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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

PNNL-Predictive-Phenomics/ProCaliper

ProCaliper is a Python library that curates, organizes, and computes protein structure features in a way that easily interfaces with user-provided experimental data. It extracts or computes protein binding site, active site, charge, pLDDT (order/disorder), acid dissociation, protonation, solvent accessible surface area, disulfide bond distance, and protein secondary structure data using precomputed protein structures and publicly available databases. It provides a unified API for integrating additional residue-level data and for visualizing residue features in 3D.

Rozum, Jordan [Pacific Northwest National Lab]↗
DOE OSTI2023

Representation of the Convectively Coupled Kelvin Waves in Modern Reanalysis Products

Abstract This study aims to deepen our understanding of the destabilization mechanisms and the mean-state modulation of the convectively coupled Kelvin waves (CCKWs) while testing simple models for CCKWs. We examine CCKW precipitation, vertical structure, and energetics in four modern reanalyses: the fifth version of ECMWF Reanalysis (ERA5), NASA Modern-Era Retrospective Analysis for Research and Applications, version 2 (MERRA-2), the second version of the NCEP Climate Forecast System Reanalysis (CFSR), and the Japanese 55-year Reanalysis (JRA-55). The CCKW precipitation signal strength in the wavenumber–frequency domain and the geographical distribution of CCKW precipitation variability are reasonably represented in all reanalyses, although they commonly underestimate the amplitude of CCKW precipitation. Despite considerable interreanalysis differences in the vertical structure of temperature and diabatic heating anomalies, the eddy available potential energy (EAPE) generation within the CCKWs is found to be associated with the second baroclinic mode whereas the first baroclinic mode damps CCKW EAPE in three out of four reanalyses. Geographically, strong CCKW activity occurs in the areas of high mean-state sea surface temperature (SST), where the second mode EAPE generation is higher, mainly due to a stronger stratiform heating and a tighter wave–convection coupling. Our results are supportive of the simple models for CCKWs in which CCKWs are destabilized within the second baroclinic mode component.

Meteorology & Atmospheric Sciences↗
DOE OSTI2016

Highly Efficient Non-Oxidative Methane Conversion with Continuous Hydrogen Removal

A non-oxidative methane conversion catalytic system has been successfully developed. Ball-milling and annealing above 1973 K are necessary in order to synthesize the unique methane activation catalyst. Characterization and evaluation of catalysts shows that the surface area should be carefully controlled to minimize coke deposition. The influence of temperature, pressure, space velocity and hydrogen concentration on catalytic process was systematically studied. The reaction conditions were optimized to a combination of 1323 K, ambient pressure and a space velocity of 4900 ml/g·h. A process, using 0.5% Fe/SiO 2 catalyst under these conditions, yield a methane conversion of 15.62%, with product distribution of 40.05% C 2 , 26.48% BTX and 10.7% naphthalene and demonstrated stable operation of at least 50 hours. This result meets the milestone in the phase I proposal. A non-oxidative methane catalyst-integrated SOFC reactor was accomplished, using nickel-free cells of both ScSZ oxygen-ion conductor and BZY proton conductor. With in-situ hydrogen removal enabled by SOFC, hydrogen concentration in the reactor was effectively reduced, shifting reaction equilibrium and boosting methane conversion. However, due to the high temperature requirement of this reaction, most available proton-conducting SOFCs become oxygen-ion conducting, leading to side reactions and counteracting the benefits from hydrogen removal. To take advantage of the enhanced oxygen-ion conductance of SOFC at high temperatures, we have also paired the nickel-free SOFCs with high-performance oxidative coupling of methane (OCM) catalysts. The SOFC-OCM tubular membrane reactor, employing a Mn-Ce-Na 2 WO 4 /SiO 2 -based catalyst, demonstrates a remarkable performance of 60.7% methane conversion with 41.6% C 2 + selectivity, 5.8 ethylene-to-ethane ratio and 19.4% ethylene yield. The use of integrated SOFC-OCM reactor enables better hydrocarbon selectivity and higher ethylene-to-ethane ratio, eliminating the need of an expensive air separation unit and preventing the direct co-feed of explosive methane-oxygen mixture. We believe this presents a great promise towards commercialization as an advanced methane conversion technology.

02 PETROLEUM↗
DOE OSTI2021

Measurement report: Comparison of wintertime individual particles at ground level and above the mixed layer in urban Beijing

Beijing has been suffering from frequent severe air pollution events, with concentrations affected significantly by the mixed-layer height. Major efforts have been made to study the physico-chemical properties, compositions, and sources of aerosol particles at ground level. However, little is known about the morphology, elemental composition, and mixing state of aerosol particles above the mixed layer. In this work, we collected individual aerosol particles simultaneously at ground level (2 m above ground) and above the mixed layer in urban Beijing (within the Atmospheric Pollution and Human Health in a Chinese Megacity, APHH-Beijing, 2016 winter campaign). The particles were analyzed offline by transmission electron microscopy coupled with energy dispersive X-ray spectroscopy. Our results showed that the relative number contribution of mineral particles to all measured particles was much higher during non-haze periods (42.5 %) than haze periods (18.1 %); in contrast, internally mixed particles contributed more during haze periods (21.9 %) than non-haze periods (7.2 %) at ground level. In addition, more mineral particles were found at ground level than above the mixed-layer height. Around 20 % of individual particles showed core–shell structures during haze periods, whereas only a few core–shell particles were observed during non-haze periods (2 %). The results showed that the particles above the mixed layer were more aged, with a larger proportion of organic particles originating from coal combustion. Our results indicate that a large fraction of the airborne particles above the mixed layer come from surrounding areas influenced by coal combustion activities. This source contributes to the surface particle concentrations in Beijing when polluted air is mixed down to the ground level.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1982

Voyager spacecraft images of Jupiter and Saturn

The Voyager imaging system is described, noting that it is made up of a narrow-angle and a wide-angle TV camera, each in turn consisting of optics, a filter wheel and shutter assembly, a vidicon tube, and an electronics subsystem. The narrow-angle camera has a focal length of 1500 mm; its field of view is 0.42 deg and its focal ratio is f/8.5. For the wide-angle camera, the focal length is 200 mm, the field of view 3.2 deg, and the focal ratio of f/3.5. Images are exposed by each camera through one of eight filters in the filter wheel on the photoconductive surface of a magnetically focused and deflected vidicon having a diameter of 25 mm. The vidicon storage surface (target) is a selenium-sulfur film having an active area of 11.14 x 11.14 mm; it holds a frame consisting of 800 lines with 800 picture elements per line. Pictures of Jupiter, Saturn, and their moons are presented, with short descriptions given of the area being viewed.

Birnbaum, M. M.↗
NASA NTRS1986

Structure of the southern Rio Grande rift from gravity interpretation

Regional Bouguer gravity anomalies in southern New Mexico have been analyzed by two-dimensional wave number filtering and poly-nomial trend surface analysis of the observed gravity field. A prominent, regional oval-shaped positive gravity anomaly was found to be associated with the southern Rio Grande rift. Computer modeling of three regional gravity profiles suggests that this anomaly is due to crustal thinning beneath the southern Rio Grande rift. These models indicate a 25 to 26-km minimum crustal thickness within the rift and suggest that the rift is underlain by a broad zone of anomalously low-density upper mantle. The southern terminus of the anomalous zone is approximately 50 km southwest of El Paso, Texas. A thinning of the rifted crust of 2-3 km relative to the adjacent Basin and Range province indicates an extension of about 9 percent during the formation of the modern southern Rio Grande rift. This extension estimate is consistent with estimates from other data sources. The crustal thinning and anomalous mantle is thought to result from magmatic activity related to surface volcanism and high heat flow in this area.

Daggett, P. H.↗
DOE OSTI2017

Single-unit-cell layer established Bi 2 WO 6 3D hierarchical architectures: Efficient adsorption, photocatalysis and dye-sensitized photoelectrochemical performance

Single-layer catalysis sparks huge interests and gains widespread attention owing to its high activity. Simultaneously, three-dimensional (3D) hierarchical structure can afford large surface area and abundant reactive sites, contributing to high efficiency. Herein, we report an absorbing single-unit-cell layer established Bi2WO6 3D hierarchical architecture fabricated by a sodium dodecyl benzene sulfonate (SDBS)-assisted assembled strategy. The DBS- long chains can adsorb on the (Bi2O2)2+ layers and hence impede stacking of the layers, resulting in the single-unit-cell layer. We also uncovered that SDS with a shorter chain is less effective than SDBS. Due to the sufficient exposure of surface O atoms, single-unit-cell layer 3D Bi2WO6 shows strong selectivity for adsorption on multiform organic dyes with different charges. Remarkably, the single-unit-cell layer 3D Bi2WO6 casts profoundly enhanced photodegradation activity and especially a superior photocatalytic H2 evolution rate, which is 14-fold increase in contrast to the bulk Bi2WO6. Systematic photoelectrochemical characterizations disclose that the substantially elevated carrier density and charge separation efficiency take responsibility for the strengthened photocatalytic performance. Additionally, the possibility of single-unit-cell layer 3D Bi2WO6 as dye-sensitized solar cells (DSSC) has also been attempted and it was manifested to be a promising dye-sensitized photoanode for oxygen evolution reaction (ORR). Our work not only furnish an insight into designing single-layer assembled 3D hierarchical architecture, but also offer a multi-functional material for environmental and energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

Microwave approaches in hydrology

The microwave approaches for remote sensing of soil moisture centent, snowpack properties, surface water area, and the detection of precipitation over land are discussed. Both active (radar) and passive (radiometry) approaches are considered, and the advantages of microwave sensing are pointed out, including all-weather capability, especially at the longer wavelengths, and greater penetration depth with optical or infrared sensors. Results obtained from ground-based, aircraft, and spacecraft platforms show that microwave systems can monitor the moisture content in the surface soil layer (5 cm thick), and that passive microwave systems can discriminate between light and heavy snowcover, detect the presence of liquid water in the snow, and qualitatively estimate snow water equivalent.

Schmugge, T. J.↗
DOE OSTI2018

Vertical Stratification of Peat Pore Water Dissolved Organic Matter Composition in a Peat Bog in Northern Minnesota: Pore Water DOM composition in a peat bog

We characterized dissolved organic matter (DOM) composition throughout the peat column at the Marcell S1 forested bog in northern Minnesota and tested the hypothesis that redox oscillations associated with cycles of wetting and drying at the surface of the fluctuating water table correlate with increased carbon, sulfur and nitrogen turn over. We found significant vertical stratification of DOM molecular composition and EEM-PARAFAC components within the peat column. In particular the intermediate depth zone (~ 50 cm) was identified as a zone where maximum decomposition and turnover is taking place. Surface DOM was dominated by inputs from surface vegetation. The intermediate-depth zone was an area of high organic matter reactivity and increased microbial activity with diagenetic formation of many unique compounds, among them polycyclic aromatic compounds (PAC) that contain both nitrogen and sulfur heteroatoms. These compounds have been previously observed in coal-derived compounds and were assumed to be responsible for coal's biological activity. Biological processes triggered by redox oscillations taking place at the intermediate depth zone of the peat profile at the S1 bog are assumed to be responsible for the formation of these heteroatomic PACs in this system. Alternatively these compounds could stem from black carbon and nitrogen derived from fires that have occurred at the site in the past. Surface and deep DOM exhibited more similar characteristics, compared to the intermediate-depth zone, with the deep layer exhibiting greater input of microbially degraded organic matter than the surface suggesting that the entire peat profile consists of similar parent material at different degrees of decomposition and that lateral and vertical advection of pore water from the surface to the deeper horizons is responsible for such similarities. Our findings suggest that molecular composition of DOM in peatland pore water is dynamic and is a function of ecosystem activity, water table and redox oscillation and porewater advection.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2023

Effect of Surface Temperature on the Distribution and Reactivity of Rh Active Sites for CO Oxidation

Single–atom catalysts are a fast–emerging area in which late–transition metal atoms are supported on oxides, metals, and carbonaceous supports. They show great promise for selective chemical reactions due to their well–defined active sites, and significantly reduce precious metal loading. However, oxide–supported single–atom catalysts have drawbacks such as deactivation due to sintering, and there are on–going debates about the exact nature of the active sites. Herein we report a model system where the surface temperature during Rh deposition on a copper oxide support dictates the Rh size distribution. Here our temperature–programmed desorption experiments reveal that Rh clusters perform CO oxidation at lower temperature than single atoms, and isotopic labelling demonstrates differences in the mechanism in that the C–O bond is broken and reformed on clusters, as opposed to a pure Mars van Krevelen mechanism for CO oxidation at the single–atom Rh sites. We further examine the cluster size distributions with scanning tunneling microscopy and X–ray photoelectron spectroscopy which confirm the presence of both clusters and single atoms for the lower temperature deposition and only single atoms for the higher temperature deposition. Together, these results provide a fundamental understanding of the differences in the CO oxidation mechanism on Rh atoms and clusters.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Integrated Airport Surface Operations

The current air traffic environment in airport terminal areas experiences substantial delays when weather conditions deteriorate to Instrument Meteorological Conditions (IMC). Research activity at NASA has culminated in the development, flight test and demonstration of a prototype Low Visibility Landing and Surface Operations (LVLASO) system. A NASA led industry team and the FAA developed the system which integrated airport surface surveillance systems, aeronautical data links, DGPS navigation, automation systems, and controller and flight deck displays. The LVLASO system was demonstrated at the Hartsfield-Atlanta International Airport using a Boeing 757-200 aircraft during August, 1997. This report documents the contractors role in this testing particularly in the area of data link and DGPS navigation.

Koczo, S.↗
DOE OSTI2017

Effect of Er{sup 3+} ions on the phase formation and properties of In{sub 2}O{sub 3}nanostructures crystallized upon microwave heating

Regular sized nanostructures of indium oxide (In{sub 2}O{sub 3}) were homogeneously grown using a facile route, i.e. a microwave-hydrothermal method combined with rapid thermal treatment in a microwave oven. The presence of Er{sup 3+} doping plays an important role in controlling the formation of cubic (bcc) and rhombohedral (rh) In{sub 2}O{sub 3} phases. The samples presented broad photoluminescent emission bands in the green-orange region, which were attributed to the recombination of electrons at oxygen vacancies. The photocatalytic activities of pure bcc-In{sub 2}O{sub 3} and a bcc-rh-In{sub 2}O{sub 3} mixture towards the UVA degradation of methylene blue (MB) were also evaluated. The results showed that Er{sup +3} doped In{sub 2}O{sub 3} exhibited the highest photocatalytic activity with a photonic efficiency three times higher than the pure oxide. The improved performance was attributed to the higher surface area, the greater concentration of electron traps due the presence of the dopant and the possible formation of heterojunctions between the cubic and rhombohedral phases. - Graphical abstract: Photodegradation curves as a function of irradiation time of the samples obtained upon rapid microwave heating. - Highlights: • Efficient and rapid microwave heating to obtain Er{sup 3+} doped In{sub 2}O{sub 3} nanostructures. • Er{sup 3+} ions doping is fundamental to stabilizing the crystalline rhombohedral phase. • Symmetry breaking induced by vacancies in the lattice leads to photoluminescence. • Surface area of doped sample was two times higher than the surface of pure oxide. • The presence of defects in the lattice structure favors photocatalytic activity.

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

Facile sol-gel foaming synthesized nano foam Bi2Mo3O12 as novel photocatalysts for Microcystis aeruginosa treatment

Highlights: • A novel nano foam Bi{sub 2}Mo{sub 3}O{sub 12} catalyst with high specific surface area was prepared through a facile sol-gel foaming technology. • Bi{sub 2}Mo{sub 3}O{sub 12} exhibited excellent photocatalytic activity for treating cyanobacteria.∙O{sub 2}{sup −} is the main active specie during the system. • The obtained Bi{sub 2}Mo{sub 3}O{sub 12} nanocrystals showed superior stability and reusability. - Abstract: Novel nano foam Bi{sub 2}Mo{sub 3}O{sub 12} with high specific surface area was prepared through a facile sol-gel foaming technology. It was found for the first time that the obtained nano foam Bi{sub 2}Mo{sub 3}O{sub 12} exhibited excellent photocatalytic activity for treating Microcystis aeruginosa under visible light irradiation. Microcystis aeruginosa damage process was monitored by measuring chlorophyll-a content, L-glutathione content, and malondialdehyd content of the treated Microcystis aeruginosa suspension. Trapping experiment revealed that ∙O{sub 2}{sup −} is the main active specie in the catalytic system. Also the catalyst had superior stability and reusability.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Surface plasmon resonance-induced photocatalysis by Au nanoparticles decorated mesoporous g-C{sub 3}N{sub 4} nanosheets under direct sunlight irradiation

Highlights: • The Au/mp-g-C{sub 3}N{sub 4} was synthesized via a template-free and green in situ strategy. • Au/mp-g-C{sub 3}N{sub 4} nanosheets possesses high surface area and porous structure. • Au/mp-g-C{sub 3}N{sub 4} showed dramatic photocurrent response and photocatalytic activity. • The high performance is due to SPR of Au and mesoporous structure. • Au/mp-g-C{sub 3}N{sub 4} nanosheets exhibited high photostability. - Abstract: In recent years, surface plasmon-induced photocatalytic materials with tunable mesoporous framework have attracted considerable attention in energy conversion and environmental remediation. Herein we report a novel Au nanoparticles decorated mesoporous graphitic carbon nitride (Au/mp-g-C{sub 3}N{sub 4}) nanosheets via a template-free and green in situ photo-reduction method. The synthesized Au/mp-g-C{sub 3}N{sub 4} nanosheets exhibit a strong absorption edge in visible and near-IR region owing to the surface plasmon resonance effect of Au nanoparticles. More attractively, Au/mp-g-C{sub 3}N{sub 4} exhibited much higher photocatalytic activity than that of pure mesoporous and bulk g-C{sub 3}N{sub 4} for the degradation of rhodamine B under sunlight irradiation. Furthermore, the photocurrent and photoluminescence studies demonstrated that the deposition of Au nanoparticles on the surface of mesoporous g-C{sub 3}N{sub 4} could effectively inhibit the recombination of photogenerated charge carriers leading to the enhanced photocatalytic activity. More importantly, the synthesized Au/mp-g-C{sub 3}N{sub 4} nanosheets possess high reusability. Hence, Au/mp-g-C{sub 3}N{sub 4} could be promising photoactive material for energy and environmental applications.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Coronal activity below 2 solar radii - 1980 February 15-17

Coronal observations concerning the area between the solar surface and 2.0 solar radii can now be conducted by making use of a new ground-based K-coronameter and a prominence monitor on Mauna Loa in Hawaii. Observations made by the K-coronameter on three consecutive days surrounding the eclipse of 1980 February 16 show that the solar corona was very active during this time. Definite changes occurred between each day's observations. During one period of K-coronameter observations (1980 February 15) a coronal transient was observed to move through the coronameter's field of view. A description is presented of the general changes which occurred in the corona during this period, taking into account the coronal transient observed by the prominence monitor and K-coronameter. The most important aspects of these new observations pertain to the relationship between the H alpha prominence and the surrounding coronal material.

Fisher, R. R.↗
DOE OSTI2018

Insights into the structure–property–activity relationship in molybdenum-doped octahedral molecular sieve manganese oxides for catalytic oxidation

Hexavalent molybdenum ions substituted into the mixed-valent framework of octahedral molecular sieve manganese oxides (1–10 mol% Mo–K-OMS-2) were systematically prepared via a single-step refluxing method. Here, the structure, composition, morphology, thermal stability, and textural and redox properties of the Mo–K-OMS-2 materials were characterized by various experimental techniques. Density functional theory (DFT) calculations were performed to study the electronic properties of K-OMS-2 materials, including the influence of molybdenum on such properties. The catalytic activity of K-OMS-2 towards CO oxidation dramatically increased with Mo dopant concentration, until an optimum incorporation of 5 mol% was reached, giving full CO conversion at 120 °C (1 vol% CO, 1 vol% O2). More importantly, the activity of the 5% Mo–K-OMS-2 catalyst was (reversibly) inhibited by water vapour (3%) in the feed only at low temperatures and exhibited better tolerance and stability during long-run experiments (28 h) as compared to undoped K-OMS-2. The superior performance of Mo–K-OMS-2 catalyst for CO oxidation can be attributed to the following factors: (1) morphological evolution from nanofibers to nanospheres, as well as the slightly distorted structure, generated a sharp increase in the specific surface area up to 258 m2 g–1, hence, increased the number of surface active sites; (2) improved mobility of reactive oxygen species at the surface and enhanced redox properties; and (3) tailored electronic properties promoted more active sites for oxidation reactions, which is supported by DFT calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Effect of Carbon Support Heat Treatment on the Performance of Ion-Pair High-Temperature PEM Fuel Cells

Heat treatment can significantly alter the physical and chemical properties of carbon supports, thereby influencing the performance of proton exchange membrane (PEM) fuel cells. This study explores how varying carbon heat treatment temperatures—from 1,000 °C to 2,200 °C—affect the structure and performance of platinum-based catalysts in high-temperature PEM fuel cells. Increasing the heat treatment temperature led to a notable decrease in surface area, along with increases in carbon grain size and hydrophobicity. Although the catalyst supported on carbon treated at 1,000 °C exhibited the highest catalyst activity, the MEA using carbon treated at 1,500 °C delivered the best overall fuel cell performance. This is attributed to an optimized balance between hydrophobicity and accessible surface area, which enhances water management and catalyst utilization. These findings underscore the importance of carbon support engineering in improving the efficiency of ion-pair high-temperature PEM fuel cells.

08 HYDROGEN↗
DOE OSTI2022

Tin sensitization and silver activation on indium tin oxide surfaces

Adhesion of electrical contacts on electronic and optoelectronic devices is important for reliable device operation. Sn-sensitization is a widely used process that improves uniformity and adhesion of plated metals to glass and polymer surfaces. Electrically conductive substrates can significantly benefit from improved uniformity, adhesion, and contact resistance to metallic contact layers. In this study, we investigate the process of Sn-sensitization and Ag-activation on indium tin oxide (ITO) surfaces—a dominant transparent conducting oxide used in optoelectronic devices. Here, our results show that ITO films exposed to Sn-sensitization solutions with HCl concentrations below 10 mM effectively modify the surface termination through the process of Sn-sensitization (Sn-bonding at the surface hydroxide sites) without etching the ITO film. However, the subsequent Ag-activation on an ITO surface does not seem to follow the typical response on a glass substrate, suggesting that Ag-activation of an ITO surface is likely limited by the Ag ion size relative to the area density of surface hydroxide sensitization sites.

42 ENGINEERING↗