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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Star formation thresholds in H II galaxies with H I companions

We present high resolution Very Large Array (VLA) 21 cm line observations of five H II galaxies combined with previous lower resolution data from Taylor et al. (1993) and optical broadband R and H-alpha Charge Coupled Device (CCD) images of the systems. Following Kennicutt (1989) we calculated the threshold H I surface density for star formation for the H II galaxies and compared the location and shape of this predicted threshold density contour with the optical shape of the galaxies. We find generally a good correlation between these two, although a constant density contour of 10(exp 21)/sq cm fits the images of the optical galaxies equally as well. The H I synthesis observations have revealed that the H II galaxies have sharply peaked H I radial profiles, in contrast to the relatively flattened profiles of low surface brightness (LSB) galaxies, suggesting that large central concentrations of gas are a necessary condition for the occurrence of bursts of massive star formation seen in H II galaxies. These observations are consistent with the hypothesis that LSB galaxies represent the quiescent phase of H II galaxies, if a suitable mechanism exists (such as galaxy interactions) to cause H I to concentrate at the center of LSB galaxies prior to the onset of the burst of star formation. However, it is noted that the H II galaxies (and dwarf galaxies in general) span a relatively large range in mass. Since many properties correlate with mass (e.g., gas mass fraction), we point out that great care needs to be taken in choosing the proper comparison samples of LSB and H II galaxies.

Taylor, Christopher L.↗
DOE OSTI2023

A data-driven method for modelling dissipation rates in stratified turbulence

We present a deep probabilistic convolutional neural network (PCNN) model for predicting local values of small-scale mixing properties in stratified turbulent flows, namely the dissipation rates of turbulent kinetic energy and density variance, $\varepsilon$ and $\chi$ . Inputs to the PCNN are vertical columns of velocity and density gradients, motivated by data typically available from microstructure profilers in the ocean. The architecture is designed to enable the model to capture several characteristic features of stratified turbulence, in particular the dependence of small-scale isotropy on the buoyancy Reynolds number $Re_b:=\varepsilon /(\nu N^2)$ , where $\nu$ is the kinematic viscosity and $N$ is the background buoyancy frequency, the correlation between suitably locally averaged density gradients and turbulence intensity and the importance of capturing the tails of the probability distribution functions of values of dissipation. Empirically modified versions of commonly used isotropic models for $\varepsilon$ and $\chi$ that depend only on vertical derivatives of density and velocity are proposed based on the asymptotic regimes $Re_b\ll 1$ and $Re_b\gg 1$ , and serve as an instructive benchmark for comparison with the data-driven approach. When trained and tested on a simulation of stratified decaying turbulence which accesses a range of turbulent regimes (associated with differing values of $Re_b$ ), the PCNN outperforms assumptions of isotropy significantly as $Re_b$ decreases, and additionally demonstrates improvements over the fitted empirical models. A differential sensitivity analysis of the PCNN facilitates a comparison with the theoretical models and provides a physical interpretation of the features enabling it to make improved predictions.

42 ENGINEERING↗
DOE OSTI2023

Faster spectral density calculation using energy moments

Abstract Accurate predictions of inclusive scattering cross sections in the linear response regime require efficient and controllable methods to calculate the spectral density in a strongly-correlated many-body system. In this work we reformulate the recently proposed Gaussian Integral Transform technique in terms of Fourier moments of the system Hamiltonian which can be computed efficiently on a quantum computer. One of the main advantages of this framework is that it allows for an important reduction of the computational cost by exploiting previous knowledge about the energy moments of the spectral density. For a simple model of medium mass nucleus like $$^{40}$$ 40 Ca and target energy resolution of 1 MeV we find an expected speed-up of $$\approx 125$$ ≈ 125 times for the calculation of the giant dipole response and of $$\approx 50$$ ≈ 50 times for the simulation of quasi-elastic electron scattering at typical momentum transfers.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1973

Water depth estimation with ERTS-1 imagery

Contrast-enhanced 9.5 inch ERTS-1 images were produced for an investigation on ocean water color. Such images lend themselves to water depth estimation by photographic and electronic density contouring. MSS-4 and -5 images of the Great Bahama Bank were density sliced by both methods. Correlation was found between the MSS-4 image and a hydrographic chart at 1:467,000 scale, in a number of areas corresponding to water depth of less than 2 meters, 5 to 10 meters and 10 to about 20 meters. The MSS-5 image was restricted to depths of about 2 meters. Where reflective bottom and clear water are found, ERTS-1 MSS-4 images can be used with density contouring by electronic or photographic methods for estimating depths to 5 meters within about one meter.

Ross, D. S.↗
NASA NTRS1977

Extragalactic sources with strong millimeter-wave emission

Observations at 90 GHz of a sample of 38 sources chosen to have flat or rising spectra between 0.318 and 5 GHz are reported. Roughly 25% of the sources were found to have flat or rising spectra between 5 and 90 GHz. The optical magnitude of each of the sources from the E print of the Palomar Sky Survey has also been estimated. Evidence is found for a correlation between the 90-GHz flux density and the optical magnitude, suggesting a relationship between the emission processes at these frequencies. Little evidence is found for a correlation between the low- and high-frequency spectral indices of the sources. This suggests that the sources tend to be opaque at centimeter wavelengths and optically thin at millimeter wavelengths. The properties of two of the more interesting sources are also discussed. Evidence is presented that strong millimeter activity may be generally associated with the BL Lac phenomenon.

Owen, F. N.↗
NASA NTRS1989

A rocket-borne measurement of interstellar dust emission at high galactic latitude

The diffuse brightness of the sky was measured in six submillimeter passbands, using a rocket-borne, liquid helium-cooled, absolute radiometer. The average brightness was reported which was observed in each of the passbands, and the dominant source of emission was tentatively identified in the three shortest wavelength bands as interstellar dust (ISD). Spacial structure was observed in these bands, as would be expected for emission from the ISD. The average column density of H I was calculated in each field of view along the scan path. All three bands show a significant correlation with H I. The obtained values are in excellent agreement with those computed for a mixture of graphite and silicate grains. A significant residual emission, not correlated with the H I column density, is evident in all three channels.

Lange, Andrew E.↗
DOE OSTI2024

Exchange–correlation entropy from the generalized thermal adiabatic connection

Warm dense matter is a highly energetic phase characterized by strong correlations, thermal effects, and quantum mechanical electrons. Thermal density functional theory is commonly used in simulations of this challenging phase, driving the development of temperature-dependent approximations to the exchange–correlation free energy. Approaches using the adiabatic connection formula are well known at zero temperature and have been recently leveraged at non-zero temperatures as well. In this work, a generalized thermal adiabatic connection (GTAC) formula is proposed, introducing a fictitious temperature parameter. This allows extraction of the exchange–correlation entropy S XC using simulated interaction strength scaling. Here, this procedure uses a Hellmann–Feynman approach to express the exchange–correlation entropy in terms of a temperature- and interaction strength-dependent exchange–correlation potential energy. In addition, analysis of S XC as a function of interaction strength suggests new forms for approximations, and GTAC itself offers a new framework for exploring both the exact and approximate interplay of temperature, density, and interaction strength across a wide range of conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Gravitational star formation thresholds and gas density in three galaxies

It has long been held that the star formation rate (SFR) may be described as a power law of the gas density, p(exp n), as given by Schmidt (1959). However, this relation has as yet remained poorly defined and is likewise poorly understood. In particular, most studies have been investigations of global gas and star formation properties of galaxies, due to lack of adequate high-resolution data for detailed studies of individual galaxies. The three spiral galaxies in this study have published maps of both H2 (as traced by CO), and HI, thereby enabling the authors to investigate the relationship between total gas surface density and SFR. The purpose of the present investigation is the comparison of spatially-resolved total surface gas density in three galaxies (NGC 6946, M51, and M83) to sigma sub c as given by the above model. CO, HI and H alpha data for NGC 6946 were taken from Tacconi-Garman (1988), and for M51 and M83 from Lord (1987). The authors used a CO-H2 conversion of N(H2)/I sub CO(exp cos i = 2.8 x 10(exp 20) atoms cm(-2)/(K kms(-1), and summed the H2 and HI data for each galaxy to obtain the total hydrogen gas density. This total was then multiplied by a factor of 1.36 to include the contribution of helium to the total surface gas density. The authors assumed distances to NGC 6946, M51, and M83 to be 6.0, 9.6, and 8.9 Mpc respectively, with inclination angles of 30, 20, and 26 degrees. H alpha flux was used as the measure of SFR for NGC 6946, and SFR for the remaining two galaxies was taken directly from Lord as computed from H alpha measurements. The results of these full-disk studies thus show a remarkable correlation between the total gas density and the threshold densities given by the gravitational stability criterion. In particular, the threshold density appears to mark a lower boundary to the range of gas densities in these galaxies, which may have consequence in determining appropriate models for star formation and gas dynamics. More evidence is required to verify this result, and the authors are currently undertaking a high-resolution study of the nearby spiral M33 and other galaxies to further investigate this problem.

Oey, M. S.↗
DOE OSTI2020

Thermodynamics of Metal Carbonates and Bicarbonates and Their Hydrates for Mg, Ca, Fe, and Cd Relevant to Mineral Energetics

The heats of formation of carbonate, bicarbonate and bicarbonate/hydroxide metal complexes and hydrated versions these complexes of Mg 2+ , Ca 2+ , Fe 2+ , and Cd 2+ are predicted from atomization energies using correlated molecular orbital theory at the CCSD(T) level extrapolated to the complete basis set limit following the Feller-Peterson-Dixon (FPD) approach. Using the calculated gas phase values and the available experimental solid state values, the cohesive energies of selected minerals were calculated. The gas phase decomposition energies into MO, CO 2 and H 2 O follow the order Mg ~ Ca > Cd ~ Fe, and correlate with the hardness of the metal +2 ions. Gas phase hydration energies show that the order is Mg > Fe > Ca ~ Cd. There are a number of bulk hydrated Mg and Ca complexes that occur as minerals but there are few if any for Fe and Cd, suggesting that a number of factors are important in determining the stability of the bulk mineral hydrates. The FPD heats of formation were used to benchmark a range of density functional theory exchange-correlation functionals, including those commonly used in solid state mineral calculations. None of the functionals provided chemical accuracy agreement (± 1 kcal/mol) with the FPD results The best functionals are ωB97X and ωB97X-D with mean average unsigned errors of 10 kcal/mol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Record high room temperature resistance switching in ferroelectric-gated Mott transistors unlocked by interfacial charge engineering

Abstract The superior size and power scaling potential of ferroelectric-gated Mott transistors makes them promising building blocks for developing energy-efficient memory and logic applications in the post-Moore’s Law era. The close to metallic carrier density in the Mott channel, however, imposes the bottleneck for achieving substantial field effect modulation via a solid-state gate. Previous studies have focused on optimizing the thickness, charge mobility, and carrier density of single-layer correlated channels, which have only led to moderate resistance switching at room temperature. Here, we report a record high nonvolatile resistance switching ratio of 38,440% at 300 K in a prototype Mott transistor consisting of a ferroelectric PbZr 0.2 Ti 0.8 O 3 gate and an R NiO 3 ( R : rare earth)/La 0.67 Sr 0.33 MnO 3 composite channel. The ultrathin La 0.67 Sr 0.33 MnO 3 buffer layer not only tailors the carrier density profile in R NiO 3 through interfacial charge transfer, as corroborated by first-principles calculations, but also provides an extended screening layer that reduces the depolarization effect in the ferroelectric gate. Our study points to an effective material strategy for the functional design of complex oxide heterointerfaces that harnesses the competing roles of charge in field effect screening and ferroelectric depolarization effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Crystalline solutions of the Kohn-Sham equations in the fractional quantum Hall regime

A Kohn-Sham density functional approach has recently been developed for the fractional quantum Hall effect, which maps the strongly interacting electrons into a system of weakly interacting composite fermions subject to an exchange correlation potential as well as a density dependent gauge field that mimics the "flux quanta" bound to composite fermions. To get a feel for the role of various terms, we study the behavior of the self-consistent solution as a function of the strength of the exchange correlation potential, which is varied through an ad hoc multiplicative factor. Here, we find that a crystal phase is stabilized when the exchange correlation interaction is sufficiently strong relative to the composite-fermion cyclotron energy. Various properties of this crystal are examined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

Global atomic hydrogen density derived from OGO-6 Lyman-alpha measurements

The paper analyzes a one-year set of Lyman-alpha airglow data measured in the local zenith at altitudes from 400 to 1100 km by a UV photometer aboard OGO-6. The zenith-intensity data are fitted to theoretical airglow calculations in four spherically symmetric models of the hydrogen geocorona to determine both the Ly-alpha solar flux at line center and the average atomic hydrogen column density. After correcting for a loss of instrument sensitivity, the Ly-alpha flux is found to be linearly correlated with daily Zurich sunspot number. It is also found that the hydrogen density is inversely correlated with Jacchia exospheric temperature, but the dependence is not that predicted by steady-state models with Jeans evaporative escape as the only loss mechanism. It is suggested that charge-exchange production of fast hydrogen atoms from 'hot' ionospheric protons might provide the additional loss this result requires.

Thomas, G. E.↗
DOE OSTI2023

Investigating the effect of aluminum oxide fixed charge on Schottky barrier height in molybdenum oxide-based selective contacts

A tunneling atomic layer deposited (ALD) AlO x layer was inserted in a Si|SiO x |AlO x |MoO x |metal tunnel diode structure to investigate the impact of fixed interface charge on Schottky barrier height. ALD AlO x provides a synthesis-tunable fixed charge and can provide excellent field effect passivation at the SiO x |AlO x interface. A large (>1 × 10 12 q.cm –2 ) negative fixed charge density was expected to decrease Schottky barrier height on p-type silicon and increase Schottky barrier height on n-type silicon by up to 0.4 eV based on an electrostatic model. Fixed charge density and interface trap state density were measured using a thick layer of AlO x in metal oxide semiconductor capacitor structures (MOSCAPs); Schottky barrier height and specific contact resistivity were measured using a tunneling-active layer of AlO x in contacted structures with MoO x . In some samples, HfO x interface layers were inserted between AlO x and silicon to quench the fixed negative charge. The Schottky barrier height was found to vary with processing conditions but did not have a strong correlation with expected fixed charge density. Here, while fixed charge may play a role in determining the Schottky barrier height, other parameters also have significant affect. Further work is needed to minimize contact resistivity and elucidate other factors impacting the Schottky barrier height.

14 SOLAR ENERGY↗
NASA NTRS1985

Massive superclusters as a probe of the nature and amplitude of primordial density fluctuations

It is pointed out that correlation studies of galaxy positions have been widely used in the search for information about the large-scale matter distribution. The study of rare condensations on large scales provides an approach to extend the existing knowledge of large-scale structure into the weakly clustered regime. Shane (1975) provides a description of several apparent massive condensations within the Shane-Wirtanen catalog, taking into account the Serpens-Virgo cloud and the Corona cloud. In the present study, a description is given of a model for estimating the frequency of condensations which evolve from initially Gaussian fluctuations. This model is applied to the Corona cloud to estimate its 'rareness' and thereby estimate the rms density contrast on this mass scale. An attempt is made to find a conflict between the density fluctuations derived from the Corona cloud and independent constraints. A comparison is conducted of the estimate and the density fluctuations predicted to arise in a universe dominated by cold dark matter.

Kaiser, N.↗
DOE OSTI2025

Electron-Ion Dynamics with Time-Dependent Density Functional Theory: Towards Predictive Solar Cell Modeling

This project focussed on two aspects of computational modeling with a view toward application for photovoltaic design: (i) increased reliability of exchange-correlation functionals in time-dependent density functional theory (TDDFT) (a method of choice of the calculation of electronic spectra and dynamics), especially for time-resolved non-perturbative dynamics, and (ii) the development of a practical but rigorously-based method for coupling electronic and nuclear motion via the exact-factorization (EF) approach (a relatively new framework for developing approximations).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Optical Properties of the Infinite-Layer La 1-x Sr x NiO 2 and Hidden Hund's Physics

We investigate the optical properties of the normal state of the infinite-layer La 1-x Sr x NiO 2 using density functional theory plus dynamical mean-field theory. We find a correlated metal which exhibits substantial transfer of spectral weight to high energies relative to the density functional theory. The correlations are not due to Mott physics, which would suppress the charge fluctuations and the integrated optical spectral weight as we approach a putative insulating state. Instead, we find the unusual situation, that the integrated optical spectral weight decreases with doping and increases with increasing temperature. We contrast this with the coherent component of the optical conductivity, which decreases with increasing temperature as a result of a coherence-incoherence crossover. Our studies reveal that the effective crystal field splitting is dynamical and increases strongly at low frequency. This leads to a picture of a Hund's metallic state, where dynamical orbital fluctuations are visible at intermediate energies, while at low energies a Fermi surface with primarily d x 2 -y 2 character emerges. The infinite-layer nickelates are thus in an intermediate position between the iron based high temperature superconductors where multiorbital Hund's physics dominates and a one-band system such as the cuprates. To capture this physics we propose a low-energy two-band model with atom centered e g states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗