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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 73 records · Page 4

First-principles study of the surface properties of uranium carbides

Uranium carbides have attracted renewed interest as advanced nuclear fuels for Generation IV reactors. As an important property required for gas bubble modeling in nuclear fuels, the surface energy of uranium carbides is scarce in literature. In this work, we study the surface properties of uranium carbides by first-principles density functional theory calculations. Surface orientations with maximum Miller index up to 3, 2 and 2 are investigated for UC, U 2 C 3 and α-UC 2 , respectively. By studying the effects of surface termination and chemical potential on surface energy, we identify the factors that determines the surface stability. From the calculated surface energies, the surface properties of uranium carbide single crystals are obtained from Wulff construction, including equilibrium morphology, dominant surface orientation and area weighted surface energy.

36 MATERIALS SCIENCE↗

Photoelectron spectrometer with means for stabilizing sample surface potential

An improved X-ray photoelectron spectrometer is disclosed, which includes circuit means to determine the surface potential of a sample, e.g., an insulator. The circuit means comprise an electron gun, whose potential is modulated at a preselected frequency above and below a selected potential with respect to the spectrometer common potential, e.g., ground. The beam of electrons is directed to the sample surface. The sample's surface potential is offset by an offset power supply with respect to the spectrometer common potential until the ac current which flows through the sample reaches a peak amplitude. A lock-in amplifier is included to measure the ac current in phase with the modulating frequency.

Grunthaner, F. J.↗

Durable, Low-Surface-Energy Treatments

Chemical treatment for creation of durable, low-surface-energy coatings for glass, ceramics and other protonated surfaces easily applied, and creates very thin semipermanent film with extremely low surface tension. Exhibits excellent stability; surfaces retreated if coating becomes damaged or eroded. Uses include water-repellent surfaces, oil-repellent surfaces, antimigration barriers, corrosion barriers, mold-release agents, and self-cleaning surfaces. Film resists wetting by water, alcohols, hydrocarbon solvents, and silicone oil. Has moderate resistance to abrasion, such as rubbing with cloths, and compression molding to polymers and composite materials.

Willis, Paul B.↗

Stabilizer Sacrificial Surfaces

An aircraft assembly is disclosed and includes a fuselage including a turbine engine mounted within the aft fuselage. A burst zone is defined about the turbine engine and a tail is disposed at least partially with the burst zone. The tail includes primary control surfaces and sacrificial control surfaces. The sacrificial control surfaces can break away in a defined manner to maintain integrity of the primary control surfaces outside of the burst zone.

Chandler, Jesse M.↗

Phase Control on Surface for the Stabilization of High Energy Cathode Materials of Lithium Ion Batteries

The development of high energy electrode materials for lithium ion batteries is challenged by their inherent instabilities, which become more aggravated as the energy densities continue to climb, accordingly causing increasing concerns on battery safety and reliability. Here, taking the high voltage cathode of LiNi 0.5 Mn 1.5 O 4 as an example, we demonstrate a protocol to stabilize this cathode through a systematic phase modulating on its particle surface. We are able to transfer the spinel surface into a 30 nm shell composed of two functional phases including a rock-salt one and a layered one. The former is electrochemically inert for surface stabilization while the latter is designated to provide necessary electrochemical activity. The precise synthesis control enables us to tune the ratio of these two phases, and achieve an optimized balance between improved stability against structural degradation without sacrificing its capacity. This study highlights the critical importance of well-tailored surface phase property for the cathode stabilization of high energy lithium ion batteries.

25 ENERGY STORAGE↗

Study of Chemical Etching and Chemo-Mechanical Polishing on CdZnTe Nuclear Detectors

Cadmium zinc telluride (CdZnTe) semiconductor has applications in the detection of Xrays and gamma-rays at room temperature without having to use a cooling system. Chemical etching and chemo-mechanical polishing are processes used to smoothen CdZnTe wafer during detector device fabrication. These processes reduce surface damages left after polishing the wafers. In this paper, we compare the effects of etching and chemo-mechanical polishing on CdZnTe nuclear detectors, using a solution of hydrogen bromide in hydrogen peroxide and ethylene glycol mixture. X-ray photoelectron spectroscopy (XPS) was used to monitor TeO 2 on the wafer surfaces. Current-voltage and detector-response measurements were made to study the electrical properties and energy resolution. XPS results showed that the chemical etching process resulted in the formation of more TeO 2 on the detector surfaces compared to chemo-mechanical polishing. The electrical resistivity of the detector is of the order of 10 10 Ω-cm. The chemo-mechanical polishing process increased the leakage current more that chemical etching. For freshly treated surfaces, the etching process is more detrimental to the energy resolution more than chemo-mechanically polishing. The energy resolutions of the CdZnTe wafers are expected to improve as the surfaces stabilize and result in reduced surface currents.

36 MATERIALS SCIENCE↗

Measurement of surface recombination velocity on heavily doped indium phosphide

Surface recombination velocity (SRV) on heavily doped n-type and p-type InP was measured as a function of surface treatment. For the limited range of substrates and surface treatments studied, SRV and surface stability depend strongly on the surface treatment. SRVs of 100,000 cm/sec in both p-type and n-type InP are obtainable, but in n-type the low-SRV surfaces were unstable, and the only stable surfaces on n-type had SRVs of more than 10to the 6th cm/sec.

Jenkins, Phillip↗

Single-crystal based studies for correlating the properties and high-voltage performance of Li[Ni x Mn y Co 1₋x₋y ]O 2 cathodes

Safe and stable cycling of lithium-ion battery cathodes at high voltages is essential for meeting next-generation energy storage demands, yet the lack of fundamental understanding of the correlation of a material's properties and reactivities largely hinders current progress. Here, we demonstrate how single-crystal samples with well-controlled physical characteristics can be used to unambiguously establish the relationships among specific properties, surface chemistry and electrochemical performance, enabling rational design of better performing cathode materials. Layered Li[Ni x Mn y Co 1₋x₋y ]O 2 (NMC) crystals, with four different particle shapes of an octahedron (Oct), truncated octahedron (T-Oct), polyhedron (Poly) and platelet (Plate), were prepared to vary the presence of (104), (001) and (012) family facets on the surface. This represents the first experimental verification of NMC morphologies that were theoretically calculated in the past. Systematic studies on the impact of isolated physical properties reveal the important roles of the Ni content, particle size and facet on surface stability and electrochemical performance. We show that compared to (012) surface dominated samples, high-voltage cycling stability was much improved on the (001) dominated Plate sample, suggesting that replacing the (012) surface with lower energy (001) and/or (104) surfaces can be effective in stabilizing NMCs during high energy applications. Our study moreover provides insights into how tailoring a material's surface properties can be used as an important route in balancing cathode capacity and stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Determining the oxidation stability of SnSe under atmospheric exposure

Abstract Understanding surface stability becomes critical as 2D materials like SnSe are developed for piezoelectric and optical applications. SnSe thin films deposited by molecular beam epitaxy showed no structural changes after a two-year exposure to atmosphere, as confirmed by X-ray diffraction and Raman spectroscopy. X-ray photoelectron spectroscopy and reflectivity show a stable 3.5 nm surface oxide layer, indicating a self-arresting oxidative process. Resistivity measurements show an electrical response dominated by SnSe post-exposure. This work shows that SnSe films can be used in ambient conditions with minimal risk of long-term degradation, which is critical for the development of piezoelectric or photovoltaic devices. Graphical Abstract

Chin, Jonathan R. (ORCID:0000000273205678)↗

Further Investigation Into the Use of Laser Surface Preparation of Ti-6Al-4V Alloy for Adhesive Bonding

Adhesive bonding offers many advantages over mechanical fastening, but requires robust materials and processing methodologies before it can be incorporated in primary structures for aerospace applications. Surface preparation is widely recognized as one of the key steps to producing robust and predictable bonds. This report documents an ongoing investigation of a surface preparation technique based on Nd:YAG laser ablation as a replacement for the chemical etch and/or abrasive processes currently applied to Ti-6Al-4V alloys. Laser ablation imparts both topographical and chemical changes to a surface that can lead to increased bond durability. A laser based process provides an alternative to chemical-immersion, manual abrasion, and grit blast process steps which are expensive, hazardous, environmentally unfriendly, and less precise. In addition, laser ablation is amenable to process automation, which can improve reproducibility to meet quality standards for surface preparation. An update on work involving adhesive property testing, surface characterization, surface stability, and the effect of laser surface treatment on fatigue behavior is presented. Based on the tests conducted, laser surface treatment is a viable replacement for the immersion chemical surface treatment processes. Testing also showed that the fatigue behavior of the Ti-6Al-4V alloy is comparable for surfaces treated with either laser ablation or chemical surface treatment.

Palmieri, Frank L.↗

In situ ambient pressure XPS study of Pt/Cu(111) single-atom alloy in catalytically relevant reaction conditions

The presence of multiple reactant gases as well as reaction intermediates in a heterogeneous catalytic reaction results in a complex interaction between different components of the catalyst with each gas, which can alter the surface and chemical state of the catalyst differently than in the presence of an individual gas alone. In this study, we used in situ ambient pressure x-ray photoelectron spectroscopy to study the surface state of Pt/Cu(111) single-atom alloy model system in two catalytically relevant reaction conditions: CO 2 hydrogenation and CO oxidation. We found that the activation of CO 2 results in the formation of CO, which adsorbs on Pt sites at up to 400 K. In the presence of CO 2 and H 2 , Pt catalyzes the reverse water–gas shift reaction, which produces more CO and further stabilizes surface Pt atoms at 450 K. On the other hand, in CO oxidation condition, the presence of O 2 results in the formation of a thick Cu 2 O layer at higher temperatures, and Pt atoms are no longer detected in the surface and subsurface layers. When O 2 is introduced to the sample before CO, the formation of a complete Cu 2 O layer that covers all Pt atoms occurs immediately at room temperature. Finally, however, when CO is introduced at room temperature before O 2 , the presence of adsorbed CO on Pt sites stabilizes the surface Pt atoms and prevents the formation of a complete Cu 2 O layer, thus exposing the Pt atoms in 'holes' in the Cu 2 O layer.

36 MATERIALS SCIENCE↗

Long-lived thermal control materials for high temperature and deep space applications

Considerable effort has been put into developing thermal-control materials for the Galileo space-craft. This paper presents a summary of these findings to date with emphasis on requirements, testing and results for the post-Challenger Galileo mission. Polyimide film (Kapton), due to its inherent stability in vacuum, UV, and radiation environments, combined with good mechanical properties over a large temperature range, has been the preferred substrate for spacecraft thermal control materials. Composite outer layers, using Kapton substrates, can be fabricated to meet the requirements of severe space environments. Included in the processing of Kapton-based composite outer layers can be the deposition of metal oxide, metallic and/or polymeric thin-film coatings to provide desirable electrical, optical and thermo-optical properties. In addition, reinforcement of Kapton substrates with fabrics and films is done to improve mechanical properties. Also these substrates can be filled with varying amounts of carbon to achieve particular electrical properties. The investigation and material development reported on here has led to improved thermo-gravimetric stability, surface conductivity, RF transparency, radiation and UV stability, flammability and handle-ability of outer layer thermal control materials for deep space and near-sun spacecraft. Designing, testing, and qualifying composite thermal-control film materials to meet the requirements of the Galileo spacecraft is the scope of this paper.

Whitt, Robin↗

Dopant Distribution in Co-Free High-Energy Layered Cathode Materials

The practical implementation of Co-free, LiNiO 2 -derived cathodes has been prohibited by their poor cycle life and thermal stability, concluded from the structural instability, phase transformations, reactive surfaces, and chemomechanical breakdown. With the hierarchical distribution of Mg/Ti dual dopants in LiNiO 2 , we report a Co-free layered oxide that exhibits enhanced bulk and surface stability. Ti shows a gradient distribution and is enriched at the surface, whereas Mg distributes homogeneously throughout the primary particles. The resulting Mg/Ti codoped LiNiO 2 delivers a material-level specific energy of ~780 W h/kg at C/10 with 96% retention after 50 cycles. The specific energy reaches ~680 W h/kg at 1C with 77% retention after 300 cycles. Furthermore, the Mg/Ti dual dopants improve the rate capability, thermal stability, and self-discharge resistance of LiNiO 2 . Our synchrotron X-ray, electron, and electrochemical diagnostics reveal that the Mg/Ti dual dopants mitigate phase transformations, reduce nickel dissolution, and stabilize the cathode–electrolyte interface, thus leading to the favorable battery performance in lithium metal and graphite cells. The current study suggests that engineering the dopant distribution in cathodes may provide an effective path toward lower cost, safer, and higher energy density Co-free lithium batteries.

25 ENERGY STORAGE↗

Assimilation of Goes-Derived Skin Temperature Tendencies into Mesoscale Models to Improve Forecasts of near Surface Air Temperature and Mixing Ratio

A technique has been developed for assimilating GOES-FR skin temperature tendencies into the surface energy budget equation of a mesoscale model so that the simulated rate of temperature chance closely agrees with the satellite observations. A critical assumption of the technique is that the availability of moisture (either from the soil or vegetation) is the least known term in the model's surface energy budget. Therefore, the simulated latent heat flux, which is a function of surface moisture availability, is adjusted based upon differences between the modeled and satellite-observed skin temperature tendencies. An advantage of this technique is that satellite temperature tendencies are assimilated in an energetically consistent manner that avoids energy imbalances and surface stability problems that arise from direct assimilation of surface shelter temperatures. The fact that the rate of change of the satellite skin temperature is used rather than the absolute temperature means that sensor calibration is not as critical. An advantage of this technique for short-range forecasts (0-48 h) is that it does not require a complex land-surface formulation within the atmospheric model. As a result, the need to specify poorly known soil and vegetative characteristics is eliminated. The GOES assimilation technique has been incorporated into the PSU/NCAR MM5. Results will be presented to demonstrate the ability of the assimilation scheme to improve short- term (0-48h) simulations of near-surface air temperature and mixing ratio during the warm season for several selected cases which exhibit a variety of atmospheric and land-surface conditions. In addition, validation of terms in the simulated surface energy budget will be presented using in situ data collected at the Southern Great Plains (SGP) Cloud And Radiation Testbed (CART) site as part of the Atmospheric Radiation Measurements Program (ARM).

Lapenta, William M.↗