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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

The oxidation of titanium films saturated with nitrogen at 300 K

In a two-chamber system designed for physical adsorption studies, a titanium film was deposited and exposed to nitrogen. Oxygen was then admitted into the system. However, the presence of oxygen could not be detected by the mass spectrometer during the first 300 seconds of oxygen admission. On the basis of the data it is assumed that the capture probability of the nitrogen-saturated titanium film for oxygen is very nearly 1. Based on this assumption, the titanium film adsorbed approximately 3 monolayers of oxygen.

Outlaw, R. A.↗
NASA NTRS1993

Oxidation-Resistant Coating For Bipolar Lead/Acid Battery

Cathode side of bipolar substrate coated with nonoxidizable conductive layer. Coating prepared as water slurry of aqueous dispersion of polyethylene copolymer plus such conductive fillers as tin oxide, titanium, tantalum, or tungsten oxide. Applied easily to substrate of polyethylene carbon plastic. As slurry dries, conductive, oxidation-resistant coating forms on positive side of substrate.

Bolstad, James J.↗
NASA NTRS1966

Meteoritic rutile.

Rutile in meteorites, noting presence of titanium oxide as result of electron microprobe studies

RUTILE↗
DOE OSTI2021

Submonolayer Is Enough: Switching Reaction Channels on Pt/SiO 2 by Atomic Layer Deposition

The reaction mechanism of CO 2 with H 2 is studied on platinum nanoparticles supported on fumed silica. It is found that platinum nanoparticle size, reaction temperature, and metal oxide promoters play important roles in determining the reaction rate and the mechanism of forming surface carbonyl species. Metal oxide promoters consist of sub-monolayer titanium oxide or aluminum oxide overcoated onto the catalysts by atomic layer deposition (ALD). Furthermore, these alter the CO formation rate, influence the adsorption and desorption behavior, and switch the surface reaction channel from Eley-Rideal to Langmuir-Hinshelwood mechanism due to an enhancement of CO 2 affinity to the metal-metal oxide interface. At the temperatures relevant for catalytic turnover, ALD overcoating significantly increases catalytic activity in CO 2 hydrogenation to CH 4 and CO, while the identity of the oxide overcoat helps control product selectivity.

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

Multiscale Modeling of Nanoparticle Precipitation in Oxide Dispersion-Strengthened Steels Produced by Laser Powder Bed Fusion

Laser Powder Bed Fusion (LPBF) enables the efficient production of near-net-shape oxide dispersion-strengthened (ODS) alloys, which possess superior mechanical properties due to oxide nanoparticles (e.g., yttrium oxide, Y-O, and yttrium-titanium oxide, Y-Ti-O) embedded in the alloy matrix. To better understand the precipitation mechanisms of the oxide nanoparticles and predict their size distribution under LPBF conditions, we developed an innovative physics-based multiscale modeling strategy that incorporates multiple computational approaches. These include a finite volume method model (Flow3D) to analyze the temperature field and cooling rate of the melt pool during the LPBF process, a density functional theory model to calculate the binding energy of Y-O particles and the temperature-dependent diffusivities of Y and O in molten 316L stainless steel (SS), and a cluster dynamics model to evaluate the kinetic evolution and size distribution of Y-O nanoparticles in as-fabricated 316L SS ODS alloys. The model-predicted particle sizes exhibit good agreement with experimental measurements across various LPBF process parameters, i.e., laser power (110–220 W) and scanning speed (150–900 mm/s), demonstrating the reliability and predictive power of the modeling approach. The multiscale approach can be used to guide the future design of experimental process parameters to control oxide nanoparticle characteristics in LPBF-manufactured ODS alloys. Additionally, our approach introduces a novel strategy for understanding and modeling the thermodynamics and kinetics of precipitation in high-temperature systems, particularly molten alloys.

Wang, Zhengming (ORCID:0000000241627112)↗
NASA NTRS1991

Thin coatings for protecting titanium aluminides in high-temperature oxidizing environments

Titanium aluminides have high specific strengths at high temperatures but are susceptible to environmental attack. Their use in many aerospace applications would require that they be protected with coatings that, for structural efficiency, must be thin. It is conceivable that acceptable coatings might be found in several oxide systems, and consequently, oxide coatings of many compositions were prepared from sol-gels for study. Response-surface methodology was used to refine coating compositions and factorial experiments were used to develop coating strategies. Oxygen permeability diagrams of two-layer coatings for several oxide systems, an analysis of multiple-layer coatings on rough and polished surfaces, and modeling of the oxidation weight gain are presented.

Wiedemann, K. E.↗
DOE OSTI2021

Neutral Metals in the Atmosphere of HD 149026b

Recent progress in high-dispersion spectroscopy has revealed the presence of vaporized heavy metals and ions in the atmosphere of hot Jupiters whose dayside temperature is larger than 2000 K, categorized as ultrahot Jupiters (UHJs). Using the archival data of high-resolution transmission spectroscopy obtained with the Subaru telescope, we searched for neutral metals in HD 149026b, a hot Jupiter cooler than UHJs. By removing stellar and telluric absorption and using a cross-correlation technique, we report a tentative detection of neutral titanium with 4.4σ and a marginal signal of neutral iron with 2.8σ in the atmosphere. This is the first detection of neutral titanium in an exoplanetary atmosphere. In this temperature range, titanium tends to form titanium oxide (TiO). The fact that we did not detect any signal from TiO suggests that the C/O ratio in the atmosphere is higher than the solar value. The detection of metals in the atmosphere of hot Jupiters cooler than UHJs will be useful for understanding the atmospheric structure and formation history of hot Jupiters.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

ARES I: WASP-76 b, A Tale of Two HST Spectra

We analyze the transmission and emission spectra of the ultra-hot Jupiter WASP-76 b, observed with the G141 grism of the Hubble Space Telescope’s (HST) Wide Field Camera 3 (WFC3). We reduce and fit the raw data for each observation using the open-source software Iraclis before performing a fully Bayesian retrieval using the publicly available analysis suite TauREx 3. Previous studies of the WFC3 transmission spectra of WASP-76 b found hints of titanium oxide (TiO) and vanadium oxide (VO) or non-gray clouds. Accounting for a fainter stellar companion to WASP-76, we reanalyze this data and show that removing the effects of this background star changes the slope of the spectrum, resulting in these visible absorbers no longer being detected, eliminating the need for a non-gray cloud model to adequately fit the data but maintaining the strong water feature previously seen. However, our analysis of the emission spectrum suggests the presence of TiO and an atmospheric thermal inversion, along with a significant amount of water. Given the brightness of the host star and the size of the atmospheric features, WASP-76 b is an excellent target for further characterization with HST, or with future facilities, to better understand the nature of its atmosphere, to confirm the presence of TiO and to search for other optical absorbers.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Origin of the Tunable Carrier Selectivity of Atomic-Layer-Deposited TiOx Nanolayers in Crystalline Silicon Colar Cells

Titanium oxide (TiOx) nanolayers grown by atomic layer deposition are investigated with respect to their application as carrier selective contacts for crystalline silicon (c-Si) solar cells. Although TiOx is known to act as an electron contact, in this work the selectivity of TiOx layers is found to be widely tunable from electron to hole selective depending on deposition conditions, post-deposition treatments, and work function of the metal electrode used. Using TiOx and an intrinsic hydrogenated amorphous silicon buffer layer, solar cell test structure exhibiting open-circuit voltages (Voc) as high as 720 and 650 mV are shown for electron and hole selective contacts, respectively. Surface photovoltage and capacitance-voltage measurements reveal that carrier selectivity is correlated with the amount of c-Si band bending induced by TiOx, which are governed not only by the effective work function difference at the Si/TiOx interface, but also by the negative fixed charge present in the TiOx layer. This new finding is in contrast to the previous model for carrier transport where selectivity is determined only by the asymmetric band offsets at the Si/contact interface. It highlights the influence of induced band bending to produce carrier depletion/inversion conditions, and the importance of its selectivity effect in a c-Si absorber.

14 SOLAR ENERGY↗
DOE OSTI2023

Structure-Based Design of Dual Bactericidal and Bacteria-Releasing Nanosurfaces

Here, we report synergistic nanostructured surfaces combining bactericidal and bacteria-releasing properties. A polystyrene-block-poly(methyl methacrylate) (PS-block-PMMA) diblock copolymer is used to fabricate vertically oriented cylindrical PS structures (“PS nanopillars”) on silicon substrates. The results demonstrate that the PS nanopillars (with a height of about 10 nm, size of about 50 nm, and spacing of about 70 nm) exhibit highly effective bactericidal and bacteria-releasing properties (“dual properties”) against Escherichia coli for at least 36 h of immersion in an E. coli solution. Interestingly, the PS nanopillars coated with a thin layer (≈3 nm thick) of titanium oxide (TiO 2 ) (“TiO 2 nanopillars”) show much improved dual properties against E. coli (a Gram-negative bacterium) compared to the PS nanopillars. Moreover, the dual properties emerge against Listeria monocytogenes (a Gram-positive bacterium). To understand the mechanisms underlying the multifaceted property of the nanopillars, coarse-grained molecular dynamics (MD) simulations of a lipid bilayer (as a simplified model for E. coli) in contact with a substrate containing hexagonally packed hydrophilic nanopillars were performed. The MD results demonstrate that when the bacterium–substrate interaction is strong, the lipid heads adsorb onto the nanopillar surfaces, conforming the shape of a lipid bilayer to the structure/curvature of nanopillars and generating high stress concentrations within the membrane (i.e., the driving force for rupture) at the edge of the nanopillars. Membrane rupture begins with the formation of pores between nanopillars (i.e., bactericidal activity) and ultimately leads to the membrane withdrawal from the nanopillar surface (i.e., bacteria-releasing activity). In the case of Gram-positive bacteria, the adhesion area to the pillar surface is limited due to the inherent stiffness of the bacteria, creating higher stress concentrations within a bacterial cell wall. In conclusion, the present study provides insight into the mechanism underlying the “adhesion-mediated” multifaceted property of nanosurfaces, which is crucial for the development of next-generation antibacterial surface coatings for relevant medical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

When Every Drum is a Win - Tackling a Thirty-Five Thousand Drum Legacy - 20064

Cameco Corporation's (Cameco) Port Hope Conversion Facility (PHCF) was previously owned by the federal Crown Corporation, Eldorado Nuclear, which held a significant inventory of legacy waste material at the time Cameco was formed in 1988. As a result, Cameco was granted an allocation of 150,000 cubic metres of space in the Long-Term Waste Management Facility (LTWMF) located in the Municipality of Port Hope (MPH), which opened to the receipt of Cameco material in June 2018. Cameco is currently undertaking a major site cleanup and renewal of its Port Hope Conversion Facility (PHCF) which is known as the Vision in Motion (VIM) project. Over its operating history, Eldorado accumulated an inventory of over 35,000 drums of accumulated waste that was primarily stored at two offside warehouse locations. In 2017 and 2018, the project focused on repackaging two well characterized legacy wastes (magnesium fluoride slag and depleted uranium titanium oxide) from one of the two offsite locations. At the conclusion of this work, approximately 15,000 drums of these wastes had been repackaged and disposed of at the LTWMF. There remained approximately 1000 drums from this location that either could not be repackaged safely or were different waste types and required further verification and/or processing. The buildings at this location were scheduled for demolition in early 2019, which triggered the development of a process for triaging legacy drums in August 2018, which allowed for preparation and shipment of approximately half of these drums to the LTWMF by March 2019, with the remainder moved to the second offsite warehouse location in February 2019 for further characterization which is ongoing. This paper will discuss key lessons learned as the drummed legacy waste disposal inventory has been reduced to approximately half of the initial inventory. This will include the development of an alternate packaging process; prioritization of characterization activities and selection of techniques where minimal inventory information is available; determination of next step(s) for each drum as it is assessed; key safety considerations; and how to make inroads into an overwhelming task while under public and regulatory scrutiny. In a relatively short period of time, significant progress has been made to organize and gather information about the legacy waste, update the inventory records and determine the most appropriate pathways (i.e. LTWMF disposal, disposal at another appropriate facility, site storage until future processing and/or disposal). Since 2017 the volume of the decades-old legacy waste inventory has decreased significantly. With the majority of the known materials safely disposed of at the LTWMF, every drum removed from the endless rows of 20,000 pyramidally-stacked waste drums with limited history that is safely characterized, prepared and shipped is considered a win. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Ultrathin stable Ohmic contacts for high-temperature operation of β -Ga2O3 devices

Beta gallium oxide (β-Ga2O3) shows significant promise in high-temperature, high-power, and sensing electronics applications. However, long-term stable metallization layers for Ohmic contacts at high temperatures present unique thermodynamic challenges. The current most common Ohmic contact design based on 20 nm of Ti has been repeatedly demonstrated to fail at even moderately elevated temperatures (300–400 °C) due to a combination of nonstoichiometric Ti/Ga2O3 interfacial reactions and kinetically favored Ti diffusion processes. Here, we demonstrate stable Ohmic contacts for Ga2O3 devices operating up to 500–600 °C using ultrathin Ti layers with a self-limiting interfacial reaction. The ultrathin Ti layer in the 5 nm Ti/100 nm Au contact stack is designed to fully oxidize while forming an Ohmic contact, thereby limiting both thermodynamic and kinetic instability. This novel contact design strategy results in an epitaxial conductive anatase titanium oxide interface layer that enables low-resistance Ohmic contacts that are stable both under long-term continuous operation (>500 h) at 600 °C in vacuum (≤10−4 Torr), as well as after repeated thermal cycling (15 times) between room temperature and 550 °C in flowing N2. This stable Ohmic contact design will accelerate the development of high-temperature devices by enabling research focus to shift toward rectifying interfaces and other interfacial layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1996

Heterogeneous Photocatalytic Oxidation of Atmospheric Trace Contaminants

Heterogeneous photocatalysis involves the use of a light-activated catalyst at room temperature in order to carry out a desired reaction. In the presence of molecular oxygen, illumination of the n-type semiconductor oxide titanium dioxide (TiO2) provides for production of highly active forms of oxygen, such as hydroxyl radicals, which are able to carry out the complete oxidative destruction of simple hydrocarbons such as methane, ethane, ethylene, propylene, and carbon monoxide. This broad oxidation potential, coupled with the ability with sufficient residence time to achieve complete oxidation of simple hydrocarbon contaminants to carbon dioxide and water, indicated that heterogeneous photocatalysis should be examined for its potential for purification of spacecraft air. If a successful catalyst and photoreactor could be demonstrated at the laboratory level, such results would allow consideration of photocatalysts as a partial or complete replacement of adsorption systems, thereby allowing for reduction in lift-off weight of a portion of the life support system for the spacecraft, or other related application such as a space station or a conventional commercial aircraft. The present research was undertaken to explore this potential through achievement of the following plan of work: (a) ascertain the intrinsic kinetics of conversion of pollutants of interest in spacecraft, (b) ascertain the expected lifetime of catalysts through examination of most likely routes of catalyst deactivation and regeneration, (c) model and explore experimentally the low pressure drop catalytic monolith, a commercial configuration for automotive exhaust control, and (d) examine the kinetics of multicomponent conversions. In the recent course of this work, we have also discovered how to increase catalyst activity via halide promotion which has allowed us to achieve approximately 100% conversion of an aromatic contaminant (toluene) in a very short residence time of 5-6 milliseconds.

Ollis, David F.↗