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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quantum-Confined Lifshitz Transition on Weyl Semimetal T d -MoTe 2

Adsorption of alkali atoms onto material surfaces is widely utilized for controlling electronic properties and is particularly effective for two-dimensional materials. While tuning the chemical potential and band gap and creating quantum-confined states are well established for alkali adsorption on semiconductors, the effects on semimetallic systems remain largely elusive. Here, utilizing angle-resolved photoemission spectroscopy measurements and density functional theory calculations, we disclose the creation of two-dimensional electron gas and the quantum-confined Lifshitz transition at the surface of a Weyl semimetal T d -MoTe 2 by potassium adsorption. Electrons from potassium adatoms are shown to be transferred mainly to the lowest unoccupied band within the gapped part of the Brillouin zone, which, in turn, induces strong surface band bending and quantum confinement in the topmost layer. The quantum-confined topmost layer evolves from a semimetal to a strong metal with a Lifshitz transition departing substantially from the bulk band. The present finding and its underlying mechanism can be exploited for the creation of electronic heterojunctions in van der Waals semimetals.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Anisotropic transport in modulation-doped quantum-well structures

Anisotropic electron transport has been observed in GaAs modulation-doped quantum wells grown by molecular-beam epitaxy on a thick (001) Al(0.3)Ga(0.7)As buffer grown at 620 C. Thicker quantum wells (150, 200, and 300 A) show progressively less anisotropy, which vanishes for a 300-A quantum well. The degree of anisotropy is also reduced or eliminated by suspending growth of the Al(0.3)Ga(0.7)As for a period of 300 s prior to growing the GaAs quantum well. Growing the Al(0.3)Ga(0.7)As buffer at higher temperatures (680 C) also reduces the degree of anisotropy. Higher two-dimensional electron gas sheet densities result in less anisotropy.The anisotropy is eliminated by replacing the thick Al(0.3)Ga(0.7)As buffer with a periodic multilayer structure comprising 15 A of GaAs and 200 A of Al(0.3)Ga(0.7)As. The degree of anisotropy is related to the thickness and growth parameters of the Al(0.3)Ga(0.7)As layer grown just prior to the growth of the GaAs.

Radulescu, D. C.↗
DOE OSTI2021

Oxide evolution on the SiC layer of TRISO particles during extended air oxidation

Tristructural isotropic (TRISO) fuel particles have been primarily developed for high-temperature gas-cooled nuclear reactors and can be subjected to oxidizing environments for extended periods in an off-normal accident scenario. Surrogate TRISO fuel particles were oxidized in air at 1,000 or 1,100 °C for up to 120 h. Here, the oxide scale morphology and thickness were studied via scanning electron microscopy, focused ion beam, and atomic force microscopy. TRISO particles oxidized at 1,100 °C exhibited a highly crystalline oxide scale, which led to significant cracking and irregularly shaped closed porosity, whereas those oxidized at 1,000 °C possessed a primarily amorphous oxide scale, which contained small, rounded internal pores and no larger defects. The observed phenomena deviated from the expected behavior based on models for oxide growth on flat-plate and fiber SiC. The oxidation kinetics of TRISO fuel particles in high-temperature air were investigated without mechanically deforming the surface and were analyzed with respect to oxide morphology.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Fission product distribution in irradiated safety-tested and as-irradiated AGR-2 TRISO particles

In this work, two tristructural isotropic (TRISO)-coated nuclear fuel particles were examined by electron probe microanalysis (EPMA) as part of the Advanced Gas Reactor program. The compacts’ average irradiation temperatures ranged from approximately 1260 to 1290 °C. One particle was examined in the as-irradiated condition, while the other was subject to 1600 °C post-irradiation safety testing. This study was undertaken to test a newly-developed EPMA technique to determine fission product masses in TRISO particles on a layer-by-layer basis, and to compare fission product distributions between an as-irradiated and safety-tested particle. Fission product concentration profiles were collected along two radii in each particle, with measured concentrations used to compute the fission product mass in each TRISO particle layer. These measured masses were then compared to those predicted from ORIGEN modeling calculations. Data collected from these measurements show that for these two particles, masses determined via EPMA were within ± 20% of the calculated masses for the rare-earth elements, Mo, Zr, Cs, I, and Pd. Elements that tend to be less homogeneously distributed include Sr, Te, Eu, Ag, and possibly Ba. Measured Ag masses differed by more than 40% from the calculated mass. Lanthanides other than Eu remain primarily within the fuel kernel in the as-irradiated particle but in the safety-tested particle these element masses were divided approximately equally between the kernel and kernel periphery. In both particles, the majority of Sr and Eu accumulated in the carbon-rich kernel periphery, although in the safety-tested particle, Sr and Eu accumulated farther from the fuel kernel than occurred with irradiation alone. A greater mass fraction of mobile elements, such as Cs and I accumulated in the buffer and IPyC in the safety-tested particle as compared to the as-irradiated particle. When fully developed and tested, this mass balance approach to TRISO particle analysis has the potential to provide insight into fuel behavior.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

In Situ Oxidation Studies of High-Entropy Alloy Nanoparticles

Although high-entropy alloys (HEAs) have shown tremendous potential for elevated temperature, anticorrosion, and catalysis applications, little is known on how HEA materials behave under complex service environments. Herein, we studied the high-temperature oxidation behavior of Fe 0.28 Co 0.21 Ni 0.20 Cu 0.08 Pt 0.23 HEA nanoparticles (NPs) in an atmospheric pressure dry air environment by in situ gas-cell transmission electron microscopy. It is found that the oxidation of HEA NPs is governed by Kirkendall effects with logarithmic oxidation rates rather than parabolic as predicted by Wagner's theory. Further, the HEA NPs are found to oxidize at a significantly slower rate compared to monometallic NPs. The outward diffusion of transition metals and formation of disordered oxide layer are observed in real time and confirmed through analytical energy dispersive spectroscopy, and electron energy loss spectroscopy characterizations. Localized ordered lattices are identified in the oxide, suggesting the formation of Fe 2 O 3 , CoO, NiO, and CuO crystallites in an overall disordered matrix. Hybrid Monte Carlo and molecular dynamics simulations based on first-principles energies and forces support these findings and show that the oxidation drives surface segregation of Fe, Co, Ni, and Cu, while Pt stays in the core region. The present work offers key insights into how HEA NPs behave under high-temperature oxidizing environment and sheds light on future design of highly stable alloys under complex service conditions.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Mach 1 oxidation of thoriated nickel chromium at 1204 C /2200 F/.

Electropolished and ground samples of TD-NiCr were exposed to a 1-atm, Mach 1 gas stream at 1204 C for times up to 50 hr. The samples were subjected to both cyclic and isothermal exposure. Weight change, metal loss, X-ray diffraction, metallographic, and electron microprobe analyses were performed. Neither surface preparation nor cyclic-against-isothermal-exposure conditions had a strong effect on the oxidation behavior of the alloy. Initially, a Cr2O3 layer was formed whose volatilization resulted in a very rapid loss of metal - more than 40 microns in the first hour. At about 1 hr, the Cr2O3 layer broke down and NiO began to cover the surface. By 5 hr, the NiO had covered the surface and the rate of loss slowed. The rate-controlling step was diffusion of Cr through NiO.

Lowell, C. E.↗
DOE OSTI2025

Oxygen Reduction on Platinum-Nickel and Platinum-Cobalt Alloy Based Catalysts for High Temperature Proton Exchange Membrane Fuel Cells

Catalyst layers, with commercial PtNi/TKK (TECNiE52; platinum 46.5 wt%), PtCo/TKK (TEC36E52; platinum 45.8 wt%) catalysts, and an in-house catalyst PtNi-NC (platinum 38.4 wt%), synthesised using acoustic mixer and a tube furnace, are prepared using three different ionomers: 20 wt% Nafion®, 60 wt% polytetrafluoroethylene (PTFE), and an in-house 5 wt% ionomer (‘Ionomer X’). These inks are bar-coated onto carbon paper gas diffusion layers (GDLs), which are cut into 3 cm × 5 cm pieces. The coated layers are tested for oxygen reduction in a commercial gas diffusion electrode (GDE) test cell, FlexCell® (Gaskatel GmbH, Germany), using 85 wt% phosphoric acid at both room temperature and at 155°C. This study evaluates the polynorbornene (PNB)-based in-house ionomer performance as binder and in-house catalyst oxygen reduction reaction (ORR) activity in comparison to commercial products. The catalyst layers are characterised using X-ray diffraction (XRD) analysis, X-ray photoelectron spectroscopy (XPS), and high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). Among the catalyst layers prepared with PTFE ionomer and tested at 155°C, the in-house catalyst demonstrates the highest ORR activity. Ionomer X proves to be a good candidate to be used as a per- and polyfluoroalkyl-free binder for high-temperature (HT) proton exchange membrane fuel cell (PEMFC) applications.

85 wt% phosphoric acid↗
NASA NTRS2006

Materials

NASA Langley Research Center has successfully developed an electron beam freeform fabrication (EBF3) process, a rapid metal deposition process that works efficiently with a variety of weldable alloys. The EBF3 process can be used to build a complex, unitized part in a layer-additive fashion, although the more immediate payoff is for use as a manufacturing process for adding details to components fabricated from simplified castings and forgings or plate products. The EBF3 process produces structural metallic parts with strengths comparable to that of wrought product forms and has been demonstrated on aluminum, titanium, and nickel-based alloys to date. The EBF3 process introduces metal wire feedstock into a molten pool that is created and sustained using a focused electron beam in a vacuum environment. Operation in a vacuum ensures a clean process environment and eliminates the need for a consumable shield gas. Advanced metal manufacturing methods such as EBF3 are being explored for fabrication and repair of aerospace structures, offering potential for improvements in cost, weight, and performance to enhance mission success for aircraft, launch vehicles, and spacecraft. Near-term applications of the EBF3 process are most likely to be implemented for cost reduction and lead time reduction through addition of details onto simplified preforms (casting or forging). This is particularly attractive for components with protruding details that would require a significantly large volume of material to be machined away from an oversized forging, offering significant reductions to the buy-to-fly ratio. Future far-term applications promise improved structural efficiency through reduced weight and improved performance by exploiting the layer-additive nature of the EBF3 process to fabricate tailored unitized structures with functionally graded microstructures and compositions.

Glaessgen, Edward H.↗
DOE OSTI2022

In-situ microstructure observation of oxidized SiC layer in surrogate TRISO fuel particles under krypton ion irradiation

In accidental scenarios of high temperature gas-cooled reactors, both oxidation of and irradiation to the SiC layer in tri-structural-isotropic (TRISO) fuel particles can change the microstructure and integrity of the fuel elements. Here, in the present study, microstructure and defect evolution in the oxidized SiC layer of surrogate TRISO fuel particles under 1.2 MeV krypton ion irradiation was observed by in-situ transmission electron microscopy. The SiC layers oxidized in water vapor at 1200 °C were irradiated azt room temperature and 800 °C and at damage levels of 0.28–11.2 dpa, respectively. SiC and SiO 2 were found to still be in their crystal structures at the damage level of 11.2 dpa at 800 °C, while SiC was observed to have been amorphized at only 0.56 dpa irradiation at room temperature. The defect number density at 800 °C was an order of magnitude lower than that in the sample irradiated at room temperature. Also, crystalline SiO 2 had higher radiation resistance compared to SiC. A defect reaction rate theory was utilized to understand the fundamental defect evolution process and irradiation resistance difference.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Multi-technique characterization of spray coated and roll-to-roll coated gas diffusion fuel cell electrodes

Here this work reports the characterization of catalyst layer (CL) structure and composition for a set of gas-diffusion electrodes (GDEs) fabricated by different coating methods with the goal of developing a better understanding of CL processing-structure-property-performance relationships. The CL coating techniques used in this study were ultrasonic spray coating, and two roll-to-roll (R2R) methods - gravure and slot die. Scanning transmission electron microscopy (STEM) coupled with X-ray energy dispersive spectroscopy (EDS) analysis of GDE cross-sections provided bulk information, while scanning electron microscopy (SEM) with EDS and X-ray photoelectron spectroscopy (XPS) were used to investigate the near surface and surface composition of the CLs that will be in direct contact with the membrane once the membrane electrode assembly (MEA) is constructed. This study demonstrates that common quantification parameters, namely the F:Pt ratio extracted from cross-sectional STEM-EDS maps and top-down CL measurements with SEM and XPS, along with roughness parameters quantified from SEM micrographs are useful parameters in explaining and potentially predicting performance trends. Additionally, it highlights the importance of understanding key CL surface properties for advancing the manufacturability of high-performance components for polymer electrolyte membrane (PEM) technologies.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Perfect Coulomb drag and exciton transport in an excitonic insulator

Strongly coupled electron-hole bilayers can host quantum states of interlayer excitons, such as high-temperature exciton condensates at zero magnetic field. This state is predicted to feature perfect Coulomb drag, where a current in one layer is accompanied by an equal but opposite current in the other. We used an optical technique to probe the electrical transport of correlated electron-hole bilayers based on MoSe2/hBN/WSe2 heterostructures. We observed perfect Coulomb drag in the excitonic insulator phase at low temperatures; the counterflow resistance of interlayer excitons remained finite. These results indicate the formation of an exciton gas that does not condense into a superfluid. Our work demonstrates that dynamic optical spectroscopy provides a powerful tool for probing exciton transport behavior in correlated electron-hole fluids.

Qi, Ruishi↗
NASA NTRS1988

Spacelab 1 experiments on interactions of an energetic electron beam with neutral gas

An unusual signature of return current and spacecraft charging potential was observed during the Spacelab 1 mission launched on November 28, 1983. The phenomenon occurred during neutral gas releases from the SEPAC (Space Experiments with Particle Accelerators) magnetoplasma-dynamic arcjet (MPD) concurrent with firings of the PICPAB (Phenomena Induced by Charged Particle Beams) electron gun and was recorded by the instruments of the SEPAC diagnostic package (DGP). Data from the langmuir probe, floating probes, neutral gas pressure gauge, and the plasma wave probes are reported. As the dense neutral gas was released, the return current measured by the langmuir probe changed from positive to negative and a positive potential relative to the spacecraft was measured by the floating probe. The anomalous return current is believed to be attributable to secondary electron fluxes escaping from the spacecraft, and the unusual charging situation is attributed to the formation of a double-layer structure between a hot plasma cloud localized to the MPD and the spacecraft. The charging scenario is supported by a computer simulation.

Marshall, J. A.↗
DOE OSTI2019

Evaluation of Gas Formation and Consumption Driven by Crossover Effect in High-Voltage Lithium-Ion Batteries with Ni-Rich NMC Cathodes

Gas formation during lithium-ion battery (LIB) cycling impacts the stability and safety of these batteries, especially for those containing Ni-rich NMC cathodes. In this paper, the cycling performance and gassing behavior of NMC811/graphite full cells with 4.2 and 4.4 V upper cutoff voltages were first compared. We report cells with a 4.2 V upper cutoff voltage had good cycling stability, exhibiting a capacity retention of 96.8% after 100 cycles and generated little gas. On the other hand, cells with a 4.4 V upper cutoff voltage lost over 25% of initial capacity after 100 cycles and generated large amounts of gas in the first 10 cycles. Electrochemical cycling of anode and cathode symmetric cells was implemented to isolate gases formed at the electrode. Gas chromatography–mass spectrometry, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, and scanning transmission electron microscopy were used to characterize the gas formation and associated material surfaces and structural properties. It was found that CO2 and fluorinated alkanes were the dominant gases evolved on the cathode side during cycling to 4.4 V. Gas crossover to the anode led to the depletion of gaseous products, which stabilized the cell performance to some extent. However, the growing surface reconstruction layer at the cathode, the thickening of the solid electrolyte interphase layer at the anode, and the gradual depletion of lithium inventory collectively contributed to the continuous capacity loss of full cells cycled to 4.4 V.

25 ENERGY STORAGE↗
DOE OSTI2023

Probing and controlling oxygen impurity diffusion in h -BN semi-bulk crystals

Combining its unique features of ultrawide bandgap (UWBG) and two-dimensional nature, h-BN has been explored for emerging applications such as deep ultraviolet optoelectronic devices and single photon emitters. One of the unusual applications of h-BN is for solid-state neutron detectors by utilizing the property of high thermal neutron capture cross section of B-10 as well as its UWBG properties. Although a record high detection efficiency of 59% has been attained by h-BN detectors, the understanding/minimization of defects and impurities is still needed to further advance the h-BN material and detector technologies. We report metal organic chemical vapor deposition growth and oxygen (O) impurity diffusion in thick h-BN. The diffusion coefficient (D) of O impurities has been measured via the evolution of an oxygen related emission with the etching depth, providing a value of D of ∼ 2 × 10−13 cm2/s at 1450 °C and supporting the interpretation that oxygen in h-BN is a substitutional donor. A multiple-buffer-layer approach was employed to mitigate to a certain degree the issue of oxygen diffusion from sapphire substrate during growth. It was demonstrated that the performance of h-BN neutron detectors fabricated from the wafer incorporating multiple buffer layers was significantly improved, as manifested by the enhanced thermal neutron detection efficiency. The advancement of the crystal growth technology of h-BN semi-bulk crystals creates applications in optoelectronic and power electronic devices utilizing the UWBG semiconductor properties of h-BN, while high efficiency h-BN neutron detectors have the potential to supplant the traditional He-3 gas detectors in various application areas by offering the obvious advantages of UWBG semiconductor technologies.

Physics↗
NASA NTRS1991

Current collection by conducting bodies in the low earth orbit

Collection of electrons by a conducting cylinder in a flowing magnetized plasma is studied by means of numerical simulations. Transport of electrons across magnetic field lines in regions of large electric fields in the sheath structure of the cylinder is demonstrated. The potential structures, current flow in the plasma and plasma distributions around the cylinder are presented with and without a release of a neutral gas plume near the cylinder. The simulation with the plume shows current enhancement and formation of a double layer, which is found to be highly dynamic. The simulation with the neutral gas plume simulates the plasma processes occurring in a plasma contactor.

Singh, Nagendra↗
DOE OSTI2020

Microstructural Evolution and ORR Activity of Nanocolumnar Platinum Thin Films with Different Mass Loadings Grown by High Pressure Sputtering

Nanocolumnar platinum thin films (Pt-TFs) with different Pt mass loadings were grown by high pressure sputtering (HIPS) and investigated as oxygen reduction reaction (ORR) electrocatalysts for polymer electrolyte membrane fuel cell applications. Mass loading was controlled by changing the sputter deposition time. A cauliflower-like columnar microstructure was achieved by depositing the Pt-TFs onto a microporous layer (MPL)-like surface composed of carbon particles in order to mimic catalyst-coated gas diffusion electrodes. Microstructural evolution of HIPS Pt-TFs and their ORR activity were investigated. Electrochemical characterization of the nanocolumnar Pt-TFs was performed by cyclic voltammetry and rotating disk electrode measurements on Pt-TF/MPL-like-layer/glassy-carbon samples in an aqueous perchloric acid electrolyte. The electrochemically active surface area increased from 18 to 39 m 2 g –1 as the Pt mass loading was decreased. Specific activity of the films was similar (~600 μA cm –2 ) for all Pt mass loadings, due to the similar nanoparticle sizes of ~5 nm as observed by transmission electron microscopy and X-ray diffraction. Furthermore, mass activity of the films increased from 0.11 to 0.26 A mg –1 as the Pt mass loading was decreased, which is an indication of the effective Pt utilization and better access through the catalyst layer at lower Pt mass loadings.

08 HYDROGEN↗
DOE OSTI2020

Rapid assessment of structural and compositional changes during early stages of zirconium alloy oxidation

A multimodal chemical imaging approach has been developed and applied to detail the dynamic, atomic-scale changes associated with oxidation of a zirconium alloy (Zircaloy-4). Scanning transmission electron microscopy, a gas-phase reactor chamber attached to an atom probe tomography instrument, and synchrotron-based X-ray absorption near-edge spectroscopy were employed to reveal morphology, composition, crystal, and electronic structure changes that occur during initial stages of oxidation at 300 °C. Oxidation was carried out in 10 mbar O 2 gas for short exposure times of 1 and 5 min. A multilayered oxide film with a cubic ZrO adjacent to the oxide/metal interface, a nanoscopic transition region with a graded composition of ZrO 2-x (where 0 < x < 1), and tetragonal ZrO 2 in the outermost oxide were formed. Partitioning of the major alloying element (tin) to the oxide/metal interface and heterogeneously within the oxide accompanied the development of the layered oxide. Our work provides a rapid, high-throughput approach for detailed characterisation of initial stages of zirconium alloy oxidation at an accelerated time scale, with implications for several other alloy systems.

36 MATERIALS SCIENCE↗
NASA NTRS1976

Helium emission from model flare layers

The emission of visible and UV He I and He II line radiation from a plane-parallel model flare layer characterized by electron temperatures of 10,000 to 50,000 K and electron densities of 10 to the 10th power to 10 to the 15th power per cu cm is analyzed by solving the statistical-equilibrium equations for a 30-level He I-II-III system, using parametric representations of the line and continuum radiation fields. The atomic model was chosen to provide accurate solutions for the first two resonance lines of He I and He II as well as for the D3 and 10,830-A lines of He I. Reaction rates are discussed, and sample solutions to the steady-state population equations are given for a generally optically thin gas assumed to be irradiated over 2pi sr by a blackbody spectrum at 6000 K. Specific results are examined for ionization equilibrium, level populations, approximate optical depths of a 1000-km-thick flare layer, line intensities, and upper-level population rates.

Kulander, J. I.↗