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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Lagrangian mixed layer modeling of the western equatorial Pacific

Processes that control the upper ocean thermohaline structure in the western equatorial Pacific are examined using a Lagrangian mixed layer model. The one-dimensional bulk mixed layer model of Garwood (1977) is integrated along the trajectories derived from a nonlinear 1 1/2 layer reduced gravity model forced with actual wind fields. The Global Precipitation Climatology Project (GPCP) data are used to estimate surface freshwater fluxes for the mixed layer model. The wind stress data which forced the 1 1/2 layer model are used for the mixed layer model. The model was run for the period 1987-1988. This simple model is able to simulate the isothermal layer below the mixed layer in the western Pacific warm pool and its variation. The subduction mechanism hypothesized by Lukas and Lindstrom (1991) is evident in the model results. During periods of strong South Equatorial Current, the warm and salty mixed layer waters in the central Pacific are subducted below the fresh shallow mixed layer in the western Pacific. However, this subduction mechanism is not evident when upwelling Rossby waves reach the western equatorial Pacific or when a prominent deepening of the mixed layer occurs in the western equatorial Pacific or when a prominent deepening of the mixed layer occurs in the western equatorial Pacific due to episodes of strong wind and light precipitation associated with the El Nino-Southern Oscillation. Comparison of the results between the Lagrangian mixed layer model and a locally forced Eulerian mixed layer model indicated that horizontal advection of salty waters from the central Pacific strongly affects the upper ocean salinity variation in the western Pacific, and that this advection is necessary to maintain the upper ocean thermohaline structure in this region.

Shinoda, Toshiaki↗
DOE OSTI2023

Integrated control of edge localized modes and divertor flux using mixed toroidal harmonic resonant magnetic perturbations in EAST

Mixed harmonic resonant magnetic perturbations (RMPs) for integrated edge localized modes (ELMs) and divertor flux control are demonstrated in EAST target plasmas of low input torque and normalized beta β N ~1.7–1.9, which are close to the equivalent value in ITER high Q operation. The applied RMPs are designed to combine a static harmonic of the toroidal mode number n = 3 with a static or rotating harmonic of n = 2. ELM suppression is achieved without a drop of plasma energy confinement, and tungsten concentration is effectively reduced during the application of RMPs. With mixed harmonics, the toroidal varying steady state heat and particle fluxes on the divertor target can be modified with the rotating n = 2 harmonic, which agrees with the numerical modeling of three-dimensional magnetic topology, with plasma responses being taken into account. ELM suppression correlates with the times of larger n = 3 response with mixed n = 2 and n = 3 RMPs. The mixture of harmonics and the rotating n = 2 harmonic does not require additional coil current because the variation is only in the upper-lower coil current phase space. Furthermore, these results further affirm the effectiveness of integrated ELM and divertor flux control using RMPs with mixed harmonics and improve the understanding of the role of plasma responses in ELM suppression.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2023

An Assessment of Stratospheric Water Vapor Trends and Variations Above the Boulder Region

This study analyzes time series of stratospheric water vapor (SWV) data at 30 hPa, based on frost-point hygrometer (FPH) measurements at Boulder, CO (40°N, 255°E), and on sets of HALOE scans above that region for 1993 through 2005; their differing trends agree with previously published findings. Yet, there is an apparent switch over in 2002 from positive to negative trends in the HALOE time series, and that change follows the episodic decrease of tropical, lower stratospheric SWV in early 2001. The HALOE data points only resolve medium to large scale spatial variations, as they are based on an average of four or more limb scans within a latitude/longitude sector near Boulder. The FPH time series do not indicate a similar change of trend in 2002, although its time series points have variations about the mean that are twice as large as those from HALOE. The FPH soundings are sensitive to variations from all spatial scales, however, including the effects of a local vertical mixing of the air due to gravity waves. The vertical gradient SWV mixing ratio with altitude is positive at 30 hPa. There is also a positive trend in methane and its conversion to water vapor during this time that may explain a slightly larger SWV trend from the local FPH data than from the HALOE data. The Nimbus 7 LIMS experiment provides daily SWV plots at medium to large scales during the dynamically active, winter and springtime periods, for assessing the effects of meridional transport of SWV from its source regions. There is transport of high SWV from polar regions and of lower SWV from the subtropics at those times. SWV variations and trends from both the FPH and HALOE time series are reasonable and in accord with the spatial scales that they observed.

Ellis Remsberg↗
NASA NTRS2011

Laser Heterodyne Radiometer for Sensitive Detection of CO2 and CH4

We propose to develop an inexpensive, miniaturized, passive laser heterodyne radiometer (LHR) using commercially available telecommunications laser components to measure two significant carbon cycle gases in the atmospheric column: carbon dioxide (CO2) and methane (CH4). This instrument would operate in tandem with the passive aerosol sensor currently used in AERONET (an established network of more than 450 ground aerosol monitoring instruments worldwide). Because aerosols induce a radiative effect that influences terrestrial carbon exchange, simultaneous detection of aerosols with these key carbon cycle gases offers a uniquely comprehensive measurement approach that supports the Decadal Survey. Laser heterodyne radiometry is a technique for detecting weak signals that was adapted from radio receiver technology. In a radio receiver, a weak input signal from a radio antenna is mixed with a stronger local oscillator signal. The mixed signal (beat note, or intermediate frequency) has a frequency equal to the difference between the input signal and the local oscillator. The intermediate frequency is amplified and sent to a detector that extracts the audio from the signal. In a laser heterodyne radiometer, the weak input signal is light that has undergone absorption by a trace gas. The local oscillator is a laser at a near-by frequency - in this case a low-cost distributed feedback (DFB) telecommunications laser. These two light waves are superimposed in either a beamsplitter or in a fiber coupler (as is the case in this design). The signals are mixed in the detector, and the RF beat frequency is extracted. Changes in concentration of the trace gas are realized through analyzing changes in the beat frequency amplitude. A schematic of the progression of the LHR development project is shown in the figure below. At the center (within the dashed line), light from the local oscillator is superimposed upon light that has undergone absorption by a trace gas, in a single mode fiber coupler. Superimposed light is mixed in a fast photoreceiver, and the beat signal is analyzed for changes in absorption. The left portion of the figure depicts a progression of light sources that pass through the trace gas, increasing in complexity in the downward direction. On the right side of the figure, RF signal processing progresses from a commercially available spectrum analyzer to a RF receiver, and finally to an RF filter bank to deconvolute portions of the beat frequency more heavily weighted for different altitudes.

Wilson, Emily L.↗
DOE OSTI2025

Mixing by internal gravity waves in stars: assessing numerical simulations against theory

ABSTRACT Here we present a study of radial chemical mixing in non-rotating massive main-sequence stars driven by internal gravity waves (IGWs), based on multidimensional hydrodynamical simulations with the fully compressible code MUSIC. We examine two proposed mechanisms of material mixing in stars by IGWs that are commonly quoted, relating to thermal diffusion and sub-wavelength shearing. Thermal diffusion provides a non-restorative effect to the waves, leaving material displaced from its previous equilibrium, while shearing arising within the waves drives weak localized flows, mixing the fluid there. Using IGW spectra from the simulations, we evaluate theoretical predictions of mixing rates due to these mechanisms. We show, for $20\, \mathrm{M}_\odot$ main-sequence stars, that neither of these mechanisms are likely to create mixing sufficient to correct inaccuracies in current stellar evolution models. Furthermore, we compare these predictions to results obtained from Lagrangian tracer particles, following a method recently used for global simulations of stellar interiors to measure mixing by IGWs in their radiative zones. We demonstrate that tracer particle methods face significant numerical challenges in measuring the small diffusion coefficients predicted by the aforementioned theories, for which they are prone to yielding artificially enhanced coefficients. Diffusion coefficients based on such methods are currently used with stellar evolution codes for asteroseismic studies, but should be viewed with caution. Finally, in a case where tracer particles do not suffer from numerical artefacts, we suggest that a diffusion model is not suitable for time-scales typically considered by 2D numerical simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1984

Petrologic comparisons of Cayley and Descartes on the basis of Apollo 16 soils from stations 4 and 11

Petrologic aspects of the Cayley and Descartes formations are reviewed in the light of new data on Apollo 16 soils. Specific comparison of the modal abundances of lithic fragments in drive tube sample 64001/2 from the slopes of Stone Mountain (station 4) and in soil 67941 from the North Ray Crater rim (station 11) shows that melt rocks, especially poikilitic rocks, are more abundant at station 4 than at station 11; the reverse is true for fragmental breccias. Such lithologic differences suggest that stations 4 and 11 do not belong to the same geologic formation. Metamorphosed breccias are pervasive in both the formations and may represent a local component that has been reworked and diluted as fresh materials were added. Lithologic compositions inferred from the study of soil samples are different from lithologic compositions inferred from the study of rake samples or breccia clasts. This difference may be related to a mixing of material of different grain size distributions. The petrology of soils at the Apollo 16 site may not accurately reflect original material associated with either the Descartes or the Cayley formation because of extensive mixing with local material.

Basu, A.↗
NASA NTRS1993

A theory of nonlocal mixing-length convection. I - The moment formalism

A flexible and potentially powerful theory of convection, based on the mixing length picture, is developed to make unbiased self-consistent predictions about overshooting and other complicated phenomena in convection. The basic formalism is set up, and the method's power is demonstrated by showing that a simplified version of the theory reproduces all the standard results of local convection. The second-order equations of the theory are considered in the limit of a steady state and vanishing third moments, and it is shown that they reproduce all the standard results of local mixing-length convection. There is a particular value of the superadiabatic gradient, below which the only possible steady state of a fluid is nonconvecting. Above this critical value, a fluid is convectively unstable. Two distinct regimes of convection, which are identified as efficient and inefficient convection, are determined.

Grossman, Scott A.↗
NASA NTRS2012

Miniaturized Laser Heterodyne Radiometer (LHR) for Measurements of Greenhouse Gases in the Atmospheric Column

This passive laser heterodyne radiometer (LHR) instrument simultaneously measures multiple trace gases in the atmospheric column including carbon dioxide (CO2) and methane (CH4), and resolves their concentrations at different altitudes. This instrument has been designed to operate in tandem with the passive aerosol sensor currently used in AERONET (an established network of more than 450 ground aerosol monitoring instruments worldwide). Because aerosols induce a radiative effect that influences terrestrial carbon exchange, simultaneous detection of aerosols with these key carbon cycle gases offers a uniquely comprehensive measurement approach. Laser heterodyne radiometry is a technique for detecting weak signals that was adapted from radio receiver technology. In a radio receiver, a weak input signal from a radio antenna is mixed with a stronger local oscillator signal. The mixed signal (beat note, or intermediate frequency) has a frequency equal to the difference between the input signal and the local oscillator. The intermediate frequency is amplified and sent to a detector that extracts the audio from the signal. In the LHR instrument described here, sunlight that has undergone absorption by the trace gas is mixed with laser light at a frequency matched to a trace gas absorption feature in the infrared (IR). Mixing results in a beat signal in the RF (radio frequency) region that can be related to the atmospheric concentration. For a one-second integration, the estimated column sensitivities are 0.1 ppmv for CO2, and <1 ppbv for CH4. In addition to producing a standalone ground measurement product, this instrument could be used to calibrate/validate four Earth observing missions: ASCENDS (Active Sensing of CO2 Emissions over Nights, Days, and Seasons), OCO-2 (Orbiting Carbon Observatory), OCO-3, and GOSAT (Greenhouse gases Observational SATellite). The only network that currently measures CO2 and CH4 in the atmospheric column is TCCON (Total Carbon Column Observing Network), and only two of its 16 operational sites are in the United States. TCCON data is used for validation of GOSAT data, and will be used for OCO-2 validation. While these Fourier-transform spectrometers (FTS) can measure the largest range of trace gases, the network is severely limited due to the high cost and extreme size of these instruments (these occupy small buildings and require personnel for operation). The LHR/AERONET instrument offers a significantly smaller (carry-on luggage size) autonomous instrument that can be incorporated into AERONET s much larger (450 instruments) global network.

Steel, Emily↗
NASA NTRS1979

Isotopic heterogeneities in the solar system - Special report

The paper discusses the nature of isotopic anomalies in solar system material with emphasis on correlated anomalies in refractory elements. Evidence for the existence of short-lived radioactive nuclides in the early solar system is used to estimate the time scale for the last injection of freshly synthesized nuclear material. It is shown that the early solar nebula was incompletely mixed and contained debris which was injected from a stellar source at most a few million years prior to the formation of the solar system. The average solar system material consists of ambient interstellar material deficient in certain nuclear species to which a small fraction of freshly synthesized material was added. The isotopic variations reflect slightly different proportions of nuclei from different stellar sources which were locally well mixed and homogenized prior to or during the formation of the early solar nebula condensates.

Wasserburg, G. J.↗
DOE OSTI2021

A Deep Learning Modeling Framework to Capture Mixing Patterns in Reactive-Transport Systems

Prediction and control of chemical mixing are vital for many scientific areas such as subsurface reactive transport, climate modeling, combustion, epidemiology, and pharmacology. Due to the complex nature of mixing in heterogeneous and anisotropic media, the mathematical models related to this phenomenon are not analytically tractable. Numerical simulations often provide a viable route to predict chemical mixing accurately. However, contemporary modeling approaches for mixing cannot utilize available spatial-temporal data to improve the accuracy of the future prediction and can be compute-intensive, especially when the spatial domain is large and for long-term temporal predictions. To address this knowledge gap, in this work we will present in this paper a deep learning (DL) modeling framework applied to predict the progress of chemical mixing under fast bimolecular reactions. This framework uses convolutional neural networks (CNN) for capturing spatial patterns and long short-term memory (LSTM) networks for forecasting temporal variations in mixing. By careful design of the framework—placement of non-negative constraint on the weights of the CNN and the selection of activation function, the framework ensures non-negativity of the chemical species at all spatial points and for all times. Our DL-based framework is fast, accurate, and requires minimal data for training. The time needed to obtain a forecast using the model is a fraction (≈ O(-6)) of the time needed to obtain the result using a high-fidelity simulation. To achieve an error of 10% (measured using the infinity norm) for capturing local-scale mixing features such as interfacial mixing, only 24% to 32% of the sequence data for model training is required. To achieve the same level of accuracy for capturing global-scale mixing features, the sequence data required for model training is 64% to 70% of the total spatial-temporal data. Hence, the proposed approach—a fast and accurate way to forecast long-time spatial-temporal mixing patterns in heterogeneous and anisotropic media—will be a valuable tool for modeling reactive-transport in a wide range of applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Efficient carbon capture using sub-textured polymer packing surfaces via 3D printing

Gas absorption is a common unit operation whose performance deeply relies on the gas liquid contact behavior. In this work, we report a solid polymeric surface feature containing microscale striation to improve the solid-liquid and gas-liquid contact and facilitate mass transfer. As a proof of concept, the surface feature is adopted for CO 2 capture absorber packing via 3D printing. Besides traditional embossing texture, an additional laminar striation is applied to the packing surface as a sub-texture. The packing shows notable CO 2 mass transfer increase without interfering with other key operating characteristics including pressure drop and liquid holdup. The improvement is based on the synergy of favorable wettability, thin liquid film and increased liquid mixing from rougher surface. In the demonstration test, the packing height could decrease by 33% using the advanced packing with same CO 2 removal, leading to a significant decrease in equipment size and capital expense for commercial CO 2 capture systems.

3D printing↗
DOE OSTI2024

Impact of LWR assembly structural features on cladding burst behavior under LOCA conditions

This provides an initial scoping study on clad balloon and burst behavior for burnup extension of reactor fuel. The associated issues with burnup extension are fuel fragmentation, relocation, and dispersal in the event of cladding failure. The general finding of this work is that the structural features, spacer grids and mixing vanes, locally suppress cladding deformation but have little impact on the overall clad performance during loss-of-coolant accidents. The work detailed in a previous report by Capps et al. focused on core optimization via neutronics, thermal hydraulics and thermomechanical analysis for burnups beyond 62 GWD/tU and enrichments above 5%. Uncertainty of fuel fragmentation relocation and dispersal in high-burnup rods during accident conditions was also investigated. The dispersal aspect of fuel fragmentation depends on cladding rupture. Thus, assessing uncertainties in the rupture behavior is helpful in estimating the dispersal of high-burnup fuel. This study builds on the previous work by assessing the impact of assembly structural features on cladding balloon and burst behavior in a full-length fuel rod. In this work, the BISON fuel performance code was used to generate 2D radial and height meshes containing structural features commonly used in nuclear fuel assemblies. First, meshes were generated with spacer grids. Results were then compared to the cladding burst temperature and balloon strain results from the previous work. A mesh sensitivity study was performed to ensure that mixing vanes and spacer grid effects were appropriately considered, resulting in a more refined mesh than the previous study. The balloon deformation and burst times of the cladding were compared to the original case. Consideration was also given to the effect of rod initial pressure. In conclusion, 3D quarter rod simulations were also performed and found good agreement with the 2D simulations in clad deformation and reasonable agreement in burst times.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Wavelength-Dependent Excitonic Properties of Covalent Organic Frameworks Explored by Theory and Experiments

Many aspects of the correlation between physical structure, light harvesting, and excitonic properties of covalent organic frameworks (COFs) remain unclear despite being key properties determining their photocatalytic function. One area of COF research that could bring clarity is through using both electronic structure theory and time-resolved spectroscopic analysis over a series of isomeric COFs. Here, we show structure-property relationships between four imine COFs built from a combination of ditopic and tritopic monomers using transient absorption spectroscopy together with time-dependent density functional theory. We find that monomer selection only moderately affects the charge transfer (CT) behavior of the COFs. Instead, we infer that imine chemistry profoundly impacts CT by acting as a CT mediator. Moreover, we discover two distinct valence bands arising from varying degrees of locally excited/CT mixing, which is responsible for energy dependent exciton dynamics. Finally, we use theory to hypothesize that interlayer interactions can modify excitonic properties that we correlate with tail states commonly observed, but rarely investigated in COFs. Furthermore, these results reveal that imine chemistry should be recognized as a very important factor to consider in the development of COF photocatalysts and the correlation of their structural environment with light harvesting and CT properties that should ultimately determine their photocatalytic function.

14 SOLAR ENERGY↗
DOE OSTI2020

An ab initio exciton model for singlet fission

Here we present an ab initio exciton model that extends the Frenkel exciton model and includes valence, charge-transfer, and multiexcitonic excited states. It serves as a general, parameter-free, yet computationally efficient and scalable approach for simulation of singlet fission processes in multichromophoric systems. A comparison with multiconfigurational methods confirms that our exciton model predicts consistent energies and couplings for the pentacene dimer and captures the correct physics. Calculations of larger pentacene clusters demonstrate the computational scalability of the exciton model and suggest that the mixing between local and charge-transfer excitations narrows the gap between singlet and multiexcitonic states. Local vibrations of pentacene molecules are found to facilitate singlet–multiexcitonic state-crossing and hence are important for understanding singlet fission. The exciton model developed in this work also sets the stage for further implementation of the nuclear gradients and nonadiabatic couplings needed for first principles nonadiabatic quantum molecular dynamics simulations of singlet fission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Regional Variation in Light-Duty Plug-in Electric Vehicle Emissions

Automobile electrification is viewed as one of the key requirements for deep decarbonization of transportation. However, the exact magnitude of decarbonization from switching from a combustion of petroleum-based fuels to grid-derived electricity is a complex issue. Variations in local grid mixes lead to differing carbon intensities of electricity in different regions. This complexity is compounded by geographical differences in vehicle characteristics. This analysis considers these geographic differences to produce a historical assessment of the fuel-cycle carbon emissions of plug-in electric vehicles (PEVs) in the United States from 2011 to 2021. We find that PEVs in the United States decreased in electricity-derived carbon intensity, from 187 grams per mile to 110 grams per mile from 2011 to 2021 due to improvements in the electric grid and vehicle efficiency. Through 2021, PEVs emitted a total of 13.6 million metric tons of greenhouse gas (GHG) emissions in the United States, including both emissions from electricity and gasoline, while driving a total of 100 billion miles. Of this total, 8.39 million metric tons was due to electricity consumption. Over the same distance, comparable gasoline vehicles would have emitted between 29 and 41 million metric tons of GHG, leading to a reduction of 15 to 27 million metric tons. Relative to national-level assessments that do not factor in this regional difference, these electric vehicles resulted in 13% greater reductions in GHG emissions than previously calculated. In the future, announced goals to further decarbonize the electricity sector will continue to reduce the emissions of PEVs, including reducing emissions rates for vehicles already on the road, further improving the benefits relative to the unchanging emissions of contemporaneous gasoline vehicles.

02 PETROLEUM↗