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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Plasma-enhanced atomic layer deposition of silicon dioxide films using plasma-activated triisopropylsilane as a precursor

The plasma-enhanced atomic layer deposition (PEALD) process was developed as a growth technique of SiO{sub 2} thin films using a plasma-activated triisopropylsilane [TIPS, ((iPr){sub 3}SiH)] precursor. TIPS was activated by an argon plasma at the precursor injection stage of the process. Using the activated TIPS, it was possible to control the growth rate per cycle of the deposited films by adjusting the plasma ignition time. The PEALD technique allowed deposition of SiO{sub 2} films at temperatures as low as 50 °C without carbon impurities. In addition, films obtained with plasma ignition times of 3 s and 10 s had similar values of root-mean-square surface roughness. In order to evaluate the suitability of TIPS as a precursor for low-temperature deposition of SiO{sub 2} films, the vapor pressure of TIPS was measured. The thermal stability and the reactivity of the gas-phase TIPS with respect to water vapor were also investigated by analyzing the intensity changes of the C–H and Si–H peaks in the Fourier-transform infrared spectrum of TIPS.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Low-temperature atomic layer deposition of TiO{sub 2} thin layers for the processing of memristive devices

Atomic layer deposition (ALD) represents one of the most fundamental techniques capable of satisfying the strict technological requirements imposed by the rapidly evolving electronic components industry. The actual scaling trend is rapidly leading to the fabrication of nanoscaled devices able to overcome limits of the present microelectronic technology, of which the memristor is one of the principal candidates. Since their development in 2008, TiO{sub 2} thin film memristors have been identified as the future technology for resistive random access memories because of their numerous advantages in producing dense, low power-consuming, three-dimensional memory stacks. The typical features of ALD, such as self-limiting and conformal deposition without line-of-sight requirements, are strong assets for fabricating these nanosized devices. This work focuses on the realization of memristors based on low-temperature ALD TiO{sub 2} thin films. In this process, the oxide layer was directly grown on a polymeric photoresist, thus simplifying the fabrication procedure with a direct liftoff patterning instead of a complex dry etching process. The TiO{sub 2} thin films deposited in a temperature range of 120–230 °C were characterized via Raman spectroscopy and x-ray photoelectron spectroscopy, and electrical current–voltage measurements taken in voltage sweep mode were employed to confirm the existence of resistive switching behaviors typical of memristors. These measurements showed that these low-temperature devices exhibit an ON/OFF ratio comparable to that of a high-temperature memristor, thus exhibiting similar performances with respect to memory applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Method to create cuprate tunnel junctions with atomically sharp interfaces

In this work, we present a method for producing tunnel junctions from cuprate thin films grown by atomic layer-by-layer molecular beam epitaxy (ALL-MBE). Our approach utilizes microfabrication processing and relies on the atomically precise interfaces provided by the ALL-MBE synthesis technique. The method is suitable for a wide range of junction dimensions and materials and allows for more complex designs such as superconducting quantum interference devices and junction arrays. Fully superconducting electrodes ensure that the contact resistances in the devices created by this method remain very low.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Inhibition of atomic layer deposition of TiO 2 by functionalizing silicon surface with 4-fluorophenylboronic acid

As the size of the components in electronic devices decreases, new approaches and chemical modification schemes are needed to produce nanometer-size features with bottom-up manufacturing. Organic monolayers can be used as effective resists to block the growth of materials on non-growth substrates in area-selective deposition methods. However, choosing the appropriate surface modification requires knowledge of the corresponding chemistry and also a detailed investigation of the behavior of the functionalized surface in realistic deposition schemes. This study aims to investigate the chemistry of boronic acids that can be used to prepare such non-growth areas on elemental semiconductors. 4-Fluorophenylboronic acid is used as a model to investigate the possibility to utilize the Si(100) surface functionalized with this compound as a non-growth substrate in a titanium dioxide (TiO 2 ) deposition scheme based on sequential doses of tetrakis(dimethylamido)titanium and water. Here, a combination of X-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectrometry allows for a better understanding of the process. The resulting surface is shown to be an effective non-growth area to TiO 2 deposition when compared to currently used H-terminated silicon surfaces but to exhibit much higher stability in ambient conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Development of a deep potential model for F and CF 2 etching of Si and SiO 2

An understanding of plasma-surface interactions at increasingly smaller scales is invaluable for the development of novel technologies and processing techniques. Molecular dynamics (MD) simulations can provide insights into atomic-scale interactions, though they are restricted by the availability of interatomic potentials. Machine learning methods, such as Deep Potential Molecular Dynamics (DeepMD), provide a systematic framework for the development of accurate and flexible ab initio-based models. In this work, we develop DeepMD models for the ion-enhanced etching of Si and SiO 2 by F and CF 2 radicals. We employ an active learning process to expand the data set on which the model is trained and demonstrate its effect on the model accuracy. The DeepMD results are compared to data from classical MD simulations and experiments. Physical sputtering yields of SiO 2 by Ar + ions show good agreement with previous simulation results using conventional interatomic potentials, though the predicted depth profiles are different. Etching yields are calculated as a function of ion energy and neutral to ion flux ratio for the Ar + ion-enhanced etching of SiO 2 and Si by F atoms, as well as for etching of SiO 2 by CF 2 radicals, showing reasonable agreement with experimental data. Finally, an ion-enhanced surface kinetic model is fitted to the DeepMD etch yields, and the fitted parameters are compared to quantities computed directly from DeepMD simulations. This study illustrates how molecular dynamics simulations using machine learning potentials can provide an accurate model of etching processes relevant to device manufacturing.

Kounis-Melas, Andreas [Princeton Univ., NJ (United↗
DOE OSTI2016

Two-dimensional fluorescence spectroscopy of laser-produced plasmas

We use a two-dimensional laser-induced fluorescence spectroscopy technique to measure the coupled absorption and emission properties of atomic species in plasmas produced via laser ablation of solid aluminum targets at atmospheric pressure. Emission spectra from the Al I 394.4 nm and Al I 396.15 nm transitions are measured while a frequency-doubled, continuous-wave, Ti:Sapphire laser is tuned across the Al I 396.15 nm transition. The resulting two-dimensional spectra show the energy coupling between the two transitions via increased emission intensity for both transitions during resonant absorption of the continuous-wave laser at one transition. Time-delayed and gated detection of the emission spectrum is used to isolate the resonantly-excited fluorescence emission from the thermally-excited emission from the plasma. In addition, the tunable continuous-wave laser measures the absorption spectrum of the Al transition with ultra-high resolution after the plasma has cooled, resulting in narrower spectral linewidths than observed in emission spectra. Our results highlight that fluorescence spectroscopy employing continuous-wave laser re-excitation after pulsed laser ablation combines benefits of both traditional emission and absorption spectroscopic methods.

Harilal, Sivanandan S.↗
DOE OSTI2013

Particle Simulation of High-Intensity X-Ray Laser Interaction

This Feasibility Study Project began with two goals: 1.) Develop the techniques needed to combine molecular dynamics (MD) particle simulation with atomic kinetics described by a "Collisional-Radiative" (CR) model. Investigate the computational requirements and possible physics improvements to the calculation, especially quantum corrections. The feasibility question is: "Can we do the calculation and will it run fast enough to be useful?" 2.) Test the calculations against X-ray Free-electron Laser interaction experiments on solid Fe targets performed by Prof. H. Yoneda et al. at the SACLA XFEL facility in the SPring-8 laboratory in Harima, Japan.

42 ENGINEERING↗
DOE OSTI2025

Ultra-Low Disorder Graphene Quantum Dot-Based Spin Qubits for Cyber Secure Fossil Energy Infrastructure (Final Technical Report)

The overarching goal of the proposed project is to demonstrate the feasibility of creating ultralow local disorder graphene quantum dots (GQDs)-based high-speed, high-fidelity spin quantum bits (qubits) for extremely cyber-secure coal energy plants of the future. Despite their inherent benefits, the coherence times in the state-of-the-art GQD qubits are still low primarily due to the local disorder in GQD devices generated during lithographic fabrication of GQDs. Hence, the focus of this research is to prepare ultralow disorder GQDs (e.g., edge roughness ~0.5nm) and evaluate the low temperature (~mK) charge/spin transport characteristics of the engineered GQD qubit platform. To achieve minimal disorder in GQD qubits, we employ a novel approach that combines nanotomy (novel GQD fabrication technique developed by the PI) and scanning probe microscopy-atomic oxidation lithography (SPM-AOL).

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

A Method to Probe the Interfaces in La2−xSrxCuO4-LaSrAlO4-La2−xSrxCuO4 Trilayer Junctions

C-axis trilayer cuprate Josephson junctions are essential for basic science and digital circuit applications of high-temperature superconductors. We present a method for probing the interface perfection in La2−xSrxCuO4 (LSCO)-LaSrAlO4 (LSAO)-La2−xSrxCuO4 trilayer junctions. A series of LSCO-LSAO superlattices with atomically smooth surfaces and sharp interfaces were grown by the atomic-layer-by-layer molecular beam epitaxy (ALL-MBE) technique. We have systematically varied the thickness of LSCO and LSAO layers with monolayer precision. By studying the mutual inductance and electrical transport in these superlattices, we detect the non-superconducting (“dead”) layers at the interfaces and quantify their thicknesses. Our results indicate that two optimally doped LSCO monolayers just above and below the one monolayer LSAO barrier are no longer superconducting, rendering the actual barrier thickness of five monolayers. Next, we have shown that introducing a protective highly-overdoped LSCO layer reduces the thickness of dead layers by one or two monolayers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

The Quest for High-Temperature Superconductivity in Nickelates under Ambient Pressure

Recently, superconductivity with Tc ≈ 80 K was discovered in La3Ni2O7 under extreme hydrostatic pressure (>14 GPa). For practical applications, we needed to stabilize this state at ambient pressure. It was proposed that this could be accomplished by substituting La with Ba. To put this hypothesis to the test, we used the state-of-the-art atomic-layer-by-layer molecular beam epitaxy (ALL-MBE) technique to synthesize (La1−xBax)3Ni2O7 films, varying x and the distribution of La (lanthanum) and Ba (barium). Regrettably, none of the compositions we explored could be stabilized epitaxially; the targeted compounds decomposed immediately into a mixture of other phases. So, this path to high-temperature superconductivity in nickelates at ambient pressure does not seem promising.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Exploiting correlations in multi-coincidence Coulomb explosion patterns for differentiating molecular structures using machine learning

Coulomb explosion imaging (CEI) is a powerful technique for capturing the real-time motion of individual atoms during ultrafast photochemical reactions. CEI generates high-dimensional data with naturally embedded correlations that allow mapping the coordinated motion of nuclei in molecules. This enables reliable separation of competing reaction pathways and makes this approach uniquely suited for characterizing weak reaction channels. However, rich information contained in experimental CEI patterns remains largely underexploited due to challenges in visualizing correlations between multiple observables in multi-dimensional parameter space. Here we present a new approach to CEI of intermediate-sized polyatomic molecules, detecting up to eight ionic fragments in coincidence and leveraging machine-learning-based analysis to identify patterns and correlations in the resulting high-dimensional momentum-space data, enabling robust molecular structure identification and differentiation. Our approach provides high-dimensional background-free data encoding exceptionally rich structural information and establishes an automated, scalable framework for extracting insightful information from the data. As a demonstration, we apply this method to image and distinguish dichloroethylene isomers, showcasing its potential for broader applications in molecular imaging. Our results pave the way for channel-specific analysis of ultrafast structural dynamics in chemically relevant systems, particularly for disentangling mixed reaction pathways and detecting contributions from weak channels and minority species.

Chemical Physics (physics.chem-ph)↗
NASA NTRS1973

Neutral beam dose and sputtering characteristics in an ion implantation system

A technique and instrument design for calorimetric detection of the neutral atom content of a 60 keV argon ion beam. A beam sampling method is used to measure local heat flux to a small platinum wire at steady state; integration of power density profiles leads to a determination of equivalent neutral beam current. The fast neutral production occurs as a result of charge transfer processes in the region of the beam system between analyzing magnet and beam stop where the pressure remains less than .00001 torr. A description of the neutral beam detector is given in section along with a presentation of results. An elementary analysis of sputter material transport from target to substrate was performed; the analysis relates to semiconductor sputtering.

Roberts, A. S., Jr.↗
NASA NTRS1972

Gravitational-wave astronomy.

Discussion of the nature and origin of gravitational waves in the light of current theories and data, stating the concept of gravitational waves as a field of relative gravitational forces that propagate with the speed of light. The topics include the generation of gravitational waves, their astrophysical sources, pulsars, supernovae, the birth of neutron stars, explosions in quasars and nuclei of galaxies, and atomic and molecular processes. Also considered are gravitational wave reception techniques, covering free-mass antennas, nonmechanical displacement sensors, almost free antennas, mechanical displacement sensors, acoustic systems, resonant antennas, Weber's detectors, and natural antennas. Future developments in gravitational wave astronomy are considered.

Press, W. H.↗
NASA NTRS1974

Interstellar lines in the ultraviolet spectrum of delta Scorpii

Results of a study of the interstellar resonance lines of the cosmologically most abundant elements with the aid of a spectrograph sensitive in the range from 1150 to 1700 A. These lines were analyzed by curve-of-growth techniques to yield column densities from which abundances relative to atomic hydrogen were determined. With the exception of silicon, the relative abundances of the detected species for which column densities could be determined are less by a factor of 1.8 to 8.6 than the relative solar abundances. Silicon, on the other hand, is slightly overabundant by a factor of 1.6.

Smith, A. M.↗
NASA NTRS1977

The use of analytical surface tools in the fundamental study of wear

Various techniques and surface tools available for the study of the atomic nature of the wear of materials are reviewed These include chemical etching, x-ray diffraction, electron diffraction, scanning electron microscopy, low-energy electron diffraction, Auger emission spectroscopy analysis, electron spectroscopy for chemical analysis, field ion microscopy, and the atom probe. Properties of the surface and wear surface regions which affect wear, such as surface energy, crystal structure, crystallographic orientation, mode of dislocation behavior, and cohesive binding, are discussed. A number of mechanisms involved in the generation of wear particles are identified with the aid of the aforementioned tools.

Buckley, D. H.↗
NASA NTRS1977

The use of analytical surface tools in the fundamental study of wear

This paper reviews the various techniques and surface tools available for the study of the atomic nature of the wear of materials. These include chemical etching, X-ray diffraction, electron diffraction, scanning electron microscopy, low-energy electron diffraction, Auger emission spectroscopy analysis, electron spectroscopy for chemical analysis, field ion microscopy, and the atom probe. Properties of the surface and wear surface regions which effect wear such as surface energy, crystal structure, crystallographic orientation, mode of dislocation behavior, and cohesive binding are discussed. A number of mechanisms involved in the generation of wear particles are identified with the aid of the aforementioned tools.

Buckley, D. H.↗
NASA NTRS1979

Diffusion and phase change characterization by mass spectrometry

The high temperature diffusion of trace elements in metals and alloys was investigated. Measurements were made by high sensitivity mass spectrometry in which individual atoms were detected, and quantitative data was obtained for zircaloy-2, 304 stainless steel, and tantalum. Additionally, a mass spectrometer was also an analytical tool for determining an allotropic phase change for stainless steel at 955 C, and a phase transition region between 772 C and 1072 C existing for zircaloy-2. Diffusion rates were measured in thin (0.001" (0.0025 cm) and 0.0005" (0.0013 cm)) ribbons which were designed as high temperature thermal ion sources, with the alkali metals as naturally occurring impurities. In the temperature and pressure regime where diffusion measurements were made, the solute atoms evaporated from the ribbon filaments when the impurities diffused to the surface, with a fraction of these impurity atoms ionized according to the Langmuir-Saha relation. The techniques developed can be applied to many other alloys important to space vehicles and supersonic transports; and, with appropriate modifications, to the diffusion of impurities in composites.

Koslin, M. E.↗
NASA NTRS1981

Effect of fuel injector type on performance and emissions of reverse-flow combustor

The combustion process in a reverse-flow combustor suitable for a small gas turbine engine was investigated to evaluate the effect of fuel injector type on performance and emissions. Fuel injector configurations using pressure-atomizing, spill-flow, air blast, and air-assist techniques were compared and evaluated on the basis of performance obtained in a full-scale experimental combustor operated at inlet conditions corresponding to takeoff, cruise, low power, and idle and typical of a 16:1-pressure-ratio turbine engine. Major differences in combustor performance and emissions characteristics were experienced with each injector type even though the aerodynamic configuration was common to most combustor models. Performance characteristics obtained with the various fuel injector types could not have been predicted from bench-test injector spray characteristics. The effect of the number of operating fuel injectors on performance and emissions is also presented.

Norgren, C. T.↗