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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 37 records · Page 2

Broadening of microwave heating beams in the DIII-D tokamak by edge turbulence

Abstract We have demonstrated for the first time that turbulent plasma density fluctuations in the edge of the DIII-D tokamak are responsible for substantial broadening of an injected microwave beam by successful quantitative comparison between experimental observations and first principles 2D full-wave simulations. The broadening of the beam has important implications for control of tokamak discharges through localized electron cyclotron deposition needed for eliminating magnetohydrodynamic instabilities. This new predictive capability is mandatory to design & operate present & future tokamaks in such a way that microwave heating schemes achieve their intended objectives.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Tunable and scalable fabrication of plasmonic dimer arrays with sub-10nm nanogaps by area-selective atomic layer deposition

Nanogaps in metallic nanostructures produce local field enhancements with potential applications in surface enhanced spectroscopy, solar energy conversion, and photocatalysis. Atomic layer deposition is applied as a conformal coating to modify nanogap sizes and tune the optical properties of plasmonic dimer arrays with sub-10 nm nanogaps. Nanostructures are fabricated using layers of gold and palladium to combine features of plasmonics and area-selective atomic layer deposition, where copper metal is deposited on palladium-covered surfaces. Direct measurements of optical extinction for successive smaller nanogaps and thicker copper coatings show that spectral features become broadened at first due to heating-induced shape changes but subsequently sharpen as copper coatings form on palladium structures. Furthermore, longitudinal resonances of plasmonic dimers blue shift for thin coatings due to heating and decreasing aspect ratio, but thicker coatings lead to red shifts due to narrowing nanogaps. Together, these results show that area-selective atomic layer deposition is a promising tool for achieving large area arrays of plasmonic dimers with sub-10 nm nanogaps.

Engineering↗

Emission FTIR analyses of thin microscopic patches of jet fuel residues deposited on heated metal surfaces

The relationship of fuel stability to fuel composition and the development of mechanisms for deposit formation were investigated. Fuel deposits reduce heat transfer efficiency and increase resistance to fuel flow and are highly detrimental to aircraft performance. Infrared emission Fourier transform spectroscopy was chosen as the primary method of analysis because it was sensitive enough to be used in-situ on tiny patches of monolayers or of only a few molecular layers of deposits which generally proved completely insoluble in any nondestructive solvents. Deposits of four base fuels were compared; dodecane, a dodecane/tetralin blend, commercial Jet A fuel, and a broadened-properties jet fuel particularly rich in polynuclear aromatics. Every fuel in turn was provided with and without small additions of such additives as thiophene, furan, pyrrole, and copper and iron naphthenates.

Lauer, J. L.↗

High temperature barrier coatings for refractory metals

Improvements in high temperature oxidation resistant metal coating technology will allow NASA and commercial entities to develop competitive civil space transport and communication systems. The success of investigations completed in this program will have a positive impact on broadening the technology base for high temperature materials. The work reported herein describes processes and procedures for successfully depositing coherent oxidation barrier coatings on refractory metals to prevent degradation under very severe operating environments. Application of the new technology developed is now being utilized in numerous Phase 3 applications through several prominent aerospace firms. Major achievements have included: (1) development of means to deposit thick platinum and rhodium coatings with lower stress and fewer microcracks than could be previously achieved; (2) development of processes to deposit thick adherent coatings of platinum group metals on refractory substrates that remain bonded through high temperature excursions and without need for intermediate coatings (bonding processes unique to specific refractory metals and alloys have been defined; (3) demonstration that useful alloys of refractory and platinum coatings can be made through thermal diffusion means; (4) demonstration that selected barrier coatings on refractory substrates can withstand severe oxidizing environments in the range of 1260 deg and 1760 deg C for long time periods essential to the life requirements of the hardware; and (5) successful application of the processes and procedures to prototype hardware. The results of these studies have been instrumental in improved thermal oxidation barrier coatings for the NASP propulsion system. Other Phase 3 applications currently being exploited include small uncooled thrusters for spacecraft and microsatellite maneuvering systems.

Malone, G. A.↗

N-Type delta Doping of High-Purity Silicon Imaging Arrays

A process for n-type (electron-donor) delta doping has shown promise as a means of modifying back-illuminated image detectors made from n-doped high-purity silicon to enable them to detect high-energy photons (ultraviolet and x-rays) and low-energy charged particles (electrons and ions). This process is applicable to imaging detectors of several types, including charge-coupled devices, hybrid devices, and complementary metal oxide/semiconductor detector arrays. Delta doping is so named because its density-vs.-depth characteristic is reminiscent of the Dirac delta function (impulse function): the dopant is highly concentrated in a very thin layer. Preferably, the dopant is concentrated in one or at most two atomic layers in a crystal plane and, therefore, delta doping is also known as atomic-plane doping. The use of doping to enable detection of high-energy photons and low-energy particles was reported in several prior NASA Tech Briefs articles. As described in more detail in those articles, the main benefit afforded by delta doping of a back-illuminated silicon detector is to eliminate a "dead" layer at the back surface of the silicon wherein high-energy photons and low-energy particles are absorbed without detection. An additional benefit is that the delta-doped layer can serve as a back-side electrical contact. Delta doping of p-type silicon detectors is well established. The development of the present process addresses concerns specific to the delta doping of high-purity silicon detectors, which are typically n-type. The present process involves relatively low temperatures, is fully compatible with other processes used to fabricate the detectors, and does not entail interruption of those processes. Indeed, this process can be the last stage in the fabrication of an imaging detector that has, in all other respects, already been fully processed, including metallized. This process includes molecular-beam epitaxy (MBE) for deposition of three layers, including metallization. The success of the process depends on accurate temperature control, surface treatment, growth of high-quality crystalline silicon, and precise control of thicknesses of layers. MBE affords the necessary nanometer- scale control of the placement of atoms for delta doping. More specifically, the process consists of MBE deposition of a thin silicon buffer layer, the n-type delta doping layer, and a thin silicon cap layer. The n dopant selected for initial experiments was antimony, but other n dopants as (phosphorus or arsenic) could be used. All n-type dopants in silicon tend to surface-segregate during growth, leading to a broadened dopant-concentration- versus-depth profile. In order to keep the profile as narrow as possible, the substrate temperature is held below 300 C during deposition of the silicon cap layer onto the antimony delta layer. The deposition of silicon includes a silicon- surface-preparation step, involving H-termination, that enables the growth of high-quality crystalline silicon at the relatively low temperature with close to full electrical activation of donors in the surface layer.

Blacksberg, Jordana↗

Phonon confinement and interface lattice dynamics of ultrathin high- k rare earth sesquioxide films: the case of Eu 2 O 3 on YSZ(001)

The spatial confinement of atoms at surfaces and interfaces significantly alters the lattice dynamics of thin films, heterostructures and multilayers. Ultrathin films with high dielectric constants (high-k) are of paramount interest for applications as gate layers in current and future integrated circuits. Here we report a lattice dynamics study of high-k Eu 2 O 3 films with thicknesses of 21.3, 2.2, 1.3, and 0.8 nm deposited on YSZ(001). The Eu-partial phonon density of states (PDOS), obtained from nuclear inelastic scattering, exhibits broadening of the phonon peaks accompanied by up to a four-fold enhancement of the number of low-energy states compared to the ab initio calculated PDOS of a perfect Eu 2 O 3 crystal. Our analysis demonstrates that while the former effect reflects the reduced phonon lifetimes observed in thin films due to scattering from lattice defects, the latter phenomenon arises from an ultrathin EuO layer formed between the thin Eu 2 O 3 film and the YSZ(001) substrate. Thus, our work uncovers another potential source of vibrational anomalies in thin films and multilayers, which has to be cautiously considered.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Monte Carlo simulation of energy deposition by low-energy electrons in molecular hydrogen

A set of detailed atomic cross sections has been used to obtain the spatial deposition of energy by 1-20-eV electrons in molecular hydrogen by a Monte Carlo simulation of the actual trajectories. The energy deposition curve (energy per distance traversed) is quite peaked in the forward direction about the entry point for electrons with energies above the threshold of the electronic states, but the peak decreases and broadens noticeably as the electron energy decreases below 10 eV (threshold for the lowest excitable electronic state of H2). The curve also assumes a very symmetrical shape for energies below 10 eV, indicating the increasing importance of elastic collisions in determining the shape of the curve, although not the mode of energy deposition.

Heaps, M. G.↗

Baking and plasma pretreatment of sapphire surfaces as a way to facilitate the epitaxial plasma-enhanced atomic layer deposition of GaN thin films

The growth of high-quality epitaxial gallium nitride (GaN) thin films is achieved by using a baking and plasma pretreatment of the substrate prior to the GaN plasma-enhanced atomic layer deposition (PE-ALD). In this work, it is found that such pretreatment makes the GaN films grow coherently on sapphire substrates, following a layer-by-layer growth mechanism. The deposited GaN film shows high crystalline quality, a sharp GaN/sapphire interface, and a flat surface. The possibility of growing high-quality GaN epilayers in this way broadens the range of applications for PE-ALD in GaN-based devices.

36 MATERIALS SCIENCE↗

Arbitrary Low-Dimensional Film Transfer Enabled by GeO 2 Release Layer

Low-dimensional materials show great promise for enhanced computing and sensing performance in mission-relevant environments. However, integrating low-dimensional materials into conventional electronics remains a challenge. Here, we demonstrate a novel transfer method by which low-dimensional materials and their heterostructures can be transferred onto any arbitrary substrate. Our method relies on a water soluble GeO 2 substrate from which lowdimensional materials are transferred without significant perturbation. We apply the method to transfer a working electronic device based on a low-dimensional material. Process developments are achieved to enable the fabrication and transfer of a working electronic device, including the growth of high-k dielectric on GeO 2 by atomic layer deposition and inserting an indium diffusion barrier into the device gate stack. This work supports Sandia’s heterogeneous integration strategy to broaden the implementation of low-dimensional films and their devices.

36 MATERIALS SCIENCE↗

Verifying raytracing/Fokker–Planck lower-hybrid current drive predictions with self-consistent full-wave/Fokker–Planck simulations

Raytracing/Fokker–Planck (FP) simulations used to model lower-hybrid current drive (LHCD) often fail to reproduce experimental results, particularly when LHCD is weakly damped. A proposed reason for this discrepancy is the lack of ‘full-wave’ effects, such as diffraction and interference, in raytracing simulations and the breakdown of the raytracing approximation. Previous studies of LHCD using non-Maxwellian full-wave/FP simulations have been performed, but these simulations were not self-consistent and enforced power conservation between the FP and full-wave code using a numerical rescaling factor. Here, we have created a fully self-consistent full-wave/FP model for LHCD that is automatically power conserving. This was accomplished by coupling an overhauled version of the non-Maxwellian TORLH full-wave solver and the CQL3D FP code using the Integrated Plasma Simulator. We performed converged full-wave/FP simulations of Alcator C-Mod discharges and compared them with raytracing. We found that excellent agreement in the power deposition profiles from raytracing and TORLH could be obtained, however, TORLH had somewhat lower current drive efficiency and broader power deposition profiles in some cases. This discrepancy appears to be a result of numerical limitations present in the TORLH model and a small amount of diffractional broadening of the TORLH wave spectrum. Our results suggest full-wave simulation of LHCD is likely not necessary as diffraction and interference represented only a small correction that could not account for the differences between simulations and experiment.

Physics↗

Point and extended defects in heteroepitaxial 𝛽−G⁡a 2 ⁢O 3 films

G⁡a 2 ⁢O 3 is emerging as an excellent potential semiconductor for high power and optoelectronic devices. However, the successful development of G⁡a 2⁢ O 3 in a wide range of applications requires a full understanding of the role and nature of its point and extended defects. Here, in this work, high quality epitaxial G⁡a 2 ⁢O 3 films were grown on sapphire substrates by metal-organic chemical vapor deposition and fully characterized in terms of structural, optical, and electrical properties. Then defects in the films were investigated by a combination of depth-resolved Doppler broadening and lifetime of positron annihilation spectroscopies and thermally stimulated emission (TSE). Positron annihilation techniques can provide information about the nature and concentration of defects in the films, while TSE reveals the energy level of defects in the bandgap. Despite very good structural properties, the films exhibit short positron diffusion length, which is an indication of high defect density and long positron lifetime, a sign for the formation of Ga vacancy related defects and large vacancy clusters. These defects act as deep and shallow traps for charge carriers as revealed from TSE, which explains the reason behind the difficulty of developing conductive G⁡a 2 ⁢O 3 films on non-native substrates. Positron lifetime measurements also show nonuniform distribution of vacancy clusters throughout the film depth. Further, the work investigates the modification of defect nature and properties through thermal treatment in various environments. It demonstrates the sensitivity of G⁡a 2 ⁢O 3 microstructures to the growth and thermal treatment environments and the significant effect of modifying defect structure on the bandgap and optical and electrical properties of G⁡a 2 ⁢O 3 .

defects↗

Enhanced Electron Correlation and Significantly Suppressed Thermal Conductivity in Dirac Nodal-Line Metal Nanowires by Chemical Doping

Enhancing electron correlation in a weakly interacting topological system has great potential to promote correlated topological states of matter with extraordinary quantum properties. Here, the enhancement of electron correlation in a prototypical topological metal, namely iridium dioxide (IrO 2 ), via doping with 3d transition metal vanadium is demonstrated. Single-crystalline vanadium-doped IrO 2 nanowires are synthesized through chemical vapor deposition where the nanowire yield and morphology are improved by creating rough surfaces on substrates. Vanadium doping leads to a dramatic decrease in Raman intensity without notable peak broadening, signifying the enhancement of electron correlation. The enhanced electron correlation is further evidenced by transport studies where the electrical resistivity is greatly increased and follows an unusual $\sqrt{T}$ dependence on the temperature (T). The lattice thermal conductivity is suppressed by an order of magnitude via doping even at room temperature where phonon-impurity scattering becomes less important. Density functional theory calculations suggest that the remarkable reduction of thermal conductivity arises from the complex phonon dispersion and reduced energy gap between phonon branches, which greatly enhances phase space for phonon–phonon Umklapp scattering. This work demonstrates a unique system combining 3d and 5d transition metals in isostructural materials to enrich the system with various types of interactions.

36 MATERIALS SCIENCE↗

Microscopic examination of rf-cavity-quality niobium films through local nonlinear microwave response

The performance of superconducting radio-frequency (SRF) cavities is sometimes limited by local defects. To investigate the rf properties of these local defects, especially those that nucleate rf magnetic vortices, a near-field magnetic microwave microscope is employed. Local third-harmonic response ( P 3 f ) and its temperature dependence and rf power dependence are measured for one Nb / Cu film grown by direct current magnetron sputtering (DCMS) and six Nb / Cu films grown by high-power impulse magnetron sputtering (HiPIMS) with systematic variation of deposition conditions. Five out of the six HiPIMS Nb / Cu films show a strong third-harmonic response that is likely coming from rf vortex nucleation due to a low- T c surface defect with a transition temperature between 6.3 and 6.8 K, suggesting that this defect is a generic feature of air-exposed HiPIMS Nb / Cu films. A phenomenological model of surface-defect grain boundaries hosting a low- T c impurity phase is introduced and studied with time-dependent Ginzburg-Landau (TDGL) simulations of probe-sample interaction to better understand the measured third-harmonic response. The simulation results show that the third-harmonic response of rf vortex nucleation caused by surface defects exhibits the same general features as the data, including peaks in third-harmonic response with temperature, and their shift and broadening with higher microwave amplitude. We find that the parameters of the phenomenological model (the density of surface defects that nucleate rf vortices and the depth an rf vortex travels through these surface defects) vary systematically with film deposition conditions. From the point of view of these two properties, the Nb / Cu film that is most effective at reducing the nucleation of rf vortices associated with surface defects can be identified. Published by the American Physical Society 2024

Wang, Chung-Yang (ORCID:0000000184299633)↗

One Pot Synthesis of Cyan Emitting CdZnSSe Quantum Dots for Human Centric Lighting

A one pot synthesis of blue and green emissive CdZnSSe quantum dots (QDs) from thio- and selenoureas and Cd and Zn carboxylates is optimized using high throughput robotic optimization. A large set of spectral data (N = 192) is used to train machine learning models that accurately predict the photoluminescence emission wavelength (λmax) and full-width half-maximum, and the relative photoluminescence quantum yield (PLQY) from the S:Se and Zn:Cd stoichiometries and reaction time. ZnS shells are deposited on the crude QD heterostructures using 4-tert-butylbenzyl mercaptan, a more reactive source of sulfide that enables shell growth below the temperature where ion diffusion in the QD can broaden its optical spectrum (≤275 °C). These optimized procedures provide gram quantities of blue-green emitting QDs (PLQY = 85–99%) in a single reaction vessel. A solid state lighting device (4260 K) that incorporates cyan emissive QDs achieved a higher luminous efficacy of 179 lm/W and melanopic daylight efficiency ratio (0.71) than existing commercial human centric lighting devices.

Jordan, Abraham J↗

Characteristics and combustion of future hydrocarbon fuels

As the world supply of petroleum crude oil is being depleted, the supply of high-quality crude oil is also dwindling. This dwindling supply is beginning to manifest itself in the form of crude oils containing higher percentages of aromatic compounds, sulphur, nitrogen, and trace constituents. The result of this trend is described and the change in important crude oil characteristics, as related to aircraft fuels, is discussed. As available petroleum is further depleted, the use of synthetic crude oils (those derived from coal and oil shale) may be required. The principal properties of these syncrudes and the fuels that can be derived from them are described. In addition to the changes in the supply of crude oil, increasing competition for middle-distillate fuels may require that specifications be broadened in future fuels. The impact that the resultant potential changes in fuel properties may have on combustion and thermal stability characteristics is illustrated and discussed in terms of ignition, soot formation, carbon deposition flame radiation, and emissions.

Rudey, R. A.↗

Grid-Assisted Direct-Current Magnetron Sputtering of Titanium: Plasma Discharge Diagnostics

Grid-assisted magnetron sputtering is attractive for the deposition of ultrathick Be coatings in inertial confinement fusion (ICF) applications because it offers improved control over the plasma. Here, we investigate the plasma discharge characteristics of grid-assisted direct current magnetron sputtering with Ti as a surrogate sputter target material instead of Be. We map the magnetic field of our magnetron source assembly, study the current-voltage characteristics of both the source and the substrate, and measure the energy distributions of ions bombarding the film surface during growth. The results reveal a slightly asymmetric magnetic field of the magnetron source array and strong dependencies of the plasma discharge characteristics on both the grid and the substrate voltages. Positive grid voltage increases both target and substrate currents, increases the plasma potential, and broadens the energy distributions of ions bombarding the substrate. Grid biasing effects on the plasma discharge characteristics and substrate current can be attributed to corresponding changes to the plasma potential, while substrate biasing effects are more complex and nonlinear. Furthermore, these results demonstrate that grid-assisted deposition offers additional flexibility in controlling the deposition process for tuning properties of ultrathick films for ICF applications.

ICF targets↗

Ultrathin high- κ antimony oxide single crystals

Ultrathin oxides have been reported to possess excellent properties in electronic, magnetic, optical, and catalytic fields. However, the current and primary approaches toward the preparation of ultrathin oxides are only applicable to amorphous or polycrystalline oxide nanosheets or films. Here, we successfully synthesize high-quality ultrathin antimony oxide single crystals via a substrate-buffer-controlled chemical vapor deposition strategy. The as-obtained ultrathin antimony oxide single crystals exhibit high dielectric constant (~100) and large breakdown voltage (~5.7 GVm -1 ). Such a strategy can also be utilized to fabricate other ultrathin oxides, opening up an avenue in broadening the applicaitons of ultrathin oxides in many emerging fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhanced magnetocaloric performance in manganite bilayers

Bilayer films of La 0.8 Sr 0.2 MnO 3 and La 0.7 Ca 0.3 MnO 3 with different layer thicknesses and stacking sequences were synthesized via pulsed laser deposition. The magnetic properties and magnetocaloric effects were systematically investigated. We found that the phase transition associated with the layers tends to merge together at an optimal thickness and a stacking sequence. The operating temperature span of the entropy change broadens at the expense of its magnitude, leading to an enhancement of the refrigerant capacity by over 40%. The optimized bilayer film possesses a refrigerant capacity of ~6.0J/kg, compared to a value of ~4.2J/kg for the single-phase films. The phase transition broadening induced by epitaxial strain is responsible for the enhanced window of operating temperature as well as refrigerant capacity. Finally, the design principle developed here may be applied to ferroelastic and ferroelectric materials to enhance elastocaloric and electrocaloric effects.

36 MATERIALS SCIENCE↗