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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 OSTI2020

Giant defect emission enhancement from ZnO nanowires through desulfurization process

Zinc oxide (ZnO) is a stable, direct bandgap semiconductor emitting in the UV with a multitude of technical applications. It is well known that ZnO emission can be shifted into the green for visible light applications through the introduction of defects. However, generating consistent and efficient green emission through this process is challenging, particularly given that the chemical or atomic origin of the green emission in ZnO is still under debate. In this work we present a new method, for which we coin term desulfurization, for creating green emitting ZnO with significantly enhanced quantum efficiency. Solution grown ZnO nanowires are partially converted to ZnS, then desulfurized back to ZnO, resulting in a highly controlled concentration of oxygen defects as determined by X-ray photoelectron spectroscopy and electron paramagnetic resonance. Using this controlled placement of oxygen vacancies we observe a greater than 40-fold enhancement of integrated emission intensity and explore the nature of this enhancement through low temperature photoluminescence experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2026

pyRMG: A framework for high-throughput, large-cell DFT calculations on supercomputers

Exascale computing delivers the raw power to simulate ever larger and more chemically realistic systems, but realizing this potential requires codes that can efficiently use thousands of processors. Our real-space multigrid (RMG) density functional theory (DFT) code’s grid-decomposition approach scales nearly linearly with the number of graphics processing units (GPUs), even for simulations exceeding thousands of atoms. This scalability makes RMG a compelling tool for high-throughput DFT studies of materials that would otherwise be bottlenecked in other codes (for example, by global fast Fourier transforms in plane-wave DFT). However, the limited workflow infrastructure for RMG has thus far constrained its adoption to a small user community. In this work, we present pyRMG, a Python package designed to streamline the setup and execution of RMG DFT calculations. Built on the pymatgen and ASE (Atomic Simulation Environment) computational materials science Python packages, pyRMG automates input generation and convergence checking, and it integrates with modern job schedulers (e.g., Flux) on leadership-class platforms such as Frontier and Perlmutter. Here, we demonstrate pyRMG for a high-throughput study of strain effects in 2D 2L-Bi 2 Se 3 /2L-NbSe 2 heterostructures, which offers chemical insights into this system and shows that RMG-based workflows can converge with limited user intervention.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The effect of longer-range waviness on X-ray reflectivity measurements

A model for calculating the X-ray reflectivity (XRR) of surfaces to extract both roughness and waviness features is presented. Expressions of reflectivity intensity are derived as a function of root-mean-square (RMS) roughness σ, RMS waviness σ L , and the cut-off frequency between the features ω 0 . Experiments were conducted at the Advanced Light Source at Lawrence Berkeley National Laboratory, beamline 8.3.2, on BK7 glass manufactured with a multi-step polishing process to validate the model, and were compared with atomic force microscopy (AFM), Fizeau interferometry and surface profilometry measurements. Here, the parameter results and their deviations for XRR measurements were σ = 2.9 ± 0.2 nm and σ L = 14.6 ± 0.5 nm with a wavelength cut-off of 1/(18 ± 2) µm –1 , while the results from the AFM, Fizeau and profilometry measurements were σ AFM = 3.4 ± 0.4 nm, σ L,Fizeau = 21.6 nm, σ prof = 4.0 ± 0.1 nm, and σ L,prof = 21.4 ± 0.1 nm with cut-offs for the profilometry and Fizeau measurements limited to frequencies of (1/16) µm –1 to (1/4) mm –1 .

42 ENGINEERING↗
DOE OSTI2022

The influence of intake flow and coolant temperature on gasoline spray morphology during early-injection DISI engine operation

Multi-hole gasoline injectors operating at conditions spanning throttled early-intake stroke operation produce spray plumes that either remained separated or merge and collapse due to flash boiling. Flash boiling occurs due to the sudden expansion of gas bubbles in the liquid fuel at high fuel temperature and low ambient pressure. This study records high-speed images of spray-morphology changes due to in-cylinder flow, thereby revealing operating conditions that do and do not affect the self-induced morphology observed in quiescent vessels. Specifically, in a central-injection, four-valve, high-tumble engine, where the thermodynamic state and in-cylinder cross flow are dynamic. Motivated by cold start and hot restart operation, the fuel pressure, coolant temperature, in-cylinder air pressure, and engine rpm were systematically varied over relevant operating conditions, which bracketed the range from non- to flash-boiling sprays. The results reveal the operating conditions at which the in-cylinder cross flow disrupts the spray morphology as well as the extent of the disruption. At 650 rpm, the spray morphology was similar to that observed in quiescent vessels at nominally equivalent fuel temperature and in-cylinder pressure, indicating that the spray’s self-induced entrainment flow dominated the in-cylinder flow. However, for fuel temperature and ambient pressure near the transition between non- and flash-boiling, the intake cross flow at higher engine speed (1950 rpm) significantly disrupted the spray morphology. The high cross-flow velocity appears to induce plume merging and collapse, whereas none was evident at low rpm (650 rpm). This study led to the postulate that the spray merging and collapse are governed by the rate of atomization near the nozzle exit, presumed to be controlled by either or both aerodynamic atomization and flash-boiling intensity. It would then follow that spray modeling in CFD requires atomization models that blend the effects of both physical processes.

42 ENGINEERING↗
DOE OSTI2018

Workshop to Identify Opportunities in Biological and Environmental Research Uniquely Enabled by the APS Upgrade

The development of synchrotron-based x-ray science has enabled tremendous scientific advances, driven both by discoveries of new fundamental ways to derive insight from the interaction of x-rays with matter and by the evolution of x-ray light sources themselves. Over the last 20-plus years, the U.S. Department of Energy’s (DOE’s) Advanced Photon Source (APS) at Argonne has yielded a multitude of transformational insights into science questions across numerous areas relevant to the biological, geological, geochemical, biogeochemical, and environmental sciences. Recent developments in accelerator technology, particularly the multi-bend achromat lattice, have led to plans to dramatically upgrade the APS, allowing an upgraded APS to offer orders-of-magnitude improvements in key parameters such as coherence and brightness, while retaining high-energy capabilities. These enhanced parameters are directly relevant to almost all hard x-ray imaging, scattering, and spectroscopy experiments (Eriksson et al., 2014). The APS Upgrade Project exceeds the capabilities of today’s synchrotrons by 2 to 3 orders of magnitude in brightness and coherent flux in the hard x-ray range, enabling a transformational range of new probes for the structure, properties, and functionality of matter. With vastly improved coherent flux, nearly all techniques can become microscopies. For example, frontiers inaccessible today will be opened by x-ray instruments that provide three-dimensional (3-D) real-space resolution down to nanometers across, up to millimeters of field of view, providing the ability to follow in real time relevant processes and trace element sensitivity down to a few atoms. In addition to the unprecedented spatial resolution across a large field of view, and with appropriate time resolution, the ability for high-throughput, four-dimension/five-dimension data collection enables unprecedented statistical analysis of complex biological and environmental systems in changing environments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Investigation of Undissolved Solids from Salt Waste Processing Facility (SWPF) Salt Batches Collected via Filtration

SRNL researchers performed six experiments wherein 0.1 μm-grade stainless steel filters were used to filter samples pulled from salt batches 6, 9B, and 11B, without the addition of monosodium titanate. Three of these experiments were performed to collect filterable solids from each salt batch and characterize trapped solids via scanning electron microscopy. The remaining three experiments were performed to collect and then dissolve the same solids using 3.5 M nitric acid (similar to that employed in the Salt Waste Processing Facility) for characterization via Inductively-coupled plasma atomic emission spectroscopy.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Development Of Non-Invasive Beam Diagnostics By Quantum Optics-Based Detection

We report our effort and latest progress developing diagnostics using quantum optics-based detection method for determining the spatial properties and current of electron beams. As electrons pass through a dilute vapor of rubidium atoms, their magnetic field perturb the atomic spin’s quantum state and causes polarization rotation of a laser resonant with an optical transition of the atoms. By measuring the polarization rotation angle across the laser beam, we recreate a 2D projection of the magnetic field and use it to determine the e-beam position, size and total current. We tested this method for an e-beam with currents ranging from 30 to 110 µA. Our study shows this approach is insensitive to electron kinetic energy, and is initially verified experimentally between 10 to 20 keV. A different approach was also performed with highly excited rubidium atoms in Rydberg states through a coherent two photon process. We use this detection scheme to measure the electric field generated by a

Zhang, S. [Thomas Jefferson National Accelerator F↗
NASA NTRS1967

Potassium plasma cell facilitates thermionic energy conversion process

Thermionic energy converter converts nuclear generated heat directly into high frequency and direct current output. It consists of a potassium plasma cell, a tantalum emitter, and a silver plated copper collector. This conversion process eliminates the steam interface usually required between the atomic heat source and the electrical conversion system.

Richards, H. K.↗
NASA NTRS1975

Effects of darkening processes on surfaces of airless bodies

We find the lunar darkening process could be due neither to simple addition of impact-melted glass nor to addition of devitrified glass to crushed lunar rock. There is evidence that lunar soil grains have thin, very light-absorbing coatings that mask absorption bands, seen in the reflection spectra of freshly crushed lunar rock, in the same manner as they are masked in the spectra of lunar soils. We believe the processes that produce these coatings are (1) deposition of atoms sputtered from lunar soil grains by solar wind particles and (2) deposition of vapor species vaporized from lunar soil grains by micrometeoritic impacts. We describe an apparent new type of fractionation that occurs during deposition of sputtered atoms. This fractionation favors retention of higher mass atoms over lower mass atoms, and appears to be a linear function of mass.

Cassidy, W.↗
NASA NTRS1987

Particle data reduction in Japan

The characterization of atomized particles generated by various atomizer and the mechanics of their evaporation and combustion processes were studied. The need existed for visualizing the internal structure of flames including evaporation and combustion processes as well as for a better way of understanding spray particle generation mechanisms and internal structures. A particle sizer based on Fraunhofer diffraction for detecting particle size and in-line Fraunhofer holograms for observation of local spray particles were used. A novel visualizing technique based on Computer Technology was developed and is discussed.

Nakayama, Mitsushige↗
NASA NTRS1988

Kinetics of CH(X 2Pi) radical reactions with cyclopropane, cyclopentane, and cyclohexane

Rate constants have been obtained for CH(X 2Pi) radical reactions with cyclopropane, cyclopentane, and cyclohexane in order to establish the rate of CH insertion into secondary C-H bonds in alkanes. Data indicate that there is no measurable dependence on photolysis laser energy. The reactions all exhibited rate constants that decrease with increasing temperature. It is suggested that a possible set of pathways for the cycloalkane reactions is a ring-opening process where the excited adduct decomposes to a hydrogen atom and a diene.

Zabarnick, S.↗
NASA NTRS1991

The role of valence-band excitation in laser ablation of KCl

We present recent measurements of excited-atom and ion emission from KCl surfaces illuminated by vacuum-ultraviolet synchrotron radiation (h-nu = 8-28 eV) and ultraviolet laser light (h-nu = 4 eV). At low intensities characteristic of the synchrotron experiments, excited atoms are desorbed by simple valence-band excitation process involving the metallization of the KCl surface. At the higher intensities typical of laser desorption and ablation, we observe a strong decrease in K emission as a function of the number of laser shots, but an essentially constant yield of Cl. K(+) and Cl(-) emission at high intensities show similar behavior. The energetics of these desorption phenomena can be treated in a bond-orbital model which shows that creation of a single valence hole is sufficient to excite an ion to an anti-bonding state.

Haglund, Richard F., Jr.↗
NASA NTRS1996

Computational Modeling of Multi-Phase/Multi-Species Flows with Applications to Liquid Rocket Engines

Accurate prediction of all physical phenomena in a combustion chamber is essential for better understanding of the system performance. Atomization, evaporation, combustion, chemical kinetics, and turbulence are those processes of great importance that need to be well understood. Processes involving the liquid phase in a combustion chamber will be further complicated under supercritical conditions. More advanced and accurate numerical techniques are required to extend our understanding of the above phenomena. A computer program for multi-species/multi-phase flow was developed for NASA/MSFC in 1992. This code, called Liquid Thrust Chamber Performance (LTCP) program takes an Eulerian- Eulerian approach and is based on the Total Variation Diminishing (TVD) technique with Lax-Friedrichs upwind method. Under the NASA/ASEE SFFP the LTCP code was used to predict the performance characteristics of several engines that were of particular interest to NASA. This code was also successful in a combustion detonation study. Converting the program to the PC platform was accomplished which extends usability and makes it available to a wider range of users. The Eulerian formulation of the liquid phase provides a suitable model that can be extended to include combustion modeling under supercritical conditions. The results have been compared against the ones of other codes and available measured data. The algorithm proved to be robust and efficient for problems with stiff source terms.

Navaz, Homayun K.↗
NASA NTRS1999

MSFC Investigations of Beta Cloth Darkening Due to Ultraviolet Radiation Interactions

A common component of multi-layer insulation blankets is beta cloth, a woven fiberglass cloth impregnated with Teflon. It is planned for extensive use on the International Space Station (ISS). The Environmental Effects Group of the Marshall Space Flight Center Materials, Processing and Manufacturing Department has investigated the impact of atomic oxygen (AO) and ultraviolet (UV) radiation on the optical properties of plain and aluminized beta cloth, both in the laboratory and as part of long-duration flight experiments. These investigations indicate that beta cloth was susceptible to darkening in the presence of UV radiation, dependent on the additives used. The presence of AO countered some, if not all, of the UV degradation.

Kamenetzky, Rachel R.↗
NASA NTRS1999

Comparison of Observed Beta Cloth Interactions with Simulated and Actual Space Environment

A common component of multilayer insulation blankets is beta cloth, a woven fiberglass cloth impregnated with Teflon(TM). It is planned for extensive use on the International Space Station. The Environmental Etl'ects Group of the Marshall Space Flight Center Materials, Processing, and Manufacturing Department has investigated the impact of atomic oxygen (AO) and ultraviolet (UV) radiation on the optical properties of plain and aluminized beta cloth. both in the laboratory and as part of long-duration flight experiments. These investigations indicate that beta cloth is susceptible to darkening in the presence of UV radiation, dependent on the additives used. AO interactions resulted in bleaching of the beta cloth.

Kamenetzy, R. R.↗
NASA NTRS2003

Magnetized Target Fusion in Advanced Propulsion Research

The Magnetized Target Fusion (MTF) Propulsion lab at NASA Marshall Space Flight Center in Huntsville, Alabama has a program in place that has adopted to attempt to create a faster, lower cost and more reliable deep space transportation system. In this deep space travel the physics and development of high velocity plasma jets must be understood. The MTF Propulsion lab is also in attempt to open up the solar system for human exploration and commercial use. Fusion, as compared to fission, is just the opposite. Fusion involves the light atomic nuclei combination to produce denser nuclei. In the process, the energy is created by destroying the mass according to the distinguished equation: E = mc2 . Fusion energy development is being pursued worldwide as a very sustainable form of energy that is environmentally friendly. For the purposes of space exploration fusion reactions considered include the isotopes of hydrogen-deuterium (D2) and tritium (T3). Nuclei have an electrostatic repulsion between them and in order for the nuclei to fuse this repulsion must be overcome. One technique to bypass repulsion is to heat the nuclei to very high temperatures. The temperatures vary according to the type of reactions. For D-D reactions, one billion degrees Celsius is required, and for D-T reactions, one hundred million degrees is sufficient. There has to be energy input for useful output to be obtained form the fusion To make fusion propulsion practical, the mass, the volume, and the cost of the equipment to produce the reactions (generally called the reactor) need to be reduced by an order of magnitude or two from the state-of-the-art fusion machines. Innovations in fusion schemes are therefore required, especially for obtaining thrust for propulsive applications. Magnetized target fusion (MTF) is one of the innovative fusion concepts that have emerged over the last several years. MSFC is working with Los Alamos National Laboratory and other research groups in studying the underlying principles involved in MTF. Magnetized Target Fusion is an attempt to combine MCF (magnetic confinement fusion) for energy confinement and ICF (inertial confinement fusion) for efficient compression heating and wall free containment of the fusing plasma. It also seeks to combine the best features to these two main commonplace approaches to fusion.

Cylar, Rashad↗
NASA NTRS2009

A Simple Mechanism for Fractionating Oxygen Isotopes in the Solar Nebula

Lightning in the Solar Nebula is caused by the tribo-electric charging of dust grains carried by massive turbulent flows and driven by the accretion energy in the disk: it has long been one agent assumed responsible for the formation of chondrules. The degree to which charge separation can occur is dependent upon a number of factors, including the concentration of radioactive sources and the total level of ionization in the nebula, and these factors determine the maximum energy likely to be released by a single bolt. While chondrule formation requires a massive discharge, even a small lightning bolt can vaporize grains in the ionized discharge channel. Experimental studies have shown that silica, iron silicate and iron oxide grains formed from a high voltage discharge in hydrogen rich gas containing some oxygen produces solids that are enriched in O-17 and O-18 relative to the composition of the starting gas. Vaporization of silicates produces SiO, metal and free oxygen atoms in each discharge and these species will immediately begin to recondense from the hot plasma. Freshly condensed grains are incrementally enriched in heavy oxygen while the gas is enriched in O-16. Repeated evaporation and condensation of silicates in continuously occurring lightning discharges will monotonically increase the fractionation of oxygen isotopes between the O-17 and O-18 rich dust and the O-16 rich gas. The first mass independently fractionated refractory oxide particles were produced in the lab following the condensation of a flowing gas mixture containing variable amounts of hydrogen, silane, pentacarbonyl iron and oxygen that passed through a high voltage discharge powered by a Tesla coil. While the exact chemical pathway is still uncertain, the most probable reaction mechanisms involve oxidation of the growing refractory clusters by O3, OH or O atoms. This model has some interesting consequences for chemical processes in the early solar nebula. Chemical fractionation of recondensed dust evaporated via lightning discharges should be strongly time dependent. At earlier times, the accretion rate is maximal, thus driving strong turbulence, energetic grain-grain collisions, tribo-electric charging and charge separation, leading to frequent, powerful lightning discharges. As the accretion rate diminishes, turbulence decreases and lightning discharges will become both less powerful and less frequent, thus decreasing the rate of dust-gas fractionation. The most rapid increase in the formation of O-16 poor dust will occur early in nebular history. Generation of fractionated dust should be distributed throughout the inner disk. Once condensed, grain dispersal would average out any significant isotopic anomalies within the inner disk.

Nuth, Joseph A., III↗
NASA NTRS2022

Thermospheric Nitric Oxide Cooling Responses to the 14 December 2020 Solar Eclipse

The behaviors of the nitric oxide (NO) cooling in the lower thermosphere during the 14 December 2020 solar eclipse are studied using Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) measurements and WACCM-X simulations. We found that NO cooling rate decreases during the solar eclipse in both SABER measurements and WACCM-X simulations. The maximum decrease of the NO cooling is 40% in SABER measurements and 25% in WACCM-X simulations. The NO cooling process is initiated almost entirely through the collisions with atomic oxygen (O) which depends linearly on NO and O densities and non-linearly on the neutral temperature. During the eclipse, the NO concentration and temperature decreases are larger than that of O concentration. Consequently, the eclipse-time NO concentration and temperature decreases are the major drivers of the NO cooling rate decrease. The decreases of the temperature and the NO concentration contribute comparably to the eclipse-time NO cooling rate decrease.

solar eclipse↗