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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Oxidation of silicon nitride sintered with rare-earth oxide additions

The effects of rare-earth oxide additions on the oxidation of sintered Si3N4 were examined. Insignificant oxidation occurred at 700 and 1000 C, with no evidence of phase instability. At 1370 C, the oxidation rate was lowest for Y2O3 and increased for additions of La2O3, Sm2O3, and CeO2, in that order. Data obtained from X-ray diffraction, electron microprobe analysis, and scanning electron microscopy indicate that oxidation occurs via diffusion of cationic species from Si3N4 grain boundaries.

Mieskowski, D. M.↗
NASA NTRS1988

Electrochemical Growth Of Crystals In Gels

Nucleation and growth rates readily controlled. Technique developed to grow crystals by controlling rate of transfer of one component into crystallization volume. Method involves electrochemically controlled generation of one of precipitation species, coupled with diffusion barrier. New procedure, developed in connection with formation of lead tin telluride by reaction in gels of metal ions with telluride ions.

Barber, Patrick G.↗
NASA NTRS1989

Dynamic mixing in magma bodies - Theory, simulations, and implications

The magma-mixing process is different from the mantle mixing process in that the mixing components of magma are dynamically active, with the melt density depending strongly on composition. This paper describes simulations of time-dependent variable-viscosity double-diffusive convection which were carried out to investigate quantitatively the mixing dynamics of magma in melt-dominated magma bodies. Results show that the dynamics of double-diffusive convection can impart complex patterns of composition, through time and space. The mixing time depends nonlinearly on many factors, including heat flux driving convection, the rate of diffusion of chemical species, the relative importance of thermal and chemical buoyancy, the viscosities of the mixing components, and the shape of the magma body.

Oldenburg, Curtis M.↗
NASA NTRS1993

Influence of test configuration on the combustion characteristics of polymers as ignition sources

The experimental evaluation of polymers as ignition sources for metals was accomplished at the NASA White Sands Test Facility (WSTF) using a standard promoted combustion test. These tests involve the transient burning of materials in high-pressure oxygen environments. They have provided data from which design decisions can be made; data include video recordings of ignition and non-ignition for specific combinations of metals and polymers. Other tests provide the measured compositions of combustion products for polymers at select burn times and an empirical basis for estimating burn rates. With the current test configuration, the detailed analysis of test results requires modeling a three-dimensional, transient convection process involving fluid motion, thermal conduction and convection, the diffusion of chemical species, and the erosion of sample surface. At the high pressure extremes, it even requires the analysis of turbulent, transient convection where the physics of the problem are not well known and the computation requirements are not practical at this time. An alternative test configuration that can be analyzed with a relatively-simple convection model was developed during the summer period. The principal change constitutes replacing a large-diameter polymer disk at the end of the metal test rod with coaxial polymer cylinders that have a diameter nearer to that of the metal rod. The experimental objective is to assess the importance of test geometries on the promotion of metal ignition by testing with different lengths of the polymer and, with an extended effort, to analyze the surface combustion in the redesigned promoted combustion tests through analytical modeling of the process. The analysis shall use the results of cone-calorimeter tests of the polymer material to model primary chemical reactions and, with proper design of the promoted combustion test, modeling of the convection process could be conveniently limited to a quasi-steady boundary layer analysis where the economical solution of parabolic equations is involved. The products for the summer period are: (1) a conceptual-level redesign of the test apparatus, and (2) the development and use of an approximate integral boundary layer analysis to demonstrate the influence of geometry changes prior to testing. A computer code STAN5, an accurate numerical boundary layer model whose earlier versions were developed for the NASA Lewis Research Center by the Fellow, also was installed and validated on the WSTF and New Mexico State University computer systems as a starting point in the development of a more detailed fluid mechanics and combustion model.

Julien, Howard L.↗
DOE OSTI2025

The Effect of Flow on CO2 Corrosion of Self-Healing Metallic Coatings

Internal corrosion is an issue that affects natural gas pipelines, a significant part of the United States energy infrastructure. Over time, this corrosion has worn away longstanding pipelines due to the original construction materials used for the lines and impurities in the gas and liquid streams flowing through them. The main impurities in natural gas are H2O, CO2, H2S, and O2. One of the leading causes of corrosion is the CO2 dissolved in water, giving rise to carbonic acid formation, which can further dissolve the steel pipe. The National Energy Technology Laboratory (NETL) has been studying different solutions to this problem. One potential answer is a self-healing sacrificial metallic coating applied by a novel cold spray technique. Previous studies at NETL have shown that the zinc-rich self-healing coating can withstand corrosion through passivation and create a barrier to the diffusion of corrosive species. This study explored the impact of flow on corrosion with this coating and carbon steel when exposed to a saturated CO2 environment by simulating the pipeline flow profile in a small-scale lab setting. The samples were evaluated using multiple electrochemical techniques that found corrosion rates and were backed up with surface analysis to conclude the behavior of the corrosion mechanisms.

CO2 corrosion↗
NASA NTRS1993

Computation of wake/exhaust mixing downstream of advanced transport aircraft

The mixing of engine exhaust with the vortical wake of high speed aircraft operating in the stratosphere can play an important role in the formation of chemical products that deplete atmospheric ozone. An accurate analysis of this type of interaction is therefore necessary as a part of the assessment of the impact of proposed High Speed Civil Transport (HSCT) designs on atmospheric chemistry. This paper describes modifications to the parabolic Navier-Stokes flow field analysis in the UNIWAKE unified aircraft wake model to accommodate the computation of wake/exhaust mixing and the simulation of reacting flow. The present implementation uses a passive chemistry model in which the reacting species are convected and diffused by the fluid dynamic solution but in which the evolution of the species does not affect the flow field. The resulting analysis, UNIWAKE/PCHEM (Passive CHEMistry) has been applied to the analysis of wake/exhaust flows downstream of representative HSCT configurations. The major elements of the flow field model are described, as are the results of sample calculations illustrating the behavior of the thermal exhaust plume and the production of species important to the modeling of condensation in the wake. Appropriate steps for further development of the UNIWAKE/PCHEM model are also outlined.

Quackenbush, Todd R.↗
NASA NTRS1999

Carbon chain abundance in the diffuse interstellar medium

Thanks to the mid-IR sensitivities of the ISO and IRTS orbiting spectrometers it is now possible to search the diffuse interstellar medium for heretofore inaccessible molecular emission. In view of the recent strong case for the presence of C(7-) (Kirkwood et al. 1998, Tulej et al. 1998),and the fact that carbon chains possess prominent infrared active modes in a very clean portion of the interstellar spectrum, we have analyzed the IRTS spectrum of the diffuse interstellar medium for the infrared signatures of these species. Theoretical and experimental infrared band frequencies and absolute intensities of many different carbon chain species are presented. These include cyanopolyynes, neutral and anionic linear carbon molecules, and neutral and ionized, even-numbered, hydrogenated carbon chains. We show that--as a family--these species have abundances in the diffuse ISM on the order of 10(-10) with respect to hydrogen, values consistent with their abundances in dense molecular clouds. Assuming an average length of 10 C atoms per C-chain implies that roughly a millionth of the cosmically available carbon is in the form of carbon chains and that carbon chains can account for a few percent of the visible to near-IR diffuse interstellar band (DIB) total equivalent width (not DIB number).

Carbon/analysis/chemistry↗
DOE OSTI2024

Hierarchical Conditioning of Diffusion Models Using Tree-of-Life for Studying Species Evolution

A central problem in biology is to understand how organisms evolve and adapt to their environment by acquiring variations in the observable characteristics or traits of species across the tree of life. With the growing availability of large-scale image repositories in biology and recent advances in generative modeling, there is an opportunity to accelerate the discovery of evolutionary traits automatically from images. Toward this goal, we introduce Phylo-Diffusion, a novel framework for conditioning diffusion models with phylogenetic knowledge represented in the form of HIERarchical Embeddings (HIER-Embeds). We also propose two new experiments for perturbing the embedding space of Phylo-Diffusion: trait masking and trait swapping, inspired by counterpart experiments of gene knockout and gene editing/swapping. Our work represents a novel methodological advance in generative modeling to structure the embedding space of diffusion models using tree-based knowledge. Our work also opens a new chapter of research in evolutionary biology by using generative models to visualize evolutionary changes directly from images. We empirically demonstrate the usefulness of Phylo-Diffusion in capturing meaningful trait variations for fishes and birds, revealing novel insights about the biological mechanisms of their evolution. (Model and code can be found at imageomics.github.io/phylo-diffusion)

Khurana, Mridul↗
NASA NTRS1984

Surface-slip equations for low-Reynolds-number multicomponent gas flows

Equations have been obtained for jump (or slip) in the wall values of species concentration, pressure, velocity, and temperature for the low-Reynolds-number high-altitude flight regime of a space vehicle. The analysis, based on the Chapman-Enskog method as applied by Shidlovskiy for a single-species gas, includes multicomponent diffusion with finite-rate surface catalytic recombination. A consistent set of equations is provided for multicomponent, binary, and single species mixtures.

Gupta, R. N.↗
NASA NTRS1984

Surface-slip equations for low-Reynolds-number multicomponent gas flows

Equations have been obtained for jump (or slip) in the wall values of species concentration, pressure, velocity, and temperature for the low-Reynolds-number high-altitude flight regime of a space vehicle. The analysis, based on the Chapman-Enskog method as applied by Shidlovskiy for a single-species gas, includes multicomponent diffusion with finite-rate surface catalytic recombination. A consistent set of equations is provided for multicomponent, binary, and single species mixtures.

Gupta, R. N.↗
NASA NTRS2000

The Dynamical Evolution of A Tubular Leonid Persistent Train

The dynamical evolution of the persistent train of a bright Leonid meteor was examined for evidence of the source of the luminosity and the physical conditions in the meteor path. The train consisted of two parallel somewhat diffuse luminous tracks, interpreted as the walls of a tube. A general lack of wind shear along the trail allowed these structures to remain intact for nearly 200 s, from which it was possible to determine that the tubular structure expanded at a near constant 10.5 m/s, independent of altitude between 86 and 97 km. An initial fast decrease of train intensity below 90 km was followed by an increase in intensity and then a gradual decrease at longer times, whereas at high attitudes the integrated intensity was nearly constant with time. These results are compared to a model that describes the dynamical evolution of the train by diffusion, following an initial rapid expansion of the hot gaseous trail behind the meteoroid. The train luminosity is produced by O ((sup 1)S) emission at 557 nm, driven by elevated atomic O levels produced by the meteor impact, as well as chemiluminescent reactions of the ablated metals Na and Fe with O3. Ozone is rapidly removed within the train, both by thermal decomposition and catalytic destruction by the metallic species. Hence, the brightest emission occurs at the edge of the train between outwardly diffusing metallic species and inwardly diffusing O3. Although the model is able to account plausibly for a number of characteristic features of the train evolution, significant discrepancies remain that cannot easily be resolved.

Jenniskens, Peter↗
NASA NTRS2009

Unsteady Extinction of Opposed Jet Ethylene/Methane HIFiRE Surrogate Fuel Mixtures vs Air

A unique idealized study of the subject fuel vs. air systems was conducted using an Oscillatory-input Opposed Jet Burner (OOJB) system and a newly refined analysis. Extensive dynamic-extinction measurements were obtained on unanchored (free-floating) laminar Counter Flow Diffusion Flames (CFDFs) at 1-atm, stabilized by steady input velocities (e.g., U(sub air)) and perturbed by superimposed in-phase sinusoidal velocity inputs at fuel and air nozzle exits. Ethylene (C2H4) and methane (CH4), and intermediate 64/36 and 15/85 molar percent mixtures were studied. The latter gaseous surrogates were chosen earlier to mimic ignition and respective steady Flame Strengths (FS = U(sub air)) of vaporized and cracked, and un-cracked, JP-7 "like" kerosene for a Hypersonic International Flight Research Experimentation (HIFiRE) scramjet. For steady idealized flameholding, the 100% C2H4 flame is respectively approx. 1.3 and approx.2.7 times stronger than a 64/36 mix and CH4; but is still 12.0 times weaker than a 100% H2-air flame. Limited Hot-Wire (HW) measurements of velocity oscillations at convergent-nozzle exits, and more extensive Probe Microphone (PM) measurements of acoustic pressures, were used to normalize Dynamic FSs, which decayed linearly with pk/pk U(sub air) (velocity magnitude, HW), and also pk/pk P (pressure magnitude, PM). Thus Dynamic Flame Weakening (DFW) is defined as % decrease in FS per Pascal of pk/pk P oscillation, namely, DFW = -100 d(U(sub air)/U(sub air),0Hz)/d(pkpk P). Key findings are: (1) Ethylene flames are uniquely strong and resilient to extinction by oscillating inflows below 150 Hz; (2) Methane flames are uniquely weak; (3) Ethylene / methane surrogate flames are disproportionately strong with respect to ethylene content; and (4) Flame weakening is consistent with limited published results on forced unsteady CFDFs. Thus from 0 to approx. 10 Hz and slightly higher, lagging diffusive responses of key species led to progressive phase lags (relative to inputs) in the oscillating flames, and caused maximum weakening. At 20 to 150 Hz, diffusion-rate-limited effects diminished, causing flames to "regain strengnth," and eventually become completely insensitive beyond 300 Hz. Detailed mechanistic understanding is needed. Overall, ethylene flames are remarkably resilient to dynamic extinction by oscillating inflows. They are the strongest, with the notable exception of H2. For HIFiRE tests, the 64%/36% surrogate disproportionally retains the high dynamic FS of ethylene, so the potential for loss of scramjet flameholding (flameout) due to low frequency oscillations is significantly mitigated.

Vaden, Sarah N.↗
NASA NTRS2000

Gravity-Related Transport Process in Off-Axis Sputtering Deposition

In the synthesis of epitaxial oxide films, reactive off-axis sputtering deposition techniques have demonstrated the advantages of fabricating high quality epitaxial films. Due to the collisions between the sputtered species and the residue gases, the kinetic energy of species was reduced and the transport of depositing species changed from a ballistic movement to a diffusive drift in which the transport species were almost thermalized. A gravity effect could appear in the transport process. Three transport regimes were observed when the growth pressures vary from 5 mTorr to 150 mTorr. Film growth rate, depositing orientations, crystal structure, surface morphology, and compositions were characterized. A gravity related phenomenon was revealed in film growth at the relative low growth pressures.

Zhu, Shen↗
NASA NTRS1978

Travelling neutral disturbances and minor constituent particle mass

The mass cut-offs for critical or resonant coupling of minor species acoustic waves (so-called travelling neutral disturbances) and acoustic-gravity waves in the main atmosphere are shown and explained. The effects of vertical temperature gradients and the diffusion of the minor species on the mass cut-offs are also demonstrated. The wave characteristics of these minor species waves are examined. The wave number surface is shown to be such that energy and group velocity directions are more nearly vertical than those of gravity waves for the same phase velocity direction. It is expected that these coupled waves, when properly excited, will act to damp gravity waves and redistribute energy vertically. Implications for the thermosphere and mesosphere are discussed. Under ordinary conditions such resonant coupling is judged more likely for lighter mass species, such as helium and hydrogen.

Gross, S. H.↗
NASA NTRS1975

Kinetics of boron deposition by the hydrogen reduction of boron trichloride

The chemical vapor deposition of boron filament is generally considered to be limited by the diffusion of the reactive species to the hot substrate. From concentration gradient considerations and from experimental measurements it is concluded that the product species (HCl) is more likely to be involved in limiting the deposition rate. Comparison of theoretically calculated and experimentally measured deposition rates show that the rate is generally partially limited by diffusion and partially by the surface reaction rate (desorption) of HCl. The relative amounts of surface reaction or diffusion rate impedance were determined as a function of temperature and gas velocity. The temperature coefficient for the desorption of HCl was found to be 52 Kcal/mole.

Mehalso, R. M.↗
DOE OSTI2025

Performance of Diffusion Monte Carlo Calculations for Predicting the Relative Energies of Quinoidal and Nonquinoidal Species

Coupled cluster singles and doubles with perturbative triples [CCSD(T)] and single determinant fixed-node diffusion Monte Carlo (SD-DMC) have emerged as two of the most useful methods for providing benchmark reaction and interaction energies of chemical systems without strong static correlation. The errors in DMC energies are dominated by an inexact description of the nodal surfaces for electron exchange. One of the main approaches to addressing the fixed-node error is to use multideterminant (MD) trial wave functions. We consider here the energy differences between pairs of related molecules with aromatic and quinoidal structures as well as between quinoidal isomers. Quinoidal systems tend to have some diradical character, leading one to anticipate that SD-DMC calculations may face challenges in accurately describing their energetics. The MD trial wave functions were generated from the complete active space calculations. A comparison is made with the predictions of well-converged CCSD(T) calculations.

basis sets↗
DOE OSTI2024

Quantitative local state of charge mapping by operando electrochemical fluorescence microscopy in porous electrodes

We introduce operando quantitative electrochemical fluorescence state of charge mapping (QEFSM), a non-invasive technique to study operating electrochemical systems along with a new design of optically transparent microfluidic redox flow cells compatible with the most demanding optical requirements. QEFSM allows quantitative mappings of the concentration of a particular oxidation state of a redox-active species within a porous electrode during its operation. In this study, we used confocal microscopy to map the fluorescence signal of the reduced form of 2,7-anthraquinone disulfonate (AQDS) in a set of multistep-chronoamperometry experiments. Calibrating these images and incorporating an analytical model of quinhydrone heterodimer formation with no free parameters, and accounting for the emission of each species involved, we determined the local molecular concentration and the state of charge (SOC) fields within a commercial porous electrode during operation. With this method, electrochemical conversion and species advection, reaction and diffusion can be monitored at heretofore unprecedented transverse and axial resolution (1 μm and 25 μm, respectively) at frame rates of 0.5 Hz, opening new routes to understanding local electrochemical processes in porous electrodes. Here, we observed pore-scale SOC inhomogeneities appearing when the fraction of electroactive species converted in a single pass through the electrode becomes large.

42 ENGINEERING↗