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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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Atomic layer etching (ALE) of III-nitrides

Atomic layer etching (ALE) was performed on (Al, In, Ga)N thin films using a cyclic process of alternating Cl 2 gas absorption and Ar + ion bombardment in an inductively coupled plasma etcher system. The etch damage was characterized by comparing photoluminescence of blue single quantum well light-emitting diodes before and after the etch as well as bulk resistivities of etched p-doped layers. It was found that etched surfaces were smooth and highly conformal, retaining the step-terrace features of the as-grown surface, thus realizing ALE. Longer exposures to the dry etching increased the bulk resistivity of etched surfaces layers slightly, with a damaged depth of ∼55 nm. With further optimization and damage recovery, ALE is a promising candidate for controlled etching with atomic accuracy. Finally, it was found that Al 0.1 Ga 0.9 N acts as an etch barrier for the ALE etch, making it a suitable etch to reveal buried V-defects in III-nitride light emitting diodes.

Atomic-layer etching↗
DOE OSTI2015

Constraints on lepton asymmetry from nucleosynthesis in a linearly coasting cosmology

We study the effect of neutrino degeneracy on primordial nucleosynthesis in a universe in which the cosmological scale factor evolves linearly with time. The degeneracy parameter of electron type neutrinos (ξ{sub e}) determines the n/p (neutron to proton) ratio, which in turn determines the abundance of {sup 4}He in a manner quite distinct from the Standard Scenario. The observed abundances of {sup 4}He, Y{sub P} = 0.254 ± 0.003, and the minimum metallicity that is essential for fragmentation and cooling processes in star forming prestellar gas clouds (Z = Z{sub cr} = 10{sup −6}Z{sub ⊙}), constrain the baryon to photon ratio, η{sub B} = (3.927±0.292)10{sup −9}, corresponding to a baryonic matter density, Ω{sub B} = 0.263 ± 0.026 and ξ{sub e} = -2.165 ± 0.171. This closes the dynamic mass estimates of matter in the universe, obtained from large scale velocity dispersion in galaxy clusters, by baryons alone. Useful byproducts are the threshold X(CNO) abundances required to trigger the CNO cycle in the observed low metallicity stars in the universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

LEO P: HOW MANY METALS CAN A VERY LOW MASS, ISOLATED GALAXY RETAIN?

Leo P is a gas-rich dwarf galaxy with an extremely low gas-phase oxygen abundance (3% solar). The isolated nature of Leo P enables a quantitative measurement of metals lost solely due to star formation feedback. We present an inventory of the oxygen atoms in Leo P based on the gas-phase oxygen abundance measurement, the star formation history (SFH), and the chemical enrichment evolution derived from resolved stellar populations. The SFH also provides the total amount of oxygen produced. Overall, Leo P has retained 5% of its oxygen; 25% of the retained oxygen is in the stars while 75% is in the gas phase. This is considerably lower than the 20%–25% calculated for massive galaxies, supporting the trend for less efficient metal retention for lower-mass galaxies. The retention fraction is higher than that calculated for other alpha elements (Mg, Si, Ca) in dSph Milky Way satellites of similar stellar mass and metallicity. Accounting only for the oxygen retained in stars, our results are consistent with those derived for the alpha elements in dSph galaxies. Thus, under the assumption that the dSph galaxies lost the bulk of their gas mass through an environmental process such as tidal stripping, the estimates of retained metal fractions represent underestimates by roughly a factor of four. Because of its isolation, Leo P provides an important datum for the fraction of metals lost as a function of galaxy mass due to star formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Dust survival rates in clumps passing through the Cas A reverse shock – I. Results for a range of clump densities

ABSTRACT The reverse shock in the ejecta of core-collapse supernovae is potentially able to destroy newly formed dust material. In order to determine dust survival rates, we have performed a set of hydrodynamic simulations using the grid-based code astrobear in order to model a shock wave interacting with clumpy supernova ejecta. Dust motions and destruction rates were computed using our newly developed external, post-processing code paperboats, which includes gas drag, grain charging, sputtering, and grain–grain collisions. We have determined dust destruction rates for the oxygen-rich supernova remnant Cassiopeia A as a function of initial grain sizes and clump gas density. We found that up to $30\,\mathrm{{{\ \rm per\ cent}}}$ of the carbon dust mass is able to survive the passage of the reverse shock if the initial grain size distribution is narrow with radii around ∼10–50 nm for high gas densities, or with radii around $\sim 0.5\!-\!1.5\,\mathrm{\mu m}$ for low and medium gas densities. Silicate grains with initial radii around 10–30 nm show survival rates of up to $40\,\mathrm{{{\ \rm per\ cent}}}$ for medium- and high-density contrasts, while silicate material with micron-sized distributions is mostly destroyed. For both materials, the surviving dust mass is rearranged into a new size distribution that can be approximated by two components: a power-law distribution of small grains and a lognormal distribution of grains having the same size range as the initial distribution. Our results show that grain–grain collisions and sputtering are synergistic and that grain–grain collisions can play a crucial role in determining the surviving dust budget in supernova remnants.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

DeepWelding: a Deep Learning Enhanced Approach to GTAW Using Multi-source Sensing Images

Deep learning has great potential to reshape manufacturing industries. In this paper, we present DeepWelding, a novel framework that applies deep learning techniques to improve gas tungsten arc welding (GTAW) process monitoring and penetration detection using multi-source sensing images. The framework is capable of analyzing multiple types of optical sensing images synchronously and consists of three deep learning enhanced consecutive phases: image preprocessing, image selection, and weld penetration classification. Specifically, we adopted generative adversarial networks (pix2pix) for image denoising and classic convolutional neural networks (AlexNet) for image selection. Both pix2pix and AlexNet delivered satisfactory performance. However, five individual neural networks with heterogeneous architectures demonstrated inconsistent generalization capabilities in the classification phase when holding out multi-source images generated with specific experimental settings. Therefore, two ensemble methods combining multiple neural networks were designed to improve the model performance on unseen data collected from different experimental settings. In conclusion, we also found that the quality of model prediction was heavily influenced by the data stream collection environment. We think these findings are beneficial for the broad intelligent welding community.

42 ENGINEERING↗
DOE OSTI2021

Computational thermodynamic study of SiC chemical vapor deposition from MTS-H 2

This study focuses on the computational thermodynamic analysis of the chemical vapor deposition (CVD) of SiC from the methyltrichlorosilane-hydrogen (MTS-H 2 ) using up-to-date thermodynamic databases. High-resolution computation has been performed with the fine intervals of temperature and pressure at the various H 2 /MTS ratios of interest to systematically investigate the deposition condition range (800 to 1600°C, 0 to 26 664 Pa, and H 2 /MTS ratios of 0.1 to 100) to guide experimental exploration. The influence of deposition parameters on the compositions and phase stabilities of the deposit and gas phase pertinent to vapor processing is elucidated. Low pressure and medium temperatures (1000 to 1400°C) are beneficial to reaching a higher SiC deposition efficiency and provide an optimal window for preparing a high-purity (>99 wt.% SiC) deposit. This optimal processing window expands significantly with an increasing H 2 /MTS ratio (<20). These results are supported by a number of previous theoretical and experimental observations. The mass fraction of SiC in deposit is proposed as an additional perspective to understand the discrepancy between thermodynamic calculation and experimental observation of pure CVD SiC at low H 2 /MTS ratios.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Vapor deposition on doublet airfoil substrates: Control of coating thickness and microstructure

Gas jet assisted vapor deposition processes for depositing coatings are conducted at higher pressures than conventional physical vapor deposition methods, and have shown promise for coating complex shaped substrates including those with non-line-of-sight (NLS) regions on their surface. These regions typically receive vapor atoms at a lower rate and with a wider incident angular distribution than substrate regions in line-of-sight (LS) of the vapor source. To investigate the coating of such substrates, the thickness and microstructure variation along the inner (curved) surfaces of a model doublet airfoil containing both LS and NLS regions has been investigated. Results from atomistic simulations and experiments confirm that the coating's thickness is thinner in flux-shadowed regions than in other regions for all the coating processes investigated. They also indicated that the coatings columnar microstructure and pore volume fraction vary with surface location through the LS to NLS transition zone. A substrate rotation strategy for optimizing the thickness over the entire doublet airfoil surface was investigated, and led to the identification of a process that resulted in only small variation of coating thickness, columnar growth angle, and pore volume fraction on all doublet airfoil surfaces.

42 ENGINEERING↗
DOE OSTI2016

Block copolymer self-assembly-directed synthesis of mesoporous gyroidal superconductors

Superconductors with periodically ordered mesoporous structures are expected to have properties very different from those of their bulk counterparts. Systematic studies of such phenomena to date are sparse, however, because of a lack of versatile synthetic approaches to such materials. We demonstrate the formation of three-dimensionally continuous gyroidal mesoporous niobium nitride (NbN) superconductors from chiral ABC triblock terpolymer self-assembly–directed sol-gel–derived niobium oxide with subsequent thermal processing in air and ammonia gas. Superconducting materials exhibit a critical temperature ( T c ) of about 7 to 8 K, a flux exclusion of about 5% compared to a dense NbN solid, and an estimated critical current density ( J c ) of 440 A cm –2 at 100 Oe and 2.5 K. In conclusion, we expect block copolymer self-assembly–directed mesoporous superconductors to provide interesting subjects for mesostructure-superconductivity correlation studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Secondary building units as the turning point in the development of the reticular chemistry of MOFs

The secondary building unit (SBU) approach was a turning point in the discovery of permanently porous metal-organic frameworks (MOFs) and in launching the field of reticular chemistry. In contrast to the single-metal nodes known in coordination networks, the polynuclear nature of SBUs allows these structures to serve as rigid, directional, and stable building units in the design of robust crystalline materials with predetermined structures and properties. This concept has also enabled the development of MOFs with ultra-high porosity and structural complexity. The architectural, mechanical, and chemical stability of MOFs imparted by their SBUs also gives rise to unique framework chemistry. All of this chemistry –including ligand, linker, metal exchange, and metallation reactions, as well as precisely controlled formation of ordered vacancies– is carried out with full retention of the MOF structure, crystallinity, and porosity. The unique chemical nature of SBUs makes MOFs useful in many applications including gas and vapor adsorption, separation processes, and SBU-mediated catalysis. In essence, the SBU approach realizes a long-standing dream of scientists by bringing molecular chemistry (both organic and inorganic) to extended solid-state structures. This contribution highlights the importance of the SBUs in the development of MOFs and points to the tremendous potential still to be harnessed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Diffusion and mobility of atomic particles in a liquid

The diffusion coefficient of a test atom or molecule in a liquid is determined for the mechanism where the displacement of the test molecule results from the vibrations and motion of liquid molecules surrounding the test molecule and of the test particle itself. This leads to a random change in the coordinate of the test molecule, which eventually results in the diffusion motion of the test particle in space. Two models parameters of interaction of a particle and a liquid are used to find the activation energy of the diffusion process under consideration: the gas-kinetic cross section for scattering of test molecules in the parent gas and the Wigner–Seitz radius for test molecules. In the context of this approach, we have calculated the diffusion coefficient of atoms and molecules in water, where based on experimental data, we have constructed the dependence of the activation energy for the diffusion of test molecules in water on the interaction parameter and the temperature dependence for diffusion coefficient of atoms or molecules in water within the models considered. The statistically averaged difference of the activation energies for the diffusion coefficients of different test molecules in water that we have calculated based on each of the presented models does not exceed 10% of the diffusion coefficient itself. We have considered the diffusion of clusters in water and present the dependence of the diffusion coefficient on the cluster size. The accuracy of the presented formulas for the diffusion coefficient of atomic particles in water is estimated to be 50%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Hydroxide Exchange Membrane Carbon Capture (HEMCC) Using Nickel Hydroxide Batteries and Flow-through Membranes

Proposed is an electrochemical nickel hydroxide based hydroxide exchange membrane carbon capture (HEMCC) device for Direct Air Capture (DAC) of CO2. DAC has been identified as one of the key net negative carbon technologies to achieve net zero carbon emissions. Net negative carbon technologies are required to offset continued emissions from dilute CO2 sources such as agriculture and construction. The majority of current DAC technologies at scale (>1 KT∙yr-1) are adsorbent based technologies with significant energy cost. The traditional DAC energy cost is primarily driven by the temperature swing required to regenerate the sorbent and has been shown to be 1.8 MWh·ton-1 at the system level. Electrochemical pH swing devices are a growing research area for carbon capture devices with the goal of lowering the energy cost required for DAC. A pH gradient is built by generating OH- at the cathode and consuming OH- at the anode. An acid-base equilibrium with CO2 allows for the capture of CO2 at the cathode and release at the anode. This extends from other electrochemical CO2 capture devices based on pKa shifts of an electrochemically active organic species allowing for the capture and release of CO2. Electrochemical CO2 capture is considered promising based on potentially low energy costs to capture CO2 in comparison with current temperature swing adsorption technologies. This work explores Ni(OH)2 electrodes to produce the pH gradient for CO2 capture and release. At the cathode NiOOH is reduced to Ni(OH)2 while at the anode Ni(OH)2 is oxidized to NiOOH. The symmetrical electrodes allow for a low voltage requirement; the thermodynamic potential difference of standard electrochemical reactions is zero. Most of the voltage observed is to produce the pH gradient with the remainder driving the polarization of the electrodes. There is a resistance component as well, but this is small in comparison due to the low current densities used in the device, nominally 2 mA·cm-1. Two similar devices are presented, a traditional MEA (membrane electrode assembly) and a flow-through MEA. The traditional MEA separates the two Ni(OH)2 electrodes with an 80μm Piperion® membrane. While the flow-through membrane separates the electrodes with a three piece membrane consisting of two 80μm Piperion® membranes with a porous membrane between them. In the traditional MEA system air is passed over the cathode for capture, while the flow-through MEA the air is passed through the porous membrane isolated from the electrodes. The traditional MEA has been used to establish a baseline performance of the device and has been shown to capture CO2 at an energy cost of 1 MWh·ton-1 at the device level. An understanding has been built around the components of that energy cost including the relationship of flux to current density, effect of a regeneration process, transient battery behavior, and gas losses coinciding with changing the polarization of the batteries. The flow-through MEA looks to address of transient battery behavior and gas losses. It allows for denser, higher capacity electrodes, which can lean on traditional Ni-MH battery technology used in alkaline batteries used today. The higher capacities, limit the transient battery effect on flux in the device. Gas losses are addressed by having a continuous inlet air stream to the device and continuous outlet product.

Buchen, James↗
DOE OSTI2018

Oklahoma Wellbore Rasters

Seven raster surfaces generated from wellbore information that are thought to influence fluid and or gas migration in the subsurface. Wellbore information was originally retrieved from the IHS Energy Group (current as of April 2015), which is a proprietary, commercial database containing information for most oil and gas wells in the U.S. Processing of wellbore information into gridded cells was performed to provide a graphic solution to overcome the problem of displaying proprietary well data. No proprietary data are displayed or included in the cell maps. These rasters were developed to serve as inputs to the SIMPA (Spatially Weighted Multivariate Probabilistic Assessment) tool. Each raster surface is a derivative product of wellbore dataset. Each raster represents a single wellbore attribute or combination of attributes that speak to the following wellbore characteristics: number of recompletions, year spud, year abandoned, year completed, number of abandoned wells, hole direction, switch from production to injection. The original wellbore information, retrieved from the IHS Energy Group, are in the form of points – these derivative rasters aggregate point attributes to approximately 1,000-meter resolution grid cells. Each raster only includes cells that contain wellbores with the characteristics represented in each surface (i.e. if the wellbores in a given cell have no year abandoned data, the cell is not included in the raster). Since the raster cells combine data from multiple points in many cases, methods such as the average, minimum, and count are used to summarize the information in each cell. The specific operations used to develop each raster are detailed in its metadata.

Abandoned↗
DOE OSTI2013

Enhanced LAW Glass Formulation Testing (Final Report)

The principal objective of this work was to extend the glass formulation methodology developed in the earlier work for Envelope A, B and C waste compositions for development of compliant glass compositions targeting five high sodium-sulfur waste loading regions. This was accomplished through a combination of crucible-scale tests, and tests on the DM10 melter system. The DM10 was used for several previous tests on LAW compositions to determine the maximum feed sulfur concentrations that can be processed without forming secondary sulfate phases on the surface of the melt pool. This melter is the most efficient melter platform for screening glass compositions over a wide range of sulfate concentrations and therefore was selected for the present tests. The tests were conducted to provide information on melter processing characteristics and off-gas data, including sulfur incorporation and partitioning. As described above, the main objective was to identify the limits of waste loading in compliant glass formulations spanning the range of expected Na 2 O and SO 3 concentrations in the LAW glasses.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

Glass Formulation Development and DM10 Melter Testing with ORP LAW Glasses (Final Report)

The principal objective of the work described in this Final Report is to extend the glass formulation methodology developed in the earlier work by development of acceptable glass compositions for four LAW compositions specified by ORP that cover the range of sulfate to sodium and potassium to sodium ratios expected in Hanford LAW. The glass formulations were designed to exclude titanium and iron as glass former additives, while tin and vanadium as glass former additives were evaluated for beneficial effects in increasing waste loading in the glasses. This was accomplished through a combination of crucible-scale tests and tests on the DM10 melter system. This melter is the most efficient melter platform for screening glass compositions over a wide range of sulfate concentrations and therefore was selected for the present tests. The current tests provide information on melter processing characteristics and off-gas data, including sulfur incorporation and partitioning.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

The Development of Nano-Composite Electrodes for Solid Oxide Electrolyzers

Solid oxide fuel cells (SOFC) and electrolyzers (SOE) offer an attractive means for converting between electrical and chemical energy. Because they operate at high temperatures and are usually based on electrolytes that are oxygen-ion conducting ceramics, such as yttria-stabilized zirconia (YSZ), they are equally capable of converting between CO and CO 2 as between H 2 and H 2 O. When operated in the SOFC mode, they are able to operate on hydrocarbon fuels so long as there are no materials within the anode that can catalyze carbon formation. Compared to other types of electrolyzers, SOE can exhibit the highest efficiencies because the theoretical Nernst potential is lower at high temperatures and because the electrode overpotentials in SOE tend to be much lower. Finally, pure H 2 can be produced without an external electrical source by electrolysis of steam at one electrode and oxidation of any fuel at the other electrode through a process known as Natural-Gas Assisted Steam Electrolysis. This final report describes results from studies of novel electrodes for SOE and SOFC prepared by infiltration methods.

08 HYDROGEN↗
DOE OSTI2016

GeoT User’s Guide, A Computer Program for Multicomponent Geothermometry and Geochemical Speciation, Version 2.1

GeoT implements the multicomponent geothermometry method developed by Reed and Spycher (1984, Geochim. Cosmichim. Acta 46 513–528) into a stand-alone computer program, to ease the application of this method and to improve the prediction of geothermal reservoir temperatures using full and integrated chemical analyses of geothermal fluids. Reservoir temperatures are estimated from statistical analyses of mineral saturation indices computed as a function of temperature. The reconstruction of the deep geothermal fluid compositions, and geothermometry computations, are all implemented into the same computer program, allowing unknown or poorly constrained input parameters to be estimated by numerical optimization using existing parameter estimation software, such as iTOUGH2, PEST, or UCODE. This integrated geothermometry approach presents advantages over classical geothermometers for fluids that have not fully equilibrated with reservoir minerals and/or that have been subject to processes such as dilution and gas loss.

58 GEOSCIENCES↗
DOE OSTI2016

iGeoT v1.0: Automatic Parameter Estimation for Multicomponent Geothermometry, User's Guide

GeoT implements the multicomponent geothermometry method developed by Reed and Spycher [1984] into a stand-alone computer program to ease the application of this method and to improve the prediction of geothermal reservoir temperatures using full and integrated chemical analyses of geothermal fluids. Reservoir temperatures are estimated from statistical analyses of mineral saturation indices computed as a function of temperature. The reconstruction of the deep geothermal fluid compositions, and geothermometry computations, are all implemented into the same computer program, allowing unknown or poorly constrained input parameters to be estimated by numerical optimization. This integrated geothermometry approach presents advantages over classical geothermometers for fluids that have not fully equilibrated with reservoir minerals and/or that have been subject to processes such as dilution and gas loss. This manual contains installation instructions for iGeoT, and briefly describes the input formats needed to run iGeoT in Automatic or Expert Mode. An example is also provided to demonstrate the use of iGeoT.

58 GEOSCIENCES↗