observational study relating standard radar products to anvil cloud transparency. It is shown that these three approaches yield results consistent with each other and with the radar threshold specified in Reference 2 for LLCC evaluation.

Merceret, Francis J.↗
DOE OSTI2024

Ion pair extractant selective for LiCl and LiBr

Improved methods for achieving the selective extraction of lithium salts from lithium sources, including rocky ores, salt-lake brines, and end-of-life lithium-ion batteries, could help address projected increases in the demand for lithium. Here, we report an ion pair receptor (2) capable of extracting LiCl and LiBr into an organic receiving phase both from the solid state and from aqueous solutions. Ion pair receptor 2 consists of a calix[4]pyrrole framework, which acts as an anion binding site, linked to a phenanthroline cation binding motif via ether linkages. Receptor 2 binds MgBr 2 and CaCl 2 with high selectivity over the corresponding lithium salts in a nonpolar aprotic solvent. The preference for Mg 2+ and Ca 2+ salts is reversed in polar protic media, allowing receptor 2 to complex LiCl and LiBr with high selectivity and affinity in organic media containing methanol or water. The effectiveness of receptor 2 as an extractant for LiCl and LiBr under liquid–liquid extraction (LLE) conditions was found to be enhanced by the presence of other potentially competitive salts in the aqueous source phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Initiating Growth Of Crystals Away From Container Walls

Nucleation controlled to obtain better crystals. In technique proposed specifically for growing large protein crystals in microgravity (where no thermal convection), small region of high supersaturation created by injection of hot concentrated solution or by use of cold probe. Crystals nucleate preferably in this small region. Also conceivable technique applied on Earth to crystallizations in melts and solutions sufficiently viscous to suppress convection to extent necessary to prevent cooling-induced nucleation in undesired sites.

Kroes, Roger L.↗
NASA NTRS2016

Reducing Multisensor Satellite Monthly Mean Aerosol Optical Depth Uncertainty: 1. Objective Assessment of Current AERONET Locations

Various space-based sensors have been designed and corresponding algorithms developed to retrieve aerosol optical depth (AOD), the very basic aerosol optical property, yet considerable disagreement still exists across these different satellite data sets. Surface-based observations aim to provide ground truth for validating satellite data; hence, their deployment locations should preferably contain as much spatial information as possible, i.e., high spatial representativeness. Using a novel Ensemble Kalman Filter (EnKF)- based approach, we objectively evaluate the spatial representativeness of current Aerosol Robotic Network (AERONET) sites. Multisensor monthly mean AOD data sets from Moderate Resolution Imaging Spectroradiometer, Multiangle Imaging Spectroradiometer, Sea-viewing Wide Field-of-view Sensor, Ozone Monitoring Instrument, and Polarization and Anisotropy of Reflectances for Atmospheric Sciences coupled with Observations from a Lidar are combined into a 605-member ensemble, and AERONET data are considered as the observations to be assimilated into this ensemble using the EnKF. The assessment is made by comparing the analysis error variance (that has been constrained by ground-based measurements), with the background error variance (based on satellite data alone). Results show that the total uncertainty is reduced by approximately 27% on average and could reach above 50% over certain places. The uncertainty reduction pattern also has distinct seasonal patterns, corresponding to the spatial distribution of seasonally varying aerosol types, such as dust in the spring for Northern Hemisphere and biomass burning in the fall for Southern Hemisphere. Dust and biomass burning sites have the highest spatial representativeness, rural and oceanic sites can also represent moderate spatial information, whereas the representativeness of urban sites is relatively localized. A spatial score ranging from 1 to 3 is assigned to each AERONET site based on the uncertainty reduction, indicating its representativeness level.

aerosol optical depth↗
DOE OSTI2025

Understanding the selectivity of nonsteroidal anti-inflammatory drugs for cyclooxygenases using quantum crystallography and electrostatic interaction energy

Quantum crystallography methods have been employed to investigate complex formation between nonsteroidal anti-inflammatory drugs (NSAIDs) and cyclooxygenase (COX) enzymes, with particular focus on the COX-1 and COX-2 isoforms. This study analyzed the electrostatic interaction energies of selected NSAIDs (flurbiprofen, ibuprofen, meloxicam and celecoxib) with the active sites of COX-1 and COX-2, revealing significant differences in binding profiles. Flurbiprofen exhibited the strongest interactions with both COX-1 and COX-2, indicating its potent binding affinity. Celecoxib and meloxicam showed a preference for COX-2, consistent with their known selectivity for this isoform, while ibuprofen showed comparable interaction energies with both isoforms, reflecting its nonselective inhibition pattern. Key amino-acid residues, including Arg120, Arg/His513 and Tyr355, were identified as critical determinants of NSAID selectivity and binding affinity. The findings highlight the complex interplay between interaction energy and selectivity, suggesting that while electrostatic interactions play a fundamental role, additional factors such as enzyme dynamics and the hydrophobic effect also contribute to the therapeutic efficacy and safety profiles of NSAIDs. These insights provide valuable guidance for the rational design of NSAIDs with enhanced therapeutic benefits and minimized adverse effects.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2009

A Comparison of the Unpressurized Rover and Small Pressurized Rover During a Desert Field Evaluation

To effectively explore the lunar surface, astronauts will need a transportation vehicle which can traverse all types of terrain. Currently, the National Aeronautics and Space Administration s (NASA) is investigating two lunar rover configurations to meet such a requirement. Under the Lunar Electric Rover (LER) project, a comparison study between the unpressurized rover (UPR) and the small pressurized rover (SPR) was conducted at the Black Point Lava Flow in Arizona. The objective of the study was to obtain human-in-the-loop performance data on the vehicles with respect to human-machine interfaces, vehicle impacts on crew productivity, and scientific observations. Four male participants took part in four, one-day field tests using the exact same terrain and scientific sites for an accurate comparison between vehicle configurations. Subjective data was collected using several human factors performance measures. Results indicate either vehicle configuration was generally acceptable for a lunar mission; however, the SPR configuration was preferred over the UPR configuration primarily for the SPR s ability to cause less fatigue and enabling greater crew productivity.

Litaker, Harry↗
DOE OSTI2024

Quantitative Identification of Dopant Occupation in Li‐Rich Cathodes

Elemental doping is widely used to improve the performance of cathode materials in lithium‐ion batteries. However, macroscopic/statistical investigation on how doping sites are distributed in the material lattice, despite being a key prerequisite for understanding and manipulating the doping effect, has not been effectively established. Herein, to solve this predicament, a universal strategy is proposed to quantitatively identify the locations of Al and Mg dopants in lithium‐rich layered oxides (LLOs). Solid evidence confirms that Al prefers to occupy the transition metal (TM) layer, while Mg evenly occupies both TM and Li layers. As a result, Mg significantly reduces the thickness of LiO 2 slabs at room temperature, which will increase the energy barrier of oxygen activation and enhance the structure stability of LLOs. The suppressed oxygen activity in Mg‐doped LLO can be kinetically unlocked at 55 °C. The different characteristics of Al and Mg enlighten an Al/Mg co‐doping strategy to optimize LLOs, which significantly improves the cycle performance while lifting the capacity. In conclusion, these insights from the quantitative identification of doping sites shed light on the manipulation of doping effects toward better cathodes.

25 ENERGY STORAGE↗
NASA NTRS1984

Microstructural development of protective Al2O3 scales

Microstructural characteristics of Al2O3 scales grown as protective coatings on NiCrAl alloys used in jet engines are described. The alloys were pure or doped with 0.3 percent Zr or Y and oxidized in 1 atm air at 1100 C for 0.1, 1 or 20.0 hr. The scales were then examined under a microscope. Transient epitaxial scales, formed during the 0.1 hr treatment and containing Ni, Cr and Al, consisted of a mosaic of subgrains and precipitates of different phases. The Y and Zr dopants had no effect on the nucleation site locations. The appearance of intergranular porosity at 0.1 hr was exacerbated after the 1 hr treatment. A bimodal void distribution appeared after 20 hr, when no porosity was evident. The detection of local areas of preferred orientation is taken as a spur to further studies of scale growth to gain control of the grain size or even to produce single crystal scales.

Smialek, J. L.↗
NASA NTRS1993

TAB interconnects for space concentrator solar cell arrays

The Boeing Company has evaluated the use of Tape Automated Bonding (TAB) and Surface Mount Technology (SMT) for a highly reliable, low cost interconnect for concentrator solar cell arrays. TAB and SMT are currently used in the electronics industry for chip interconnects and printed circuit board assembly. TAB tape consists of sixty-four 3-mil/1-oz tin-plated copper leads on 8-mil centers. The leads are thermocompression gang bonded to GaAs concentrator solar cell with silver contacts. This bond, known as an Inner Lead Bond (ILB), allows for pretesting and sorting capability via nondestruct wire bond pull and flash testing. Destructive wire pull tests resulted in preferred mid-span failures. Improvements in fill factor were attributed to decreased contact resistance on TAB bonded cells. Preliminary thermal cycling and aging tests were shown excellent bond strength and metallurgical results. Auger scans of bond sites reveals an Ag-Cu-Tin composition. Improper bonds are identified through flash testing as a performance degradation. On going testing of cells are underway at Lewis Research Center. SMT techniques are utilized to excise and form TAB leads post ILB. The formed leads' shape isolates thermal mismatches between the cells and the flex circuit they are mounted on. TABed cells are picked and placed with a gantry x-y-z positioning system with pattern recognition. Adhesives are selected to avoid thermal expansion mismatch and promote thermal transfer to the flex circuit. TAB outer lead bonds are parallel gap welded (PGW) to the flex circuit to finish the concentrator solar cell subassembly.

Avery, J.↗
DOE OSTI2025

Effect of Ambient Organic Acids on the Water Structure at ${\rm TiO}_{2}$ Interfaces

A molecular-level understanding of the effects of ambient organic compounds on the wettability of titanium dioxide ( ${\rm TiO}_{2}$ ) surfaces is relevant to many of its energy-related and environmental applications. Herein, we focus on two common atmospheric carboxylic acids, formic and acetic acid, and characterize their adsorption/ desorption at the aqueous interfaces of anatase and rutile ${\rm TiO}_{2}$ using molecular dynamics with an ab initio deep neural network potential. Our simulations show that these acids prefer to be localized in the interfacial water layers close to the ${\rm TiO}_{2}$ surface where they are stabilized by the interaction/exchange of their acid proton with a surface oxygen, rather than chemisorb at the surface Ti sites by displacing the adsorbed water. Notably, these acids make the surface of anatase hydrophobic, whereas the larger fraction of adsorbed water dissociation can offset their effect on rutile. Furthermore, these results provide a picture where carboxylic acids control the wettability of ${\rm TiO}_{2}$ largely through acid-base chemistry at the interface rather than chemisorption on the oxide surface, a finding that can help improve the design of self-cleaning surfaces and photocatalytic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

First-principles DFT modeling of nitrobenzene adsorption on the Ag(111) surface at varying monolayer coverages

Here, the adsorption behavior of nitrobenzene on the Ag(111) surface as a function of coverage is investigated using density functional theory. Adsorption energies and optimized geometries are analyzed together with isolated intermolecular interaction calculations and electronic structure analysis, including Bader charge partitioning and projected density of states, to disentangle the roles of adsorbate–surface bonding and through-space adsorbate–adsorbate interactions. At low and intermediate coverages (θ = 1/9 and θ = 2/9), bidentate adsorption at top sites is favored due to strong adsorbate–surface interactions, with additional stabilization at θ = 2/9 arising from favorable intermolecular separations. At higher coverage (θ = 1/3), bidentate adsorption is destabilized by strong intermolecular repulsion, and monodentate adsorption becomes energetically preferred as rotational freedom allows more favorable intermolecular spacing. Charge density differences, Bader charge, and density of states analyses show that charge transfer from the Ag surface is localized primarily on the nitro group and increases with coverage and adsorption denticity, although this increase does not directly correlate with adsorption strength at high coverage due to competing intermolecular interactions. These results demonstrate that surface coverage can induce a transition in preferred adsorption denticity driven by intermolecular interactions, highlighting the importance of adsorbate packing in organic molecule adsorption at metal interfaces.

36 MATERIALS SCIENCE↗