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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
NASA NTRS1976

Remarks on the overall distribution of hydrogen in the galactic disk

Several current problems concerning the overall distribution of hydrogen in the galaxy are discussed in general terms. These problems include the degree of saturation characterizing low-latitude emission observations of HI, and the optical-depth corrections to the derived column and volume densities; the amount of fine-scale velocity and spatial structure diluted by the instrumental limitations of the presently available surveys; and the general problem of detailed mapping of the HI in the galaxy. Comparison is made between the distribution of HI and that of CO and several other galactic tracers. The galactic disk as defined by atomic hydrogen has a diameter fully twice as large as that defined by the ionized and molecular states of hydrogen, as well as by other molecules, supernova remnants, pulsars, gamma radiation, synchroton radiation, and the youngest stars. It is also less confined to the galactic equator than most of the other constituents. The degree of small-scale structure apparent in the molecular observations is much greater than in the HI observations. Parameters describing the small-scale structure were determined using Monte Carlo techniques to simulate the observations.

Burton, W. B.↗
NASA NTRS1977

Remarks on the overall distribution of hydrogen in the galactic disk

The degree of saturation characterizing low altitude emission observations of H(I) and the optical depth corrections to the derived column and volume densities are discussed. The amount of fine-scale velocity and spatial structure diluted by the instrumental limitations of the presently available surveys are described. The general problem of detailed mapping of H(I) in the galaxy is explored. Comparison is made between the distribution of H(I) and that of CO and several other galactic tracers. Atomic hydrogen is unique in its distribution, instead of being typical of many Population I constituents. As defined by atomic hydrogen, the galactic disk has a diameter fully twice as large as that defined by the ionized and molecular states of hydrogen, as well as by other molecules, supernova remnants, pulsars, gamma-radiation, synchroton radiation, and the youngest stars. It is also less confined to the galactic equator than most of the other constituents. The degree of small scale structure apparent in the molecular observations is much greater than that in the H(I) observations.

Burton, W. B.↗
DOE OSTI2023

Determining the influence of temperature and pressure on the structural stability in a polyurea elastomer

The structural response of amorphous elastomers to applied pressure and temperature is of significant interest given their potential for blast and impact protection applications. While understanding disordered structures is often challenging, this study focuses on the ordered correlations that are present at the atomic level even in amorphous materials. This local order was characterized in polyurea elastomers with two molecular weights up to 6 GPa and ~280 °C using in situ energy dispersive X-ray diffraction at the Advanced Photon Source via total scattering techniques. The resulting structure factors and pair distribution functions indicate that the applied pressure reduced the free volume but had little effect on covalent bonds for both molecular weights. Temperature-induced order-disorder transitions that occur readily at ambient pressures within the temperature range studied here were not observed, their onset likely delayed by the limited chain mobility associated with the free volume reduction. In conclusion, this study demonstrates that total scattering offers insights into the high-pressure structure of disordered polymers that are otherwise inaccessible using more conventional X-ray scattering techniques.

42 ENGINEERING↗
DOE OSTI2023

Investigating the Role of Defects in α-Pu Phase Transitions using Density Functional Theory

Before reaching its relatively low melting point of 913 K, plutonium undergoes six solid state phases: simple monoclinic alpha, body-centered monoclinic beta, face-centered orthorhombic gamma, face centered cubic delta, body-centered tetragonal delta-prime, and body-centered cubic epsilon phases. Due to their low symmetry, the monoclinic alpha and beta phases have not been studied extensively, however it has been previously hypothesized that the transition between alpha and beta is caused by defects in the lattices due to the incommensurate number of atoms. Additionally, the martensitic delta to alpha phase transformation in plutonium-gallium alloys induces an expanded alpha lattice known as alpha prime, most likely due to the insoluble gallium impurity atom. This work explores how defects such as plutonium interstitials and gallium interstitials and substitutionals may affect the alpha plutonium lattice, providing a better understanding of the mechanisms for the alpha-beta and martensitic phase transformations through density functional theory (DFT). Results indicate that plutonium interstitials within the alpha lattice induce beta features structurally and electronically, such as volume expansion and bonding changes, and gallium interstitials and substitutionals within the alpha lattice induce volume changes as observed experimentally in alpha prime.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Dielectric constant of liquid alkanes and hydrocarbon mixtures

The complex dielectric constants of n-alkanes with two to seven carbon atoms have been measured. The measurements were conducted using a slotted-line technique at 1.2 GHz and at atmospheric pressure. The temperature was varied from the melting point to the boiling point of the respective alkanes. The real part of the dielectric constant was found to decrease with increasing temperature and correlate with the change in the molar volume. An upper limit to all the loss tangents was established at 0.001. The complex dielectric constants of a few mixtures of liquid alkanes were also measured at room temperature. For a pentane-octane mixture the real part of the dielectric constant could be explained by the Clausius-Mosotti theory. For the mixtures of n-hexane-ethylacetate and n-hexane-acetone the real part of the dielectric constants could be explained by the Onsager theory extended to mixtures. The dielectric constant of the n-hexane-acetone mixture displayed deviations from the Onsager theory at the highest fractions of acetone. The dipole moments of ethylacetate and acetone were determined for dilute mixtures using the Onsager theory and were found to be in agreement with their accepted gas-phase values. The loss tangents of the mixtures exhibited a linear relationship with the volume fraction for low concentrations of the polar liquids.

NASA Program Exobiology↗
NASA NTRS2005

Strained Hydrocarbons as Potential Hypergolic Fuels

A storable combination of high-energy hypergolic fuel and oxidizer is advantageous to the future of reusable launch vehicles (RLVs). The combination will allow an increase in energy per unit volume of fuel and eliminate the need for an external ignition system. Strained systems have been studied as potential high-density fuels. Adding hypergolic functional groups, such as amino groups, to these hydrocarbons will potentially allow auto ignition of strained systems with hydrogen peroxide. Several straight chain amines and their strained counterparts containing an equivalent number of carbon atoms have been purchased and synthesized. These amines provide initial studies to determine the effects of fuel vapor pressure, strain energy, fuel miscibility, and amine substitution upon fuel ignition time and hypergolicity with hydrogen peroxide as an oxidizer.

Source record↗
DOE OSTI2022

Tomographic detection of photon pairs produced from high-energy X-rays for the monitoring of radiotherapy dosing

Measuring the radiation dose reaching a patient’s body is difficult. Here we report a technique for the tomographic reconstruction of the location of photon pairs originating from the annihilation of positron–electron pairs produced by high-energy X-rays travelling through tissue. We used Monte Carlo simulations on pre-recorded data from tissue-mimicking phantoms and from a patient with a brain tumour to show the feasibility of this imaging modality, which we named ‘pair-production tomography’, for the monitoring of radiotherapy dosing. We simulated three image-reconstruction methods, one applicable to a pencil X-ray beam scanning through a region of interest, and two applicable to the excitation of tissue volumes via broad beams (with temporal resolution sufficient to identify coincident photon pairs via filtered back projection, or with higher temporal resolution sufficient for the estimation of a photon’s time-of-flight). In addition to the monitoring of radiotherapy dosing, we show that image contrast resulting from pair-production tomography is highly proportional to the material’s atomic number. The technique may thus also allow for element mapping and for soft-tissue differentiation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS1982

Bulk formation of a metallic glass - Pd40Ni40P20

Molten spheroids of Pd40Ni40P20, of up to 0.53-cm minor diameter, were slowly cooled (1.4 K/s) on a fused silica surface under 10 to the -6 torr vacuum to a form which was entirely glassy except for some superficial crystallinity comprising less than 0.5% of the volume. The occurrence of crystallization was eliminated by subjecting the specimens to surface etching followed by a succession of heating and cooling cycles. The absence of crystallization in bulk was confirmed by X-ray diffraction, transmission electron microscopy, and calorimetry. Using the last technique, the heat of crystallization of the glass was measured to be 5.3 + or - 0.3 kJ/g atom.

Drehman, A. J.↗
NASA NTRSDate not supplied

Phosphate (U-Th)/He Thermochronology of Apollo 14 Melt Breccia 14311

Our ability to confidently characterize the impact history of the inner solar system is limited by discrepancies in radiometric dates and age interpretations for lunar rocks, impact melts, and recovered meteorites. It is therefore important to explore different thermally sensitive radiometric systems to unravel the timing and extent of the long term impact flux. Low-temperature thermochronology of lunar samples has the potential to provide more complementary geochronological datasets and further test dynamical models related to the evolution of the inner solar system (e.g., [1]). (U-Th)/He dating is based on the production of 4He atoms by radioactive alpha decay of U and Th (and to a lesser extent, Sm) in a crystal and the thermally activated volumetric diffusion of those 4He nuclides. At high temperatures, the crystal is an open system from which 4He can escape; at lower temperatures, 4He may be retained. This retention temperature depends on factors such as crystal structure and volume fraction of radiation damage in the crystal (e.g., [2, 3]), but is significantly lower for phosphate minerals compared to the diffusion of the radiogenic daughter products in other widely used chronometric systems (e.g., ~75°C in terrestrial apatite (U-Th)/He vs. ~500°C in apatite U-Th-Pb vs. ~900°C in zircon U-Th-Pb chronometry). Phosphate (U-Th)/He dating has been used to decipher peak temperatures and cooling rates related to terrestrial impact events (e.g., [4]). Pairing a low-temperature thermochronometer with higher-temperature approaches (i.e., a combined 207Pb-206Pb and (U-Th)/He approach), can therefore resolve multiple impact ages within a given sample or even grain. However, despite its potential, phosphate (U-Th)/He dating has not been reported on any lunar samples. Here we present the first lunar phosphate (U-Th)/He thermochronology on an Apollo 14 impact melt-breccia.

C A Diaz↗
DOE OSTI2020

Damped Ly α absorbers and atomic hydrogen in galaxies: the view of the GAEA model

ABSTRACT Using the GAEA semi-analytic model, we analyse the connection between Damped Ly α systems (DLAs) and H i in galaxies. Our state-of-the-art semi-analytic model is tuned to reproduce the local galaxy H i mass function, and that also reproduces other important galaxy properties, including the galaxy mass–gas metallicity relation. To produce catalogues of simulated DLAs we throw 105 random lines of sight in a composite simulated volume: dark matter haloes with log$(\frac{M_{200}}{ {\rm M}_{\odot }}) \ge 11.5$ are extracted from the Millennium Simulation, while for $9.2 \le \log (\frac{M_{200}}{ \mathrm{M}_{\odot }})\lt 11.5$ we use the Millennium II, and for $8 \le \log (\frac{M_{200}}{\mathrm{M}_{\odot }}) \lt 9.2$ a halo occupation distribution model. At 2 < z < 3, where observational data are more accurate, our fiducial model predicts the correct shape of the column density distribution function, but its normalization falls short of the observations, with the discrepancy increasing at higher redshift. The agreement with observations is significantly improved increasing both the H i masses and the disc radii of model galaxies by a factor of 2, as implemented ‘a posteriori’ in our 2M−2R model. In the redshift range of interest, haloes with $M_{200} \ge {10}^{11} \, \mathrm{M}_{\odot }$ give the major contribution to ΩDLA, and the typical DLA host halo mass is $\sim \!{10}^{11} \, \mathrm{M}_{\odot }$. The simulated DLA metallicity distribution is in relatively good agreement with observations, but our model predicts an excess of DLAs at low metallicities. Our results suggest possible improvements for the adopted modelling of the filtering mass and metal ejection in low-mass haloes.

Di Gioia, Serafina↗
NASA NTRS1994

A laser-based sizing/velocimetry technique to investigate the secondary atomization of aluminum gel propellants

A laser-based, forward-scatter diagnostic technique, employing a single laser sheet, has been developed to simultaneously measure the size and velocity of individual 10-150 micron droplets in a dilute polydisperse droplet stream (less than 1000 particles/cc) and to detect the presence of burning aluminum in these same droplets. Spectral emission from aluminum vapor in the 390-400 nm wavelength region is used as an indication of burning aluminum. The technique utilizes a 4-mm uniformly illuminated probe volume, eliminating trajectory-dependent particle sizing and size-dependent system detection bias. Particle sizing is based on a correlation of particle size with near-forward scattered light intensity. Calculations show average particle sizing variation to be within 3.5% over the expected range of refractive indices. Calibrations using a range of optical pinholes (10-100 micron) were used to verify the above sizing correlation.

Mueller, D. C.↗
DOE OSTI2022

Imaging Phase Segregation in Nanoscale Li x CoO 2 Single Particles

Li x CoO 2 (LCO) is a common battery cathode material that has recently emerged as a promising material for other applications including electrocatalysis and as electrochemical random access memory (ECRAM). During charge– discharge cycling LCO exhibits phase transformations that are significantly complicated by electron correlation. While the bulk phase diagram for an ensemble of battery particles has been studied extensively, it remains unclear how these phases scale to nanometer dimensions and the effects of strain and diffusional anisotropy at the single-particle scale. Understanding these effects is critical to modeling battery performance and for predicting the scalability and performance of electrocatalysts and ECRAM. Here we investigate isolated, epitaxial LiCoO 2 islands grown by pulsed laser deposition. After electrochemical cycling of the islands, conductive atomic force microscopy (c-AFM) is used to image the spatial distribution of conductive and insulating phases. Above 20 nm island thicknesses, we observe a kinetically arrested state in which the phase boundary is perpendicular to the Li-planes; we propose a model and present image analysis results that show smaller LCO islands have a higher conductive fraction than larger area islands, and the overall conductive fraction is consistent with the lithiation state. Thinner islands (14 nm), with a larger surface to volume ratio, are found to exhibit a striping pattern, which suggests surface energy can dominate below a critical dimension. When increasing force is applied through the AFM tip to strain the LCO islands, significant shifts in current flow are observed, and underlying mechanisms for this behavior are discussed. The c-AFM images are compared with photoemission electron microscopy images, which are used to acquire statistics across hundreds of particles. Finally, the results indicate that strain and morphology become more critical to electrochemical performance as particles approach nanometer dimensions.

25 ENERGY STORAGE↗
DOE OSTI2021

First principles calculations in support of Pu aging: calculating the effects of lattice imperfections on thermodynamics

Plutonium (Pu) has, in theory, well defined crystal structures: its atoms are arranged in regular spatial patterns. But Pu is radioactive, and as its nuclei decay those regular spatial patterns are interrupted. The interruptions are lattice imperfections, which are known to affect how materials respond to their environment. To adequately model Pu, we need to know which lattice imperfections are present, how they interact with each other, and how they affect the material’s response to its environment. The work presented here aims to use density functional theory (DFT) calculations to begin to answer the latter, in particular, how individual lattice imperfections affect measurable effects including thermal expansion (the change in volume in response to a change in temperature), heat capacity (the amount of thermal energy needed to change a material’s temperature), and elastic moduli (a material’s resistance to applied stresses). Pu poses many computational challenges. The $\textit{f}$ electrons require special attention. Of all the elements, Pu has the largest number of electrons that must be included in the calculations. Thermal effects require calculating the phonons (the lattice vibrations), which for systems containing lattice imperfections demand large, complex computational cells - but computational resources limit the size and complexity. With careful restructuring of how the calculations are performed, all these challenges have been met to enable calculations that provide insight into how lattice imperfections affect Pu’s response to its environment. Reported here are the computational challenges and the advances developed to meet them, along with the first results showing the strong effect that one prototype lattice imperfection (an interstitial Pu atom in a delta-phase Pu lattice) has on Pu’s response to its environment.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of Re and Al additions on the microstructure and mechanical properties of Nb-18Ti-12W alloy

Microstructure and mechanical properties at 25–1200 °C of new refractory alloys, Nb-18Ti-12W (NTW), Nb-18Ti-12W-5Re (NTW-R) and Nb-18Ti-12W-5Re-1Al (NTW-RA), all compositions are in atomic percent, are reported. The alloys are developed as an alternative to a denser, more expensive and difficult-to-process refractory alloy WC-3009. After production by arc melting and hot isostatic pressing at 1400 °C, 207 MPa for 3 h, the alloys have a BCC crystal structure with the average grain size of ~150–200 μm and contain low volume fraction of (Ti,N)-rich precipitates near grain boundaries. NTW shows excellent malleability at all studied temperatures. Its yield stress at 25 °C, 1000 °C and 1200 °C is 874 MPa, 353 MPa and 202 MPa, respectively. The NTW-R and NTW-RA alloys are stronger at all the studied temperatures; however, they lack in compression ductility at 25 °C. As a result, extensive deformation twinning and formation of intergranular voids precede the fracture of these two alloys at 25 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The Origin of Anomalous Density Behavior of Silica Glass

The anomalous density–temperature relationship of vitreous silica with low hydroxyl content is explained by the formation of medium-range ordering structure in the glass transition process. The ordered medium-range structure has the shape of a “nanoflake” and consists of two layers of SiO 4 tetrahedra, bonded by O atoms located in the middle of the structure. The nanoflakes interact with their surrounding structures through both covalent chemical bonds and van der Waals bonds. In the formation of the van der Waals bonds, the orientation of SiO 4 tetrahedra can change, which results in an increase in distance between the nanoflakes and their surrounding structures. Thus, there is a slight volume enlargement associated with the formation of nanoflakes. Since the nanoflakes’ formation starts at a temperature near 1480 °C, and the population of the nanoflakes grows continuously as temperature decreases until about 950 °C, the bulk volume of silica glass increases in the temperature range from about 1480 °C to 950 °C. Therefore, the density anomaly of silica glass can be explained as a byproduct of forming of medium-range ordering structure in the silica glass transition.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Adiabatic thermal models for planetary bodies

In a number of recent experiments it was found that the logarithmic derivative with respect to volume of the adiabatic temperature increase with pressure P to be an approximately constant quantity n. It was found that n decreases slightly with temperature, to be virtually unaffected by increasing pressure and to take values between 4 and 8 for a wide variety of materials. It is shown that these findings can be substantiated from thermodynamic arguments, finite strain theory, atomic potential theory and experimental data on the thermal expansion coefficient and the bulk modulus B. It will be shown that n is independent of pressure if it is exactly equal to dB/dP + 1. For these materials d log gamma/d log v = -1, where gamma is the thermodynamic Gruneisenparameter. It will increase with P during an isothermal transformation if n dB/dP + 1 and decrease of n dB/dP + 1. For most materials n is close to dB/dP and the changes will be slight if pressures do not become too extreme. During an adiabatic transformation n is virtually constant. Adiabatic thermal models for planetary bodies were calculated and are presented.

Spohn, T.↗
NASA NTRS2003

A New Fitting Procedure for the Blended He I 1083 nm Multiplet

The He I 1083 nm multiplet is a powerful tool for observing the outer solar atmosphere but is difficult to analyze because the lines are weak, highly variable, and spectrally blended, both internally and with other neighboring solar and telluric lines. After separation from nearby spectral features, two components of the He I multiplet are resolved. Fitting these lines with two unconstrained Gaussian profiles always gives a ratio of major to minor component of less than half the value which would be expected for optically thin lines. One possibility for explaining the discrepancy between the weakness of the lines and the ratio of the spectral components is to assume that the line formation regions are concentrated in laterally unresolved, optically thick structures with small filling factor. However, we present here a least-squares fitting technique using cubic splines with fixed breakpoints with the constraint that the blend is the sum of three identically shaped profiles shifted in wavelength according to the atomic structure of the blend and weighted by the corresponding statistics weights, in agreement with optically thin line formation. The basis functions for the fitting procedure have no built-in spectral symmetry or shape. The resulting underlying profiles tend to be asymmetric with excess absorption to the blue, consistent with formation by "hot" and "cool" spatial elements within the observed volume, with the hotter regions having differential motion toward the observer. The results agree well with NASA/XSO Spectromagnetograph observations in quiet sun and coronal holes. Partial funding of this research was provided through the NASA Sun-Earth Connection SR&T program.

Jones, H. P.↗
DOE OSTI2025

127 Xe quantification method development and intercomparison exercise

Monitoring of the atmosphere for fission products ( 131m Xe, 133m Xe, 133 Xe, and 135 Xe) is performed by various laboratories to detect nuclear explosions. Quantification of 127 Xe is not routinely performed by laboratories measuring atmospheric radioxenon because it is not a fission product. 127 Xe was recently detected by a ground-based beta-gamma air monitoring system. When measured using beta-gamma coincidence detector systems, such as those in use on the International Monitoring System (IMS) of the Comprehensive Nuclear-Test-Ban Treaty (CTBT), 127 Xe can interfere with the quantification of fission product radioxenon due to overlap of the 127 Xe beta-gamma coincidence signatures with those of fission product radioxenon. Here, this work demonstrates quantification of 127 Xe at different laboratories with different measurement techniques. Production and purification of 127 Xe was performed by neutron activation of enriched 126 Xe. The purified 127 Xe was then split between laboratories, and detection and quantification methods were developed. At Idaho National Laboratory, a quantification method involving high purity germanium detectors was devised that included self-attenuation correction. At AWE, a beta-gamma coincidence counting method, as used in support of the IMS, was modified to enable the measurement and analysis of the 127 Xe samples. Corrections were made for self-attenuation, which showed a strong xenon volume dependency, for some coincidence signatures. The gas sample activity concentration was used as the comparison metric and it showed excellent agreement between the methods.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗