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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Turbulent mixing layers in the interstellar medium of galaxies

It is proposed that turbulent mixing layers are common in the ISM of the Milky Way and selected external galaxies, with many layers per kiloparsec along typical lines of sight. All of the diffuse C I 1550-A background emission and a significant fraction of the diffuse H-alpha background at high latitude can be explained by mixing layers cooling at pressure of about 3000/cu cm K. These models also produce the correct ratio of semiforbidden C IV 15500 III 1663-A emission. Only 10 percent of the disk H-alpha is likely to arise from mixing layers. The observed Galactic absorption-line column densities of C IV, N V, Si IV, and O VI are roughly consistent with mixing-layer models with an intermediate temperature of about 10 exp 5.3 K and depleted abundances.

Slavin, Jonathan D.↗
NASA NTRS1997

Vertical Transport Processes for Inert and Scavenged Species: TRACE-A Measurements

The TRACE-A mission of the NASA DC-8 aircraft made a large-scale survey of the tropical and subtropical atmosphere in September and October of 1992. Both In-situ measurements of CO (G. Sachsen NASA Langley) and aerosol size (J. Browell group, NASA Langley) provide excellent data sets with which to constrain vertical transport by planetary boundary layer mixing and deep-cloud cumulus convection. Lidar profiles of aerosol-induced scattering and ozone (also by Bremen) are somewhat require more subtle interpretation as tracers, but the vertical information on layering largely compensates for these complexities. The reason this DC-8 dataset is so useful is that very large areas of biomass burning over Africa and South America provide surface sources of appropriate sizes with which to characterize vertical and horizontal motions; the major limitation of our source description is that biomass burning patterns move considerably every few days, and daily burning inventories are a matter of concurrent, intensive research. We use the Penn State / NCAR MM5 model in an assimilation mode on the synoptic and intercontinental scale, and assess the success it shows in vertical transport descriptions. We find that the general level of emissions suggested by the climatological approach (Will. Has, U. of Montana) appears to be approximately correct, possibly a bit low, for this October, 1992, time period. Vertical transport in planetary boundary layer mixing to 5.5 kin was observed and reproduced in our simulations. Furthermore we find evidence that Blackader "transilient" or matrix-transport scheme is needed, but may require some adaptation in our tracer model: CO seems to exhibit very high values at the top of the planetary boundary layer, a process that stretches the eddy-diffusion parameterization. We will report on progress in improving the deep convective transport of carbon monoxide: the Grail scheme as we used it at 100 kin resolution did not transport enough material to the upper troposphere. We expect to be able to attribute this to either parameterization reasons (inadequacy of this parameterization at the large 100km scale) or other reasons. Nevertheless, the qualitative nature of deep transport by clouds shows up well in the simulations. As for scavengable species, the simulations predict tens of micrograms per standard cubic meter of smoke aerosol in the boundary layer. In a straightforward illustration of our simple bulk-mass scavenging parameterization, to one or two micrograms per standard cubic meter of smoke aerosol in the free troposphere just above the source regions: very high concentrations for the free troposphere. We expect to report on comparisons of these predictions to a variety of observations.

Chatfield, Robert B.↗
NASA NTRS2003

Blended Wing Body Systems Studies: Boundary Layer Ingestion Inlets With Active Flow Control

A CFD analysis was performed on a Blended Wing Body (BWB) aircraft with advanced, turbofan engines analyzing various inlet configurations atop the aft end of the aircraft. The results are presented showing that the optimal design for best aircraft fuel efficiency would be a configuration with a partially buried engine, short offset diffuser using active flow control, and a D-shaped inlet duct that partially ingests the boundary layer air in flight. The CFD models showed that if active flow control technology can be satisfactorily developed, it might be able to control the inlet flow distortion to the engine fan face and reduce the powerplant performance losses to an acceptable level. The weight and surface area drag benefits of a partially submerged engine shows that it might offset the penalties of ingesting the low energy boundary layer air. The combined airplane performance of such a design might deliver approximately 5.5% better aircraft fuel efficiency over a conventionally designed, pod-mounted engine.

Geiselhart, Karl A.↗
DOE OSTI2021

From material properties to multiscale modeling to improve lithium-ion energy storage safety

Energy storage using lithium-ion cells dominates consumer electronics and is rapidly becoming predominant in electric vehicles and grid-scale energy storage, but the high energy densities attained lead to the potential for release of this stored chemical energy. This article introduces some of the paths by which this energy might be unintentionally released, relating cell material properties to the physical processes associated with this potential release. The selected paths focus on the anode–electrolyte and cathode–electrolyte interactions that are of typical concern for current and near-future systems. Relevant material processes include bulk phase transformations, bulk diffusion, surface reactions, transport limitations across insulating passivation layers, and the potential for more complex material structures to enhance safety. We also discuss the development, parameterization, and application of predictive models for this energy release and give examples of the application of these models to gain further insight into the development of safer energy storage systems.

25 ENERGY STORAGE↗
DOE OSTI2021

Electrolyte-Guided Design of Electroreductive CO Coupling on Copper Surfaces

Engineering the interfacial distribution of electrolytic ions can aid in modulating the electrocatalyst performance and efficiency. Using a hybrid quantum-classical modeling approach, we describe how predictive tuning of the solution microenvironment on copper can enhance the efficiency of CO 2 reduction (CO 2 R) to C 2 products. We elucidate how competing electrolyte constituents in mixed electrolyte solutions stimulate restructuring of the electrochemical double layer (EDL) and stabilize the OCCO* dimer (* denotes surface adsorbed), with predictions validated in flow reactors using copper gas diffusion electrodes (Cu-GDEs). Furthermore, our findings highlight how molecular-scale electrolyte engineering with informed models of the EDL can be leveraged to tailor CO 2 R activity and selectivity toward C 2 products.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A hybrid data–model approach to map soil thickness in mountain hillslopes

Abstract. Soil thickness plays a central role in the interactions between vegetation, soils, and topography, where it controls the retention and release of water, carbon, nitrogen, and metals. However, mapping soil thickness, here defined as the mobile regolith layer, at high spatial resolution remains challenging. Here, we develop a hybrid model that combines a process-based model and empirical relationships to estimate the spatial heterogeneity of soil thickness with fine spatial resolution (0.5 m). We apply this model to two aspects of hillslopes (southwest- and northeast-facing, respectively) in the East River watershed in Colorado. Two independent measurement methods – auger and cone penetrometer – are used to sample soil thickness at 78 locations to calibrate the local value of unconstrained parameters within the hybrid model. Sensitivity analysis using the hybrid model reveals that the diffusion coefficient used in hillslope diffusion modeling has the largest sensitivity among all input parameters. In addition, our results from both sampling and modeling show that, in general, the northeast-facing hillslope has a deeper soil layer than the southwest-facing hillslope. By comparing the soil thickness estimated between a machine-learning approach and this hybrid model, the hybrid model provides higher accuracy and requires less sampling data. Modeling results further reveal that the southwest-facing hillslope has a slightly faster surface soil erosion rate and soil production rate than the northeast-facing hillslope, which suggests that the relatively less dense vegetation cover and drier surface soils on the southwest-facing slopes influence soil properties. With seven parameters in total for calibration, this hybrid model can provide a realistic soil thickness map with a relatively small amount of sampling dataset comparing to machine-learning approach. Integrating process-based modeling and statistical analysis not only provides a thorough understanding of the fundamental mechanisms for soil thickness prediction but also integrates the strengths of both statistical approaches and process-based modeling approaches.

58 GEOSCIENCES↗
DOE OSTI2021

2D Ni 0.25 Mn 0.75 O 2 : A high-performance cathode for multivalent ion batteries

Although Li-ion batteries have driven portable energy storage in recent decades, there is increasing concern about their safety, cost, and abundance of constituents. Multivalent ion batteries (MVIBs) have the potential to remedy these issues, but they are limited by the currently known MVIB cathodes, which fail to deliver unanimously favorable voltage, energy density, and diffusion kinetics. Here we used density functional theory (DFT) to model the performance of Li, Na, Mg, Ca, and Al ions when paired with 2D Ni 0.25 Mn 0.75 O 2 , a novel cathode that uses increased layer separation to improve on the kinetics of its 3D analog. Our calculations yielded maximum voltages of 3.38 V for Na and 2.7 V for Ca, outperforming 2D Na x MnO 2 and Na x NiO 2 . Diffusion barriers for Li, Na, and Ca are below 300 meV, comparable to existing battery technology and the endpoint 2D cathodes; meanwhile, Mg and Al have prohibitively high diffusion barriers, implying their incompatibility with this cathode. Lastly, density of states calculations and Bader charge analysis show that the cathode becomes conducting following ion adsorption, which is necessary for high-rate performance. 2D Ni 0.25 Mn 0.75 O 2 maintains performance seen with other 2D transition metal oxides while increasing cathode conductivity, indicating that it is a promising candidate for experimental investigation with Li, Na, and Ca ions.

25 ENERGY STORAGE↗
DOE OSTI2021

Demonstration of Electrochemically-Driven CO 2 Separation Using Hydroxide Exchange Membranes

Hydroxide exchange membrane fuel cells (HEMFCs) are a potentially lower-cost hydrogen fuel cell technology; however, ambient levels of CO 2 in air significantly reduce HEMFCs’ performance. In this work, we demonstrate an electrochemically-driven CO 2 separator (EDCS) which can be used to remove ambient levels of CO 2 from air upstream of the HEMFC stack in fuel cell vehicles, protecting it from CO 2 -related performance losses. The EDCS operating window was explored for current density, anode flow, and cathode flow with respect to its impact on CO 2 separation performance. Additionally, gas-phase mass transport was improved by selecting flow fields and gas diffusion layers conducive to the EDCS operating regime. The use of a carbon-ionomer interlayer at the cathode was explored and improved CO 2 removal performance from 77.7% to 98.2% at 20 mA cm −2 . An analytical, 1-D model is used to explain the experimental observations and design improvements. A single-cell, 25 cm 2 EDCS using the aforementioned improved design demonstrated greater than 98% CO 2 removal at a cathode flow rate of 1300 sccm for 100 h with 2.7% hydrogen stack consumption.

Matz, Stephanie↗
DOE OSTI2025

Development and validation of non-axisymmetric heat flux simulations with 3D fields using the HEAT code

A new comprehensive module to simulate heat fluxes from three-dimensional (3D) magnetic fields has been implemented in the HEAT code. Especially compact tokamaks like SPARC require tools to predict and manage large heat fluxes. Existing release versions of HEAT can only simulate axisymmetric heat flux on 3D plasma facing components. The new module uses an M3D-C1 perturbed equilibrium and the MAFOT code to trace field lines of the perturbed 3D magnetic field. Heat flux is then assigned to the resulting footprints via a 3D layer model. The model distinguishes between the scrape-off layer, the magnetic lobes and the private flux region, and employs only 0D parameters like the layer width, diffusive spread and the last closed flux surface position in the perturbed edge to generate a heat flux profile. The magnitude is normalized to the total input power. Resulting heat flux simulations are compared and validated against infrared measurements in the DIII-D tokamak with applied 3D fields; good agreement is found for several cases. The new module can now be applied to the SPARC tokamak; a preliminary result for applied rotating 3D fields is shown.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Short-range thermal magnon diffusion in magnetic garnet

Here, using the spin Seebeck effect (SSE), we study the propagation distance of thermally induced spin currents inside a magnetic insulator thin film in the short-range regime. We disambiguate spin currents driven by temperature and chemical potential gradients by comparing the SSE signal before and after adding a heat-sinking capping layer on the same device. We report that the measured spin decay behavior near the heat source is well accounted for by a diffusion model where the magnon diffusion length is in submicron range, in other words, two orders of magnitude smaller than previous estimates inferred from the long-range behavior. Our results highlight the caveat in applying a diffusive theory to describe thermally generated magnon transport, where a single decay length may not capture the behavior on all length scales.

36 MATERIALS SCIENCE↗
NASA NTRS1982

A frost formation model and its validation under various experimental conditions

A numerical model that was used to calculate the frost properties for all regimes of frost growth is described. In the first regime of frost growth, the initial frost density and thickness was modeled from the theories of crystal growth. The 'frost point' temperature was modeled as a linear interpolation between the dew point temperature and the fog point temperature, based upon the nucleating capability of the particular condensing surfaces. For a second regime of frost growth, the diffusion model was adopted with the following enhancements: the generalized correlation of the water frost thermal conductivity was applied to practically all water frost layers being careful to ensure that the calculated heat and mass transfer coefficients agreed with experimental measurements of the same coefficients.

Dietenberger, M. A.↗
DOE OSTI2020

Transmural Remodeling of Cardiac Microstructure in Aged Spontaneously Hypertensive Rats by Diffusion Tensor MRI

The long-standing high blood pressure (also known as hypertension) overworks the heart. Microstructural remodeling is a key factor of hypertensive heart disease progression. Diffusion tensor magnetic resonance imaging (DT-MRI) is a powerful tool for the rapid noninvasive nondestructive delineation of the cardiomyocyte organization. The spontaneously hypertensive rat (SHR) is a well-established model of genetic hypertension. The goal of this study was to employ high-resolution DT-MRI and the SHR animal model to assess the transmural layer-specific remodeling of myocardial microstructure associated with hypertension. Ex vivo experiments were performed on excised formalin-fixed hearts of aged SHRs (n = 4) and age-matched controls (n = 4). The DT-MRI-derived fractional anisotropy (FA), longitudinal diffusivity (λ L ), transversal diffusivity (λ T ), and mean diffusivity (MD) served as the readout parameters investigated at three transmural zones (i.e., endocardium, mesocardium, and epicardium). The helix angles (HAs) of the aggregated cardiomyocytes and the orientation of laminar sheetlets were also studied. Compared with controls, the SHRs exhibited decreased epicardial FA, while FA changes in the other two transmural regions were insignificant. No substantial differences were observed in the diffusivity parameters and the transmural course of HAs between the two groups. A consistent distribution pattern of laminar sheetlet orientation was not identified for either group. Our findings are in line with the known cellular microstructure from early painstaking histological studies. Biophysical explanations of the study outcomes are provided. In conclusion, our experimental findings indicate that the epicardial microstructure is more vulnerable to high blood pressure leading to more pronounced changes in this region during remodeling. DT-MRI is well-suited for elucidating these alterations. The revealed transmural nonuniformity of myocardial reorganization may shed light on the mechanisms of the microstructure-function relationship in hypertension progression. Our results provide insights into the management of patients with systemic arterial hypertension, thus prevent the progression toward heart failure. The findings of this study should be acknowledged by electromechanical models of the heart that simulate the specific cardiac pathology.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1977

A model for microwave intensity propagation in an inhomogeneous medium

A combined analytic and phenomenological approach, utilizing Maxwell's equations in the Born approximation with radiative transfer theory, is used to describe the propagation of microwave intensity in a scattering medium characterized by three-dimensional random fluctuations in refractive index, as well as nonrandom variations in permittivity, temperature, and loss. This approach yields microwave intensities as a function of polarization, direction, and position. Numerical techniques are presented to solve the transport equations, which include cases of spatially varying coefficients, and highly peaked phase functions. Some computed results illustrating the behavior of microwave intensity in various media are presented. Included are the angular and frequency spectra of thermal emission from semi-infinite media, and the diffuse transmission and reflection response of a scattering layer. The effects of scatterer geometry and scale sizes; correlation function; and gradients in temperature, loss, and scattering parameters are also demonstrated. This model should be particularly useful in interpreting active and passive remote sensing data.

Fisher, A. D.↗
DOE OSTI2021

Modeling fission product diffusion in TRISO fuel particles with BISON

Diffusion of fission products in intact TRISO particles depends on particle geometry, fission product source rates, time, temperature, and temperature-dependent diffusion coefficients. Simulating this diffusion process requires models for source rates and diffusion coefficients, plus computation of the temperature field if not prescribed. In addition, simulation quality depends on discretization of the geometry, appropriate time stepping, and the accuracy of the solution method. In this paper, we explore the simulation of fission product diffusion in TRISO fuel particles using the finite element method via the fuel performance code Bison. Recent material model development has occurred in Bison for each material present in tri-structural isotropic (TRISO) fuel particles: the buffer, inner pyrolytic carbon, silicon carbide, and outer pyrolytic carbon layers, as well as the fuel kernel. Also, new mesh generation and fission product release fraction capabilities have been added. Diffusion capabilities are shown to converge to the correct solution via formal verification tests. A large number of code benchmarking problems are also given, with good results, showing that Bison’s computed release fractions closely match those of other software tools. Finally, a significant validation effort is detailed in which fission product release, measured as part of the AGR-1 capsule experiments, is compared to Bison outputs. Bison outputs compare very well to the experimental data and to PARFUME results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Water under hydrophobic confinement: entropy and diffusion

The properties of liquid water are known to change drastically in confined geometries. A most interesting and intriguing phenomenon is that the diffusion of water is found to be strongly enhanced by the proximity of a hydrophobic confining wall relative to the bulk diffusion. We report a molecular dynamics simulation using a classical water model investigating the water diffusion near a non-interacting smooth confining wall, which is assumed to imitate a hydrophobic surface, revealing a pronounced diffusion enhancement within several water layers adjacent to the wall. We present evidence that the observed diffusion enhancement can be accounted for, with a quantitative accuracy, using the universal scaling law for liquid diffusion that relates the diffusion rate to the excess entropy. These results show that the scaling law, which has so far only been used for the description of the diffusion in simple liquids, can successfully describe the diffusion in water. It is shown that the law can be used for the analysis of water dynamics under nanoscale hydrophobic confinement, which is currently a subject of intense research activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Dissolution kinetics of a lunar glass simulant at 25 degrees C: the effect of pH and organic acids

The dissolution kinetics of a simulated lunar glass were examined at pH 3, 5, and 7. Additionally, the pH 7 experiments were conducted in the presence of citric and oxalic acid at concentrations of 2 and 20 mM. The organic acids were buffered at pH 7 to examine the effect of each molecule in their dissociated form. At pH 3, 5, and 7, the dissolution of the synthetic lunar glass was observed to proceed via a two-stage process. The first stage involved the parabolic release of Ca, Mg, Al, and Fe, and the linear release of Si. Dissolution was incongruent, creating a leached layer rich in Si and Ti which was verified by transmission electron microscopy (TEM). During the second stage the release of Ca, Mg, Al, and Fe was linear. A coupled diffusion/surface dissolution model was proposed for dissolution of the simulated lunar glass at pH 3, 5, and 7. During the first stage the initial release of mobile cations (i.e., Ca, Mg, Al, Fe) was limited by diffusion through the surface leached layer of the glass (parabolic release), while Si release was controlled by the hydrolysis of the Si-O-Al bonds at the glass surface (linear release). As dissolution continued, the mobile cations diffused from greater depths within the glass surface. A steady-state was then reached where the diffusion rate across the increased path lengths equalled the Si release rate from the surface. In the presence of the organic acids, the dissolution of the synthetic lunar glass proceeded by a one stage process. The release of Ca, Mg, Al, and Fe followed a parabolic relationship, while the release of Si was linear. The relative reactivity of the organic acids used in the experiments was citrate > oxalate. A thinner leached layer rich in Si/Ti, as compared to the pH experiments, was observed using TEM. Rate data suggest that the chemisorption of the organic anion to the surface silanol groups was responsible for enhanced dissolution in the presence of the organic acids. It is proposed that the increased rate of Si release is responsible for the one stage parabolic release of mobile cations and the relatively thin leached layer compared to experiments at pH 3 and 5.

NASA Discipline Life Support Systems↗
NASA NTRS1982

Ion temperature variations in the daytime high-latitude F region

The Schunk and Sojka (1981a, b) high latitude ionospheric model is improved through the inclusion of thermal conduction and diffusion terms in the ion energy equation, permitting the study of daytime, high latitude F layer temperature variations in a region poleward of the auroral oval. It is found that ion temperature variation with solar cycle, season and geomagnetic activity closely follows the neutral atomic oxygen variation, and that meridional electric fields of more than 40 mV/m can cause larger ion temperature changes than those due to solar cycle, seasonal or geomagnetic activity variations. In the presence of meridional electric fields, there is an upward flow of heat from the lower ionosphere that also acts to raise ion temperatures at high altitudes. Zonal electric fields affect ion temperature indirectly, through electron density changes.

Schunk, R. W.↗
NASA NTRS1986

Application of program LAURA to three-dimensional AOTV flowfields

Program LAURA (Langley Aerothermodynamic Upwind Relaxation Algorithm) is a robust, finite volume, single-level storage, implicit upwind differencing algorithm which has been documented and tested on several three-dimensional blunt-body flows. The algorithm can run at unlimited Courant numbers (relaxing the steady-state equations) but requires the inversion of only a 5 x 5 matrix per computational cell. An alternating directional sweep Gauss-Seidel substitution strategy is used to relax the governing equations. At present, the Euler and thin-layer Navier-Stokes equations using Sutherland's law for viscosity have been modeled for a perfect gas, equilibrium air, and nonequilibrium air chemistry neglecting diffusion. The equilibrium and nonequilibrium air chemistry options have been described in a companion paper. Good comparisons with experimental data and another calculation method for pressure distributions, aerodynamic coefficients, and heat-transfer distributions have been demonstrated for three-dimensional blunt-body flows.

Gnoffo, P. A.↗