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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Containerless drop tube solidification and grain refinement of NiAl3

The possibility of undercooling Ni-Al alloys below the liquidus in order to produce a single phase peritectic structure by containerless drop tube solidification was studied. Containerless process is a technique for both high purity contamination free studies as well as for investigating the undercooling and rapid solidification of alloys by suppression of heterogeneous nucleation on container walls. In order to achieve large undercoolings one must avoid heterogeneous nucleation of crystallization. It was shown that the Marshall Space Flight Center drop tubes ae unique facilities for containerless solidification experiments and large undercoolings are possible with some alloys. The original goal of undercooling the liquid metal well below the liquidus to the peritectic temperature during containerless free to form primarily NiAl3 was achieved. The microstructures were interesting from another point of view. The microstructure from small diameter samples is greatly refined. Small dendrite arm spacings such as these could greatly facilitate the annealing and solid state transformation of the alloy to nearly 10% NiAl3 by reducing the distance over which diffusion needs to occur. This could minimize annealing time and might make it economically feasible to produce NiAl3 alloy.

Ethridge, E. C.↗
NASA NTRS2003

The Filtered Abel Transform and Its Application in Combustion Diagnostics

Many non-intrusive combustion diagnosis methods generate line-of-sight projections of a flame field. To reconstruct the spatial field of the measured properties, these projections need to be deconvoluted. When the spatial field is axisymmetric, commonly used deconvolution method include the Abel transforms, the onion peeling method and the two-dimensional Fourier transform method and its derivatives such as the filtered back projection methods. This paper proposes a new approach for performing the Abel transform method is developed, which possesses the exactness of the Abel transform and the flexibility of incorporating various filters in the reconstruction process. The Abel transform is an exact method and the simplest among these commonly used methods. It is evinced in this paper that all the exact reconstruction methods for axisymmetric distributions must be equivalent to the Abel transform because of its uniqueness and exactness. Detailed proof is presented to show that the two dimensional Fourier methods when applied to axisymmetric cases is identical to the Abel transform. Discrepancies among various reconstruction method stem from the different approximations made to perform numerical calculations. An equation relating the spectrum of a set of projection date to that of the corresponding spatial distribution is obtained, which shows that the spectrum of the projection is equal to the Abel transform of the spectrum of the corresponding spatial distribution. From the equation, if either the projection or the distribution is bandwidth limited, the other is also bandwidth limited, and both have the same bandwidth. If the two are not bandwidth limited, the Abel transform has a bias against low wave number components in most practical cases. This explains why the Abel transform and all exact deconvolution methods are sensitive to high wave number noises. The filtered Abel transform is based on the fact that the Abel transform of filtered projection data is equal to an integral transform of the original projection data with the kernel function being the Abel transform of the filtering function. The kernel function is independent of the projection data and can be obtained separately when the filtering function is selected. Users can select the best filtering function for a particular set of experimental data. When the kernal function is obtained, it can be used repeatedly to a number of projection data sets (rovs) from the same experiment. When an entire flame image that contains a large number of projection lines needs to be processed, the new approach significantly reduces computational effort in comparison with the conventional approach in which each projection data set is deconvoluted separately. Computer codes have been developed to perform the filter Abel transform for an entire flame field. Measured soot volume fraction data of a jet diffusion flame are processed as an example.

Simons, Stephen N.↗
NASA NTRS2002

Vapor transport growth of organic solids in microgravity and unit gravity: some comparisons and results to date

Thin films of an organic nonlinear optical (NLO) material, N, N-dimethyl-p-(2,2-dicyanovinyl) aniline (DCVA), have been grown in space and on the ground by physical vapor transport in an effusive ampoule arrangement. The thin film growth technique developed on the ground is a direct result of information gleaned from experiments in microgravity. This paper covers the results of our experimental investigations for establishing "ideal" terrestrial conditions for deposition of a DCVA film. The active control during the deposition process was exercised by three deposition variables: the material source temperature, the background pressure external to the growth ampoule and the substrate temperature. Successful growth occurred when the difference in temperature between the source material and the copper substrate was 14 degrees C and the background nitrogen pressure was such that the transport was either diffusive or convective. A qualitative diffusion limited boundary was estimated to occur at a pressure of approximately 20 torr. We have probed the DCVA thin films with visible-near infrared reflection absorption spectroscopy, polarized Fourier transform infrared spectrometry, differential interference contrast optical microscopy, and stylus profilometry.

short duration↗
NASA NTRS1996

Soot Precursor Material: Spatial Location via Simultaneous LIF-LII Imaging and Characterization via TEM

The chemical and physical transformation between gaseous fuel pyrolysis products and solid carbonaceous soot represents a critical step in soot formation. In this paper, simultaneous two-dimensional LIF-LII (laser-induced fluorescence - laser-induced incandescence) images identify the spatial location where the earliest identifiable chemical and physical transformation of material towards solid carbonaceous soot occurs along the axial streamline in a normal diffusion flame. The identification of the individual LIF and LII signals is achieved by examining both the excitation wavelength dependence and characteristic temporal decay of each signal. Spatially precise thermophoretic sampling measurements are guided by the LIF-LII images with characterization of the sampled material accomplished via both bright and dark field TEM. Both bright and dark field TEM measurements support the observed changes in photophysical properties which account for conversion of fluorescence to incandescence as fuel pyrolysis products evolve towards solid carbonaceous soot.

VanderWal, Randall L.↗
NASA NTRS1999

A Stratospheric Mixing and Transport Sampler

The mixing and transport of stratospheric chemical species occurs by a variety of physical mechanisms on a range of length and time scales. Slow vertical diffusion resembles Taylor diffusion in pipe flow, while rapid stirring by chaotic advection is essentially a "baker's transformation", via the stretching and folding of material lines in the flow. Other examples include global scale transport by large organized flow structures, such as the winter stratospheric "eggbeater" that brings tropical air to the north pole. This presentation is a survey of these different mixing and transport phenomena and how we see their signatures in observations of chemical tracers.

Sparling, Lynn↗
NASA NTRS2004

New Gas Polarographic Hydrogen Sensor

Polarography is the measurement of the current that flows in solution as a function of an applied voltage. The actual form of the observed polarographic current depends upon the manner in which the voltage is applied and on the characteristics of the working electrode. The new gas polarographic H2 sensor shows a current level increment with concentration of the gaseous H2 similar to those relating to metal ions in liquid electrolytes in well-known polarography. This phenomenon is caused by the fact that the diffusion of the gaseous H2 through a gas diffusion hole built in the sensor is a rate-determining step in the gaseous-hydrogen sensing mechanism. The diffusion hole artificially limits the diffusion of the gaseous H2 toward the electrode located at the sensor cavity. This gas polarographic H2 sensor. is actually an electrochemical-pumping cell since the gaseous H2 is in fact pumped via the electrochemical driving force generated between the electrodes. Gaseous H2 enters the diffusion hole and reaches the first electrode (anode) located in the sensor cavity to be transformed into an H+ ions or protons; H+ ions pass through the electrolyte and reach the second electrode (cathode) to be reformed to gaseous H2. Gas polarographic 02 sensors are commercially available; a gas polarographic 02 sensor was used to prove the feasibility of building a new gas polarographic H2 sensor.

Dominguez, Jesus A.↗
NASA NTRS2006

H2 Detection via Polarography

Polarography is the measurement of the current that flows in solution as a function of an applied voltage. The actual form of the observed polarographic current depends upon the manner in which the voltage is applied and on the characteristics of the working electrode. The new gas polarographic H2 sensor shows a current level increment with concentration of the gaseous H2 similar to those relating to metal ions in liquid electrolytes in well-known polarography. This phenomenon is caused by the fact that the diffusion of the gaseous H2 through a gas diffusion hole built in the sensor is a rate-determining step in the gaseous-hydrogen sensing mechanism. The diffusion hole artificially limits the diffusion of the gaseous H2 toward the electrode located at the sensor cavity. This gas polarographic H2 sensor is actually an electrochemical-pumping cell since the gaseous H2 is in fact pumped via the electrochemical driving force generated between the electrodes. Gaseous H2 enters the diffusion hole and reaches the first electrode (anode) located in the sensor cavity to be transformed into an H ions or protons; H ions pass through the electrolyte and reach the second electrode (cathode) to be reformed to gaseous H2. Gas polarographic O2 sensors are commercially available; a gas polarographic O2 sensor was used to prove the feasibility of building a new gas polarographic H2 sensor.

Dominquez, Jesus↗
DOE OSTI2025

Curvature effects in the reaction-diffusion system governing frontal polymerization

Frontal polymerization is a fast and energy-efficient curing process of thermoset polymers involving the self-sustained propagation of a sharp front that transforms a liquid monomer or gel into a polymer. The temperature, speed, and geometry of the polymerization front are closely intertwined quantities that can affect the curing process and the mechanical properties of the polymer. This work investigates the effect of the front curvature on the front propagation speed based on a reaction-diffusion model. The proposed analytical relations between front speed and curvature are verified by finite element simulations and validated through experiments. The models show that a concave front has a higher front temperature and speed than its convex counterpart. When the curvature of a convex front reaches a critical value, the reaction can no longer be sustained, and the front is quenched. The relation between the speed of a steadily propagating front and its geometry is derived, showing good agreement with experimental observations. This study also provides analytical estimates of the thickness of the polymerization front and insight into the relationship between the front curvature and the kinetics of the exothermic reaction.

42 ENGINEERING↗
NASA NTRS2014

Solar Wind Implantation into Lunar Regolith: Hydrogen Retention in a Surface with Defects

Solar wind protons are implanted directly into the top 100 nm of the lunar near-surface region, but can either quickly diffuse out of the surface or be retained, depending upon surface temperature and the activation energy, U, associated with the implantation site. In this work, we explore the distribution of activation energies upon implantation and the associated hydrogen-retention times; this for comparison with recent observation of OH on the lunar surface. We apply a Monte Carlo approach: for simulated solar wind protons at a given local time, we assume a distribution of U values with a central peak, U(sub c) and width, U(sub w), and derive the fraction retained for long periods in the near-surface. We find that surfaces characterized by a distribution with predominantly large values of U (greater than 1 eV) like that expected at defect sites will retain implanted H (to likely form OH). Surfaces with the distribution predominantly at small values of U (less than 0.2 eV) will quickly diffuse away implanted H. However, surfaces with a large portion of activation energies between 0.3 eV less than U less than 0.9 eV will tend to be H-retentive in cool conditions but transform into H-emissive surfaces when warmed (as when the surface rotates into local noon). These mid-range activation energies give rise to a diurnal effect with diffusive loss of H at noontime.

regolith↗
NASA NTRS1991

Organic matter in meteorites and comets - Possible origins

At least six extraterrestrial environments may have contributed organic compounds to meteorites and comets: solar nebula, giant-planet subnebulae, asteroid interiors containing liquid water, carbon star atmospheres, and diffuse or dark interstellar clouds. The record in meteorites is partly obscured by pervasive reheating that transformed much of the organic matter to kerogen; nonetheless, it seems that all six formation sites contributed. For comets, the large abundance of HCHO, HCN, and unsaturated hydrocarbons suggests an interstellar component of 50 percent or more, but the contributions of various interstellar processes, and of a solar-nebula component, are hard to quantify. A research program is outlined that may help reduce these uncertainties.

Anders, Edward↗
NASA NTRS1992

Follow up on the crystal growth experiments of the LDEF

The 4 solution growth experiments on the LDEF were presented thoroughly elsewhere. The CaCO3-experiment, and to a certain extent also the TTF-TCNQ-experiments yielded useful results. In Jan. 1992, the next series of solution growth experiments were sent to ESA for shipment to KSC. As on the LDEF, the SGF (solution growth facility) of the EURECA-1 contains 4 large experiments. From the beginning, the planning and developments were introduced. Still, the basic concept was maintained, and the CaCO3-experiment, that showed the best results on the LDEF, will now be repeated with improved technology and in larger scale on the EURECA-1. The contents of the 4 SGF experiments are as follows: (1) growth of calcium-carbonate crystals; (2) formation and transformation of tri-calcium-phosphate; (3) growth of zeolite crystals; and (4) soret coefficient measurements (diffusion). The scientific background for the choice of experiments and the major improvements of the SGF are reviewed. Furthermore, some ideas on basic microgravity solution growth experimentation from ESA's newly established EWG (Expert Working Group) on solution growth are reported.

Nielsen, K. F.↗
DOE OSTI2025

Speciation and diffusive dynamics in hydrated grain boundaries of complex oxide Gd2Ti2O7

Abstract Grain boundaries in polycrystalline materials significantly affect their properties, such as ionic transport, corrosion, and chemical durability. The pyrochlore compound (Gd 2 Ti 2 O 7 ) is employed as a model for complex oxides and is known for its diverse applications, including nuclear waste immobilization. Density functional theory-based first-principles molecular dynamics simulations were performed at different temperatures on the hydrated grain boundary system. The results show extensive transformations within the grain boundaries among hydrous water species (OH − , H 2 O, and H 3 O + ). The temperature dependence of self-diffusion coefficients follows Arrhenius behavior, with an activation energy of 35.9 kJ/mol for hydrogen and 46.3 kJ/mol for oxygen. The lifetime of OH − is about three to four times longer than that of H 2 O at temperatures from 800 to 2100 K, suggesting the greater stability of OH − over H 2 O, a unique characteristic of the grain boundaries. The estimated lifetime of the hydrous species decreases as the temperature increases, with an activation energy of 9.9 kJ/mol for OH − and 13.4 kJ/mol for H 2 O. While Gd 3 + is more mobile than Ti 4+ , both the Gd 3 + and Ti 4+ cations are orders of magnitude less mobile than the water species. The results suggest that water species are much more mobile within grain boundaries than in the bulk crystal and have the potential to penetrate deep into polycrystalline materials through grain boundaries, leading to grain boundary degradation and dissolution. The different mobilities of cations in complex oxides can lead to leaching of certain cations and incongruent dissolution during the chemical weathering of Earth and industrial materials.

B. Ghosh, Dipta↗
NASA NTRS1989

Velocity space diffusion of pickup ions from the water group at Comet Halley

The diffusion in velocity space of cometary ions was studied using the distributions of ions measured by the implanted ion spectrometer in Giotto during the inbound pass. The measurements were transformed into a frame comoving with the solar wind and oriented with the magnetic field. The observations show the evolution of the pitch angle distribution in the solar wind turbulence to form a shell from the initial ring. Diffusion in energy takes place simultaneously but on a longer time scale. Comparison with theory is inhibited by the lack of a suitable spatial model, but the simple arguments that can be made indicate that pitch angle diffusion and the process of parallel pickup take place more slowly than theory suggests.

Coates, A. J.↗
NASA NTRS1981

High-resolution interferometric spectrophotopolarimetry

Spectrophotopolarimetric capability can be added to a laboratory interferometer-spectrometer by use of a specially designed module described herein. With the instrument so augmented, high-resolution spectra can be obtained of the Stokes parameters of the reference beam and the beams diffusely reflected or transmitted by a sample medium of interest. For any such beam, the exponential Fourier transforms of the two interferograms obtained with a polarizer-analyzer oriented along the 0 deg and the 90 deg directions provide the spectra of I and Q, separately. Within experimental (and numerical) noise, this I spectrum should be the same as the one obtained with the polarizer removed. The remaining Stokes parameters U and V are obtained with a third interferogram recorded with the polarizer along the 45 deg direction. The complete theory of this instrument is described including the detailed analysis of the polarization-interferograms it provides.

Fymat, A. L.↗
NASA NTRS1982

Ultrasonic determination of thermodynamic threshold parameters for irreversible cutaneous burns

In vivo ultrasonic measurements of the depth of conductive cutaneous burns experimentally induced in anesthetized Yorkshire pigs are reported as a function of burn time for the case in which the skin surface temperature is maintained at 100 C. The data are used in the solution of the one-dimensional heat diffusion equation with time-dependent boundary conditions to obtain the threshold temperature and the energy of transformation per unit mass associated with the transition of the tissue from the state of viability to the state of necrosis. The simplicity of the mathematical model and the expediency of the ultrasonic measurements in studies of thermal injury are emphasized.

Cantrell, J. H., Jr.↗
NASA NTRS1989

Effect of the theta-alpha-Al2O3 transformation on the oxidation behavior of beta-NiAl+Zr

Isothermal oxidation of NiAl+Zr has been performed over the temperature range of 800-1200 C and studied by TGA, XRD, and SEM. A discontinuous decrease in growth rate of two orders of magnitude was observed at 1000 C due to the formation of alpha-Al2O3 from theta-Al2O3. This transformation also resulted in a dramatic change in the surface morphology of the scales, as a whisker topography was changed into a weblike network of oxide ridges and radial transformation cracks. It is believed that the ridges are evidence for a short-circuit outward aluminum diffusion growth mechanism that has been documented in a number of O-18 tracer studies.

Rybicki, George C.↗
DOE OSTI2025

Defect Diffusion Graph Neural Networks for Materials Discovery in High-Temperature Energy Applications

Here, the migration of crystallographic defects dictates material properties and performance for a plethora of technological applications. Density functional theory (DFT)-based nudged elastic band (NEB) calculations are a powerful computational technique for predicting defect migration activation energy barriers, yet they become prohibitively expensive for high-throughput screening of defect diffusivities. Without introducing hand-crafted (i.e., chemistry- or structure-specific) descriptors, we propose a generalized deep learning approach to train surrogate models for NEB energies of vacancy migration by hybridizing graph neural networks with transformer encoders and simply using pristine host structures as input. With sufficient training data, computationally efficient and simultaneous inference of vacancy defect thermodynamics and migration activation energies can be obtained to compute temperature-dependent vacancy diffusivities and to down-select candidates for more thorough DFT analysis or experiments. Thus, as we specifically demonstrate for potential water-splitting materials, candidates with desired defect thermodynamics, kinetics, and host stability properties can be more rapidly targeted from open-source databases of experimentally validated or hypothetical materials.

14 SOLAR ENERGY↗
NASA NTRS1982

Importance of heterogeneous processes to tropospheric chemistry - Studies with a one-dimensional model

A one-dimensional, time-dependent model of tropospheric air composition is developed which incorporates several heterogeneous physical and chemical processes. The model includes the interaction of gases, aerosols, and hydrometeors through the physical mechanisms of nucleation, condensation, evaporation, coagulation, coalescence, and deliquescence. Precipitation, sedimentation, and dry deposition act to remove material from the atmosphere, while chemical transformations occur both in the vapor and the condensed phases. The model also incorporates the sources and vertical diffusion of gases and particles, as well as changes in the solar intensity caused by light-scattering from aerosols and clouds. Preliminary simulations made using this model indicate that rainout and washout processes strongly influence the distributions of tropospheric gases and aerosols under certain conditions.

Turco, R. P.↗