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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements

Molecular structures of kerogen control hydrocarbon production in unconventional reservoirs. Significant progress has been made in developing model representations of various kerogen structures. These models have been widely used for the prediction of gas adsorption and migration in shale matrix. However, using density functional perturbation theory (DFPT) calculations and vibrational spectroscopic measurements, we here show that a large gap may still remain between the existing model representations and actual kerogen structures, therefore calling for new model development. Using DFPT, we calculated Fourier transform infrared (FTIR) spectra for six most widely used kerogen structure models. The computed spectra were then systematically compared to the FTIR absorption spectra collected for kerogen samples isolated from Mancos, Woodford and Marcellus formations representing a wide range of kerogen origin and maturation conditions. Limited agreement between the model predictions and the measurements highlights that the existing kerogen models may still miss some key features in structural representation. A combination of DFPT calculations with spectroscopic measurements may provide a useful diagnostic tool for assessing the adequacy of a proposed structural model as well as for future model development. This approach may eventually help develop comprehensive infrared (IR)-fingerprints for tracing kerogen evolution.

03 NATURAL GAS↗
NASA NTRS2007

TOPLA: A New Empirical Representation of the F-Region Topside and Plasmasphere for the International Reference Ionosphere

The goal of this LWS tools effort is the development of a new data-based F-region TOpside and PLAsmasphere (TOPLA) model for the electron density (Ne) and temperature (Te) for inclusion in the International Reference Ionosphere (IRI) model using newly available satellite data and models for these regions. The IRI model is the de facto international standard for specification of ionospheric parameters and is currently being considered as an ISO Technical Specification for the ionosphere. Our effort is directed towards improving the topside part of the model and extending it into the plasmasphere. Specifically we are planning to overcome the following shortcomings of the current IRI topside model: (I) overestimation of densities above 700 km by a factor of 2 and more, (3) unrealistically steep density profiles at high latitudes during very high solar activities, (4) no solar cycle variations and no semi-annual variations for the electron temperature, (5) discontinuities or unphysical gradients when merging with plasmaspheric models. We will report on first accomplishments and on the current status of the project.

Bilitza, D.↗
NASA NTRS2012

Model-based prognostics for batteries which estimates useful life and uses a probability density function

This invention develops a mathematical model to describe battery behavior during individual discharge cycles as well as over its cycle life. The basis for the form of the model has been linked to the internal processes of the battery and validated using experimental data. Effects of temperature and load current have also been incorporated into the model. Subsequently, the model has been used in a Particle Filtering framework to make predictions of remaining useful life for individual discharge cycles as well as for cycle life. The prediction performance was found to be satisfactory as measured by performance metrics customized for prognostics for a sample case. The work presented here provides initial steps towards a comprehensive health management solution for energy storage devices.

Saha, Bhaskar↗
DOE OSTI2019

Selective high-temperature CO 2 electrolysis enabled by oxidized carbon intermediates

High-temperature CO 2 electrolysers offer exceptionally efficient storage of renewable electricity in the form of CO and other chemical fuels, but conventional electrodes catalyse destructive carbon deposition. Ceria catalysts are known carbon inhibitors for fuel cell (oxidation) reactions; however, for more severe electrolysis (reduction) conditions, catalyst design strategies remain unclear. In this study, we establish the inhibition mechanism on ceria and show selective CO 2 to CO conversion well beyond the thermodynamic carbon deposition threshold. Operando X-ray photoelectron spectroscopy during CO 2 electrolysis—using thin-film model electrodes consisting of samarium-doped ceria, nickel and/or yttria-stabilized zirconia—together with density functional theory modelling, reveal the crucial role of oxidized carbon intermediates in preventing carbon build-up. Using these insights, we demonstrate stable electrochemical CO 2 reduction with a scaled-up 16 cm 2 ceria-based solid-oxide cell under conditions that rapidly destroy a nickel-based cell, leading to substantially improved device lifetime.

25 ENERGY STORAGE↗
DOE OSTI2018

Performance of the upgraded ultracold neutron source at Los Alamos National Laboratory and its implication for a possible neutron electric dipole moment experiment

We report the ultracold neutron (UCN) source at Los Alamos National Laboratory (LANL), which uses solid deuterium as the UCN converter and is driven by accelerator spallation neutrons, has been successfully operated for over 10 years, providing UCN to various experiments, as the first production UCN source based on the superthermal process. It has recently undergone a major upgrade. This paper describes the design and performance of the upgraded LANL UCN source. Measurements of the cold neutron spectrum and UCN density are presented and compared to Monte Carlo predictions. The source is shown to perform as modeled. The UCN density measured at the exit of the biological shield was 184(32) UCN / cm 3 , a fourfold increase from the highest previously reported. Finally, the polarized UCN density stored in an external chamber was measured to be 39(7) UCN / cm 3 , which is sufficient to perform an experiment to search for the nonzero neutron electric dipole moment with a one-standard-deviation sensitivity of σ(d n ) = 3 × 10 -27 e cm.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1975

Phase and amplitude relationships of wave structure observed in the lower thermosphere

Data from the Atmosphere Explorer-C satellite clearly exhibit wavelike variations in neutral composition, ion density, and electron temperature, which appear to be a general feature of the atmosphere. The neutral constituents do not exhibit uniform wave characteristics since the density variations of argon are approximately twice those of molecular nitrogen and helium structure has about one-half the amplitude of the N2 variation. The waves evident in the ion density are nearly in phase with the heavy neutrals, while the electron-temperature variations are predominantly out of phase with those in the ion density. A simple model is suggested to explain the neutral composition results, wherein the enhancements in the major gas densities are in phase with the vertical component of the perturbation velocity of the gas. The vertical velocity modifies the composition by transporting parcels of air to higher or lower regions where the composition is different. The phase relationship between density and velocity implies phase velocities (assuming that these are gravitational waves) of the order of 500 meters per sec.

Reber, C. A.↗
NASA NTRS1984

Dynamic model of the Earth's upper atmosphere

An initial modification to the MSF/J70 Thermospheric Model, in which the variations due to sudden geomagnetic disturbances upon the Earth's upper atmospheric density structure were modeled is presented. This dynamic model of the geomagnetic variation included is an improved version of one which SAO developed from the analysis of the ESRO 4 mass spectrometer data that was incorporated in the Jacchia 1977 model. The variation with geomagnetic local time as well as with geomagnetic latitude are included, and also the effects due to disturbance of the temperature profiles in the region of energy deposition.

Slowey, J. W.↗
NASA NTRS1995

Improvements and new features in the PDF module

This viewgraph presentation discusses what models are used in this package and what their advantages and disadvantages are, how the probability density function (PDF) model is implemented and the features of the program, and what can be expected in the future from the NASA Lewis PDF code.

Norris, Andrew T.↗
NASA NTRS1990

Aerobraking for capture into Martian orbit

A summary is given of several studies into problems associated with aerobraking a manned vehicle into a Martian capture orbit. The problems investigated are the establishment of entry flight path angle windows that allow aerocapture; the determination of the sensitivity of the entry trajectory to initial flight path angle; the determination of the effect on aerocapture of the assumed Martian atmosphere model; and the determination of the effect of random atmosphere disturbances on adaptive guidance systems that may be used for aerocapture. As a result of investigating the above problem areas, entry windows were established for three different vehicle configurations. Sensitivities to changes in initial flight path angle were also obtained for these three configurations. One configuration was chosen to determine the effect of Martian atmospheric model changes and random variations of density within a specific atmospheric model. Of particular interest was the effect of random density variations on adaptive guidance techniques. The effect of entry velocity on the size of the entry window was also examined.

Suit, William T.↗
DOE OSTI2024

Raccoon density estimation from camera traps for raccoon rabies management

Abstract Density estimation for unmarked animals is particularly challenging, yet density estimates are often necessary for effective wildlife management. Raccoons ( Procyon lotor ) are the primary terrestrial wildlife reservoir for Lyssavirus rabies within the United States. The raccoon rabies variant (RRVV) is actively managed at landscape scales using oral rabies vaccination (ORV) within the eastern United States. To effectively manage RRVV, it is important to know the density of raccoons to appropriately scale the density of ORV baits distributed on the landscape. We compared methods to estimate raccoon densities from camera‐trap data versus more intensive capture‐mark‐recapture (CMR) estimates across 2 land cover types (upland pine and bottomland hardwood) in the southeastern United States during 2019 and 2020. We evaluated the effect of alternative camera configurations and durations of camera trapping on density estimates and used an N‐mixture model to estimate raccoon densities, including covariates on abundance and detection. We further compared different methods of scaling camera‐based counts, with the maximum number of raccoons seen on any given image within a day best explaining density. Camera‐trap density estimates were moderately correlated with CMR estimates ( r = 0.56). However, densities from camera‐trap data were more reliable when classifying category of density as an index used to inform management (83% correct when compared to CMR estimates), although the densities in our study fell into the 2 lowest density classes only. Using more cameras reduced bias and uncertainty around density estimates; however, if ≤6 camera traps were used at a site, a line transect approach proved less biased than a grid design. Camera trapping should be conducted for at least 3 weeks for more accurate estimates of raccoon population density in our study area (<5% bias). We show that camera‐trap data can be used to assign raccoon densities to management‐relevant density index bins, but more studies are needed to ensure reliability across a greater range of environmental conditions and raccoon densities.

Davis, Amy J.↗
NASA NTRS1979

Solar C III line intensity ratios observed from Skylab

Solar observations of C III line intensity ratios are analyzed which were obtained by the Naval Research Laboratory extreme-ultraviolet slit spectrograph on Skylab from quiet and active regions, coronal holes, prominences, and a flare. Electron densities are determined by comparing the observed intensity ratios to their theoretical variation as a function of electron density and temperature. Both isothermal line ratios that are evaluated at a characteristic emitting temperature and ratios that are integrated through the temperature and density structure of a model solar atmosphere are calculated. The density-sensitive ratios R(Si IV 1402/C III 1908) and R(Si III 1892/C III 1908) are also used to derive additional values of electron density. It is found that the ratios R(C III 1247/C III 1908), R(Si IV 1402/C III 1908), and R(Si III 1892/C III 1908) give consistent values of electron density for each feature. The C III 1908-A, Si III 1892-A, and Si IV 1402-A lines have recently been observed from the IUE satellite in spectra of late-type stars, and can serve as practical density diagnostics that are independent of assumptions about the stellar surface gravity.

Cook, J. W.↗
NASA NTRS2017

ALMA Detection and Astrobiological Potential of Vinyl Cyanide on Titan

Recent simulations have indicated that vinyl cyanide is the best candidate molecule for the formation of cell membranes/vesicle structures in Titan's hydrocarbon-rich lakes and seas. Although the existence of vinyl cyanide (C2H3CN) on Titan was previously inferred using Cassini mass spectrometry, a definitive detection has been lacking until now. We report the first spectroscopic detection of vinyl cyanide in Titan's atmosphere, obtained using archival data from the Atacama Large Millimeter/submillimeter Array (ALMA), collected from February to May 2014. We detect the three strongest rotational lines of C2H3CN in the frequency range of 230 to 232 GHz, each with greater than 4 sigma confidence. Radiative transfer modeling suggests that most of the C2H3CN emission originates at altitudes of approx. greater than 200 km, in agreement with recent photochemical models. The vertical column densities implied by our best-fitting models lie in the range of 3.7 x 10(exp 13) to 1.4 x 10(exp 14) cm(exp −2). The corresponding production rate of vinyl cyanide and its saturation mole fraction imply the availability of sufficient dissolved material to form approx. 10(exp 7) cell membranes/cu cm in Titan's sea Ligeia Mare.

Palmer, Maureen Y.↗
DOE OSTI2017

Improved characterization of heterogeneous permeability in saline aquifers from transient pressure data during freshwater injection

Managing recharge of freshwater into saline aquifers requires accurate estimation of the heterogeneous permeability field for maximizing injection and recovery efficiency. Here we present a methodology for subsurface characterization in saline aquifers that takes advantage of the density difference between the injected freshwater and the ambient saline groundwater. We combine high-resolution forward modeling of density-driven flow with an efficient Bayesian geostatistical inversion algorithm. In the presence of a density difference between the injected and ambient fluids due to differences in salinity, the pressure field is coupled to the spatial distribution of salinity. This coupling renders the pressure field transient: the time evolution of the salinity distribution controls the density distribution which then leads to a time-evolving pressure distribution. We exploit this coupling between pressure and salinity to obtain an improved characterization of the permeability field without multiple pumping tests or additional salinity measurements. We show that the inversion performance improves with an increase in the mixed convection ratio—the relative importance between viscous forces from injection and buoyancy forces from density difference. Thus, our work shows that measuring transient pressure data at multiple sampling points during freshwater injection into saline aquifers can be an effective strategy for aquifer characterization, key to the successful management of aquifer recharge.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Discrete element modeling of switchgrass particles under compression and rotational shear

Switchgrass is a perennial herbaceous plant regarded as a biomass energy crop in the United States for its highadaptability and yield potential. Processing and handling of switchgrass particles are challenging due to the erratic mechanical and flow behavior originating from their intrinsic particulate properties. Here, we present a bonded-sphere discrete element model designed specifically for switchgrass particles. The model simultaneously captures three key particulate features, i.e., fibrous particle shapes, a wide range of particle sizes, and particle deformability. Realistic yet computationally efficient particle shape templates are created based on the image analysis data of switchgrass specimens. A fitting procedure is proposed to ensure both the particle width and length distributions are captured, a unique requirement for fibrous particles. Two full-scale numerical models, i.e., a uniaxial compression model and a Schulze ring shear model, are developed using information fromphysical experiments. The model is calibrated using experimental data of chopped-small switchgrass specimens, and then, is validated using data of chopped-large specimens in both compression and ring-shear tests. Numerical results show that the numerical models capture bulk densities accurately (with an error of 3%) while slightly underestimate the bulk friction angle. Furthermore, an extensive sensitivity analysis reveals that (1) switchgrass particles with rougher edges (due to different processing techniques) exhibit a higher shear strength and a lower flowability; (2) stiffer particles yield a lower bulk density (up to 21% lower) compared to more deformable particles, indicating particle deformability should be incorporated when modeling biomass flow in a preprocessing system.

09 BIOMASS FUELS↗
DOE OSTI2021

Helicon full-wave modeling with scrape-off-layer turbulence on the DIII-D tokamak

Helicon waves have been recently proposed as an off-axis current drive actuator due to their expected high current drive efficiency in the mid-radius region in high beta tokamaks. This paper focuses on a numerical study to better understand effects of scrape-off-layer (SOL) turbulence on helicon wave propagation and absorption on the DIII-D tokamak using a recently developed helicon full-wave model with turbulent density inputs from synthetic single wavelength SOL turbulence and first-principles HERMES multi-wavelength turbulence models. With both input turbulence models, three key effects are observed: the helicon wave can scatter to undesirable locations in the plasma, large helicon wave electric fields can form in localized regions near the SOL turbulence, and the helicon wave can mode convert to slow waves in the SOL. This is shown to cause helicon wave refraction to undesirable locations and strong helicon wave absorption in the SOL resulting in significantly less helicon wave power in the core plasma. Using synthetic SOL turbulence, the simulations additionally show that high amplitudes and long wavelengths greater than a few cm on average have the largest effect on modifying the helicon wave propagation and absorption; the modeling predicts, for example, that approximately 60% of helicon power can be absorbed in the SOL for $\tilde{n}$ /n ~ 0.8 and lambda_perp ~ 0.05 m. Here, several potential physical mechanisms that may explain the interaction of helicon waves with SOL turbulence in these simulations are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Fluctuating charge-density-wave correlations in the three-band Hubbard model

The high-temperature superconducting cuprates host unidirectional spin- and charge-density-wave orders that can intertwine with superconductivity in nontrivial ways. While the charge components of these stripes have now been observed in nearly all cuprate families, their detailed evolution with doping varies across different materials and at high and low temperatures. We address this problem using nonperturbative determinant quantum Monte Carlo calculations for the three-band Hubbard model. Using an efficient implementation, we can resolve the model’s fluctuating spin and charge modulations and map their evolution as a function of the charge transfer energy and doping. We find that the incommensurability of the charge modulations is decoupled from the spin modulations and decreases with hole doping, consistent with experimental measurements at high temperatures. These findings support the proposal that the high-temperature charge correlations are distinct from the intertwined stripe order observed at low-temperature and in the single-band Hubbard model.

42 ENGINEERING↗
DOE OSTI2022

Devices and methods for increasing the speed and efficiency at which a computer is capable of modeling a plurality of random walkers using a density method

A method for increasing a speed or energy efficiency at which a computer is capable of modeling a plurality of random walkers. The method includes defining a virtual space in which a plurality of virtual random walkers will move among different locations in the virtual space, wherein the virtual space comprises a plurality of vertices and wherein the different locations are ones of the plurality of vertices. A corresponding set of neurons in a spiking neural network is assigned to a corresponding vertex such that there is a correspondence between sets of neurons and the plurality of vertices, wherein a spiking neural network comprising a plurality of sets of spiking neurons is established. A virtual random walk of the plurality of virtual random walkers is executed using the spiking neural network, wherein executing includes tracking how many virtual random walkers are at each vertex at a given time increment.

Aimone, James Bradley↗