Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “HUBBARD MODEL”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 559 records · Page 31

Io-accelerated electrons - Predictions for Pioneer 10 and Pioneer 11

Based on a model in which electrons are accelerated to energies of 100 kiloelectron volts through sheaths associated with Io, predictions are made about energetic electrons to be observed by Pioneer 10 and Pioneer 11 in the Jovian magnetosphere. This energetic electron source may be distinguishable from the solar wind diffusion source by the radial flux profile and by the characteristic electron energies.

Shawhan, S. D.↗

Study of Radiative Heat Transfer and Flow Physics from Medium-scale Methanol Pool Fire Simulations [Slides]

Analysis of methanol pool fire conducted as part of validation study for SIERRA/Fuego. Radiation model was effectively calibrated by modifying radiation model parameters for methanol. Computing integrated buoyancy flux, entrainment rate, and turbulent kinetic energy allowed for evaluation of less typical quantities in this validation study. Quantities were compared with experimental data or correlations and generally showed agreement. TKE needed fine mesh to be computed accurately. Predicted flame height less sensitive to variations in mixture fraction than temperature. Mixture fraction is a preferable threshold variable for this application.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Near Noise Field of Static Jets and Some Model Studies of Devices for Noise Reduction

An experimental study is presented of the pressure fluctuations near jet exhaust streams made during unchoked operation of a turbojet engine and a 1-inch-diameter high-temperature model jet and during choked operation of various sizes of model jets with unheated air. The tests for unchoked operation indicate a random spectrum of rather narrow band width which varies in frequency content with axial position along the jet. Pressure surveys from the model tests along lines parallel to the 15 degree jet boundary indicate that the station of greatest pressure fluctuations is determined by the jet velocity and the radial distance, with a tendency of the maximum to shift downstream as either parameter is increased. From model tests the magnitude of the fluctuations appears to increase as about the second power of jet velocity at points just outside the jet boundary and as increasingly higher powers of jet velocity as distance from the boundary is increased. A laboratory method of noise reduction with model jets was found to produce large decreases in the magnitude of the lower-frequency components of the spectra and thereby also to reduce the total radiated energy. Choked operation of model jets with unheated air indicates the appearance of a discrete-frequency component of very large magnitude. Shadowgraph records of the flow show that this condition is associated with the appearance of flow formations suggestive of partly formed toroidal vortices in the vicinity of the shocks. Elimination of these formations is found to eliminate the discrete component and thereby to reduce the overall noise level.

Lassiter, Leslie W↗

Multitude of topological phase transitions in bipartite dice and Lieb lattices with interacting electrons and Rashba coupling

We report the results of a Hartree-Fock study applied to interacting electrons moving in two different bipartite lattices: the dice and the Lieb lattices, at half-filling. Both lattices develop ferrimagnetic order in the phase diagram U-λ, where U is the Hubbard on-site repulsion and λ is the Rashba spin-orbit coupling strength. Our main result is the observation of an unexpected multitude of topological phases for both lattices. All these phases are ferrimagnetic, but they differ among themselves in their set of six Chern numbers (six numbers because the unit cells have three atoms). Here, the Chern numbers |C| observed in our study range from 0 to 3, showing that large Chern numbers can be obtained by the effect of electronic correlations, adding to the recently discussed methodologies to increase |C| based on extending the hopping range in tight-binding models, using sudden quenches, or photonic crystals, all without including electronic interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Meanders as a scaling motif for understanding of floodplain soil microbiome and biogeochemical potential at the watershed scale

Abstract Background Biogeochemical exports from watersheds are modulated by the activity of microorganisms that function over micron scales. Here, we tested the hypothesis that meander-bound regions share a core microbiome and exhibit patterns of metabolic potential that broadly predict biogeochemical processes in floodplain soils along a river corridor. Results We intensively sampled the microbiomes of floodplain soils located in the upper, middle, and lower reaches of the East River, Colorado. Despite the very high microbial diversity and complexity of the soils, we reconstructed 248 quality draft genomes representative of subspecies. Approximately one third of these bacterial subspecies was detected across all three locations at similar abundance levels, and ~ 15% of species were detected in two consecutive years. Within the meander-bound floodplains, we did not detect systematic patterns of gene abundance based on sampling position relative to the river. However, across meanders, we identified a core floodplain microbiome that is enriched in capacities for aerobic respiration, aerobic CO oxidation, and thiosulfate oxidation with the formation of elemental sulfur. Given this, we conducted a transcriptomic analysis of the middle floodplain. In contrast to predictions made based on the prominence of gene inventories, the most highly transcribed genes were relatively rare amoCAB and nxrAB (for nitrification) genes, followed by genes involved in methanol and formate oxidation, and nitrogen and CO 2 fixation. Within all three meanders, low soil organic carbon correlated with high activity of genes involved in methanol, formate, sulfide, hydrogen, and ammonia oxidation, nitrite oxidoreduction, and nitrate and nitrite reduction. Overall, the results emphasize the importance of sulfur, one-carbon and nitrogen compound metabolism in soils of the riparian corridor. Conclusions The disparity between the scale of a microbial cell and the scale of a watershed currently limits the development of genomically informed predictive models describing watershed biogeochemical function. Meander-bound floodplains appear to serve as scaling motifs that predict aggregate capacities for biogeochemical transformations, providing a foundation for incorporating riparian soil microbiomes in watershed models. Widely represented genetic capacities did not predict in situ activity at one time point, but rather they define a reservoir of biogeochemical potential available as conditions change.

54 ENVIRONMENTAL SCIENCES↗

The Jovian surface condition and cooling rate

A theory which is almost fully analytic is used to investigate Jupiter's cooling rate. A simple model of contraction with adiabatic interior structure gives a total cooling time to the present in good agreement with the age of the solar system. The interplay between the surface condition and the cooling rate is discussed. The current rate of change of the effective temperature is calculated to be -1 K per 0.145 billion yr. Discrepancies with fully numerical investigations of the Jovian age and cooling rate are noted.

Hubbard, W. B.↗

Noise Considerations for Manned Reentry Vehicles

Noise measurements pertaining mainly to the static firing, launch, 0 and exit flight phases are presented for three rocket-powered vehicles 4 in the Project Mercury test program. Both internal and external data 4 from onboard recordings are presented for a range of Mach numbers and dynamic pressures and for different external vehicle shapes. The main sources of noise are noted to be the rocket engines during static firing and launch and the aerodynamic boundary layer during the high-dynamic-pressure portions of the flight. Rocket-engine noise measurements along the surface of the Mercury Big Joe vehicle were noted to correlate well with data from small models and available data for other large rockets. Measurements have indicated that the aerodynamic noise pressures increase approximately as the dynamic pressure increases and may vary according to the external shape of the vehicle, the highest noise levels being associated with conditions of flow separation. There is also a trend for the aerodynamic noise spectra to peak at higher frequencies as the flight Mach number increases.

Hilton, David A.↗

Direct and Inverse Photoelectron Spectroscopy Evidence for a Revised Picture of Electronic States of Negative Polarons in n‐Doped C 60

Abstract Determining the electronic levels associated with polarons, the fundamental charge carriers in organic semiconductors, is key to understanding the charge transport properties of these materials. Recent findings challenge the traditional view of these electronic levels by highlighting the importance of intra‐molecular Coulomb interactions in polarons. Experimental evidence was previously presented for a revised model of the negative polaron in the case of the polymer semiconductor poly(NDI2OD‐T 2 ); there, the addition of an excess electron was seen to lead to the emergence of a singly occupied state within the energy gap of the undoped material and an unoccupied state above the edge of the conduction states . Here, focus is on a small‐molecule semiconductor, C 60 , and spectral evidence is provided of a similar picture for the new states appearing upon polaron formation. Specifically, direct and inverse photoemission spectroscopy is used to investigate the density of states in C 60 films n‐doped with two dimeric dopants. The Coulomb interaction energy (Hubbard U ) of the C 60 anion is experimentally determined to be ≈1.1 eV, a value that aligns closely with theoretical predictions.

36 MATERIALS SCIENCE↗

Hysteresis Patterns of Watershed Nitrogen Retention and Loss Over the Past 50 years in United States Hydrological Basins

Patterns of watershed nitrogen (N) retention and loss are shaped by how watershed biogeochemical processes retain, biogeochemically transform, and lose incoming atmospheric deposition of N. Loss patterns represented by concentration, discharge, and their associated stream exports are important indicators of integrated watershed N retention behaviors. We examined continental United States (CONUS) scale N deposition (e.g., wet and dry atmospheric deposition), vegetation trends, and stream trends as potential indicators of watershed N-saturation and retention conditions, and how watershed N retention and losses vary over space and time. By synthesizing changes and modalities in watershed nitrogen loss patterns based on stream data from 2200 U.S. watersheds over a 50 years record, our work revealed two patterns of watershed N-retention and loss. One was a hysteresis pattern that reflects the integrated influence of hydrology, atmospheric inputs, land-use, stream temperature, elevation, and vegetation. The other pattern was a one-way transition to a new state. We found that regions with increasing atmospheric deposition and increasing vegetation health/biomass patterns have the highest N-retention capacity, become increasingly N-saturated over time, and are associated with the strongest declines in stream N exports—a pattern, that is, consistent across all land cover categories. We provide a conceptual model, validated at an unprecedented scale across the CONUS that links instream nitrogen signals to upstream mechanistic landscape processes. Our work can aid in the future interpretation of in-stream concentrations of DOC and DIN as indicators of watershed N-retention status and integrators of watershed hydrobiogeochemical processes.

58 GEOSCIENCES↗

Clean energy technology pathways from research to commercialization: Policy and practice case studies

Clean energy research and development (R and D) leading to commercial technologies is vital to economic development, technology competitiveness, and reduced environmental impact. Over the past 30 years, such efforts have advanced technology performance and reduced cost by leveraging network effects and economies of scale. After demonstrating promise in applied R and D, successful clean energy and energy efficiency technologies are incorporated into an initial product sold by the private sector. Despite its importance, processes by which first commercialization occurs are difficult to generalize while capturing specific insights from practitioners in markets and technologies. This paper presents a policy-focused qualitative assessment of the first commercialization of four diverse energy technologies: thin film photovoltaics, wind turbine blades, dual-stage refrigeration evaporators, and fuel cells for material handling equipment. Each technology presents distinct value propositions, markets, and regulatory drivers. The case studies indicate three common characteristics of successful first commercialization for new energy technologies: 1) good fit between the technology, R&D infrastructure, and public-private partnership models; 2) high degree of alignment of government regulations and R&D priorities with market forces; and 3) compatibility between time scales required for R&D, product development, and opportunities. These findings may inform energy investment decision-making, maximize benefits from R&D, and advance the transition to a low-emission future.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Data-driven approach to parameterize SCAN + U for an accurate description of 3 d transition metal oxide thermochemistry

Semilocal density-functional theory (DFT) methods exhibit significant errors for the phase diagrams of transition-metal oxides that are caused by an incorrect description of molecular oxygen and the large self-interaction error in materials with strongly localized electronic orbitals. Empirical and semiempirical corrections based on the DFT + U method can reduce these errors, but the parameterization and validation of the correction terms remains an on-going challenge. Here we develop a systematic methodology to determine the parameters and to statistically assess the results by considering interlinked thermochemical data across a set of transition metal compounds. We consider three interconnected levels of correction terms: (1) a constant oxygen binding correction, (2) Hubbard-U correction, and (3) DFT/DFT + U compatibility correction. The parameterization is expressed as a unified optimization problem. We demonstrate this approach for 3d transition metal oxides, considering a target set of binary and ternary oxides. With a total of 37 measured formation enthalpies taken from the literature, the dataset is augmented by the reaction energies of 1710 unique reactions that were derived from the formation energies by systematic enumeration. To ensure a balanced dataset across the available data, the reactions were grouped by their similarity using clustering and suitably weighted. The parameterization is validated using leave-one-out cross validation (CV), a standard technique for the validation of statistical models. We apply the methodology to the strongly constrained and appropriately normed (SCAN) density functional. Based on the CV score, the error of binary (ternary) oxide formation energies is reduced by 40% (75%) to 0.10 (0.03) eV/atom. A simplified correction scheme that does not involve SCAN/SCAN + U compatibility terms still achieves an error reduction of 30% (25%). The method and tools demonstrated here can be applied to other classes of materials or to parameterize the corrections to optimize DFT + U performance for other target physical properties.

36 MATERIALS SCIENCE↗

Evolution and infrared spectra of brown dwarfs

Self-consistent models are constructed for the structure, evolution, and observable properties of degenerately cooling objects, or 'brown dwarfs'. Model atmospheres composed of a range of likely gaseous and particulate opacity sources are calculated in order to provide a boundary condition for interior temperature-pressure profiles and to determine the emergent spectra for such objects. The radius derived from the interior models is combined with the emergent fluxes calculated from the atmosphere model to fit the data of McCarthy, Probst, and Low (1985) and to derive the luminosity and mass of VB 8B. The latter is found to be most probably an 0.05 solar mass object with effective temperature in the 1200-1500 K range and an atmosphere which very likely contains particulate absorbers. Key changes in chemical oxidation state and condensation of major constituents during the evolution of brown dwarfs are presented.

Lunine, Jonathan I.↗

Results from a Si(Li) gamma ray detector stack for future Mars missions

We present Monte Carlo analysis and experimental data from a novel lithium-drifted silicon detector stack for gamma ray spectroscopy instrumentation in future Mars surface landers and other planetary missions. The Monte Carlo analysis shows full energy photopeaks even in the range of about 100 keV to 2 MeV where, in Si, Compton scattering dominates the absorption processes. Laboratory data is shown for an experimental detector stack of four planar Si(Li) devices, each 5 mm thick with an active area 2 cm in diameter. All the experimental data were collected with maximum temperature of the stack at 175 K. Background reduction is achieved by using the detector of the stack closest to the source in anticoincidence. We present a comparison of experimental data from the stack with the Monte Carlo model for Cs-137 (662 keV). Agreement is shown to be good, with a full energy photopeak clearly seen (FWHM about 10 keV). Experimental stack data is also shown for multiple peaks at 511 keV (Na-22) and 662 keV (Cs-137). The peaks are clearly resolved (FWHM 10 keV), and are compared with the results obtained using a 8 percent resolution, 3 in. x 3 in. NaI(TI) device (FWHM about 50 keV).

Hubbard, G. S.↗

Some Effects of Frequency on the Contribution of a Vertical Tail to the Free Aerodynamic Damping of a Model Oscillating in Yaw

The damping in yaw and the directional stability of a model freely oscillating in yaw were measured tail-off and tail-on and compared with the values obtained by theoretical consideration of the unsteady lift associated with an oscillating vertical tail. A range of low frequencies comparable to those of the lateral motions of airplanes was covered. The analysis includes the effects of vertical-tail aspect ratio and the two-dimensional effects of compressibility.

Bird, John D↗

Structure of scintillations in Neptune's occultation shadow

An exceptionally high-quality data set from a Neptune occultation is used here to derive a number of new results about the statistical properties of the fluctuations of the intensity distribution in various parts of Neptune's occultation shadow. An approximate numerical ray-tracing model which successfully accounts for many of the qualitative aspects of the observed intensity fluctuation distribution is introduced. Strong refractive scintillation is simulated by including the effects of 'turbulence' with projected atmospheric properties allowed to vary in both the direction perpendicular and parallel to the limb, and an explicit two-dimensional picture of a typical intensity distribution throughout an occulting planet's shadow is presented. The results confirm the existence of highly anisotropic turbulence.

Hubbard, W. B.↗

Effect of the Jovian oblateness on Pioneer 10/11 radio occultations

The oblateness of Jupiter, which was neglected in the standard inversion technique for radio occultation data, has a substantial effect on the refractivity profiles of the neutral Jovian atmosphere derived from the Pioneer 10/11 occultations. The geometry of the Pioneer 10 entry and exit occultations has the effect that oblateness should account for much of the discrepancy of the results with plausible atmospheric models. The effect of the oblateness on Pioneer 11 entry is smaller, where much of the discrepancy could be due to other effects, such as cycle-slip in the spacecraft transponder. Theory indicates that the Pioneer 11 exit occultation should be affected by the oblateness in the opposite sense from the first three occultations; and, indeed, the data which had not been invertible under the spherical assumption produced reasonable results when an oblateness correction was applied.

Hubbard, W. B.↗

Observations of Uranus occultation events

An analysis of photometric data obtained during the Uranus appulse to SAO 158687 shows three occultation events which appear to coincide with portions of the Uranian ring system. Two occultation events were associated with the alpha ring and one with the beta ring of the planet; the alpha ring event suggests a ring model with a random distribution of occulting bodies of about 1 km diameter, and an areal density of about 50% over a band 10 km wide. Calculations indicate that neither the inner nor outer rings of the planet are truly concentric circles (to within their radius). In addition, determination of the ring centers can be used to locate the center of mass of the planet, and an upper limit of 26,300 km can be assigned to its radius.

Hubbard, W. B.↗

The relationships between geology and soil chemistry at the Apollo 17 landing site

Within the wide compositional range of the Apollo 17 soils, three distinct chemical groups have been recognized, each one corresponding broadly with a major geological and physiographic unit. These groups are: (1) Valley Floor type soils, (2) South Massif type soils, and (3) North Massif type soils. The observed chemical variations within and between these three groups is interpreted by means of mixing models in terms of lateral transport and mixing of prevailing local rock types, such as high-titanium basalts, KREEP-like noritic breccias, anorthositic gabbro breccias and orange glass. According to these models, North Nassif types evolved on the lower slopes of the North Massif and Sculptured Hills where anorthositic gabbro predominates over noritic breccia and where lateral mixing with basalt is effective, whereas the South Massif type soils originally developed on the upper slopes of the South Massif, where anorthositic breccia and noritic breccias are equally abundant, and where lateral mixing with basalt was minimal.

Rhodes, J. M.↗