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NASA NTRS1981

Wind induced composition effects at high latitudes

The temperature and compositional structure of the upper atmosphere are discussed in relation to the impacts of wind-induced diffusion processes. Seasonal variations in thermospheric temperature and composition are explained by energy and mass transport from the summer to the winter hemisphere induced by preferential heating, with the winter oxygen bulge participating in a feedback mechanism which acts to dampen wind velocities and increase temperature contrast. Changes in the eddy diffusion coefficient are considered as a complementary mechanism of producing the seasonal anomalies. The role of winds induced by high-latitude heating by particles and Joule dissipation during magnetic storms and substorms in accounting for thermospheric density increases and N2 and Ar enhancements and O and He depletions at high latitudes are discussed, and the rather weak compositional signature of E x B momentum coupling is distinguished from the effects of Joule dissipation.

Mayr, H. G.↗

NASA NTRS1985

Influence of Melt Convection on Solid-Liquid Interface Under Terrestrial and Reduced Gravity Environments

Solidification and crystal growth processes involve thermal and solutal gradients within a molten phase. In the presence of gravity, such gradients result in convective flows which interact with diffusion fields at the solid-liquid interface. Dendritic growth kinetics was studied in transparent model systems which freeze similarily to most metals. Succinonitrile shows a strong influence of convection at supercoolings below about 1K. Fluid flows adjacent to solid-liquid interfaces and the behavior of shear flows in vertical annular geometries are studied. Novel low-frequency eigenstates were discovered and classified as coupled modes, for their involvement with interfacial deformation coupled to the fluid flow, and are unknown in systems without deformable interfaces. The dependence of coupled convection modes on interfacial geometry, gravity, fluid properties, and transformation characteristics studied for several annual flow arrangements with nominally pure solid-liquid systems.

Glicksman, M. E.↗

NASA NTRS1986

Analysis of coaxial spray combustion flames and related numerical issues

An approach to the simulation of strongly coupled multiphase flows in combustion hardware is sketched and its unique requirements highlighted. An example of a successful application to a coaxial injector flame is presented. Furthermore, several numerical issues that tend to interact with the physics of the problem are discussed with special regard to their potential impact on the choices of numerical parameters by the analyst. These include the issues of stability, numerical diffusivity, stiffness, and boundary conditions. The theme of this paper focuses on the intriguing relationships among the grid, the solution algorithm, and the actual physical mechanisms themselves.

Liang, P. Y.↗

NASA NTRS1993

Time-dependent modulation of galactic cosmic rays by merged interaction regions

Models that solve the one-dimensional, solar modulation equation have reproduced the 11-year galactic cosmic ray using functional representations of global merged interaction regions (MIRs). This study extends those results to the solution of the modulation equation with explicit time dependence. The magnetometers on Voyagers 1 and 2 provide local magnetic field intensities at regular intervals, from which one calculates the ratio of the field intensity to the average local field. These ratios in turn are inverted to form diffusion coefficients. Strung together in radius and time, these coefficents then fall and rise with the strength of the interplanetary magnetic field, becoming representations of MIRs. These diffusion coefficients, calculated locally, propagate unchanged from approx. 10 AU to the outer boundary (120 AU). Inside 10 AU, all parameters, including the diffusion coefficient are assumed constant in time and space. The model reproduces the time-intensity profiles of Voyager 2 and Pioneer 10. Radial gradient data from 1982-1990 between Pioneer 10 and Voyager 2 are about the same magnitude as those calculated in the model. It is also shows agreement in rough magnitude with the radial gradient between Pioneer 10 and 1 AU. When coupled with enhanced, time-dependent solar wind speed at the probe's high latitude, as measured by independent observers, the model also follows Voyager 1's time-intensity profile reasonably well, providing a natural source the model also follows Voyager 1's time-intensity profile reasonably well, providing a natural source for the observed negative latitudinal gradients. The model exhibits the 11-year cyclical cosmic ray intensity behavior at all radii, including 1 AU, not just at the location of the spacecraft where the magnetic fields are measured. In addition, the model's point of cosmic ray maximum correctly travels at the solar wind speed, illustrating the well-known propagation of modulation. Finally, at least in the inner heliosphere this model accounts for the delay experienced by lower-rigidity protons in reaching their time-intensity peak. The actual delays in this model, however, are somewhat smaller than the data. In the outer heliosphere the models sees no delays, and the data are ambiguous as to their existence. It appears that strong magnetic field compression regions (merged interaction regions) that are 3-4 times the average field strength can, at least in a helioequatorial band, disrupt effects, such as drifts, that could dominate in quieter magnetic fields. The question remains: Is the heliosphere ever quiet enough to allow such effects to be unambiguously measured, at least in the midlatitudes?

Perko, J. S.↗

NASA NTRS2004

Microminiature Monitor for Vital Electrolyte and Metabolite Levels of Astronauts

Ions, such as proton (pH) and potassium, play a crucial role in body fluids to maintain proper basic functioning of cells and tissues. Metabolites, such as glucose, control the energy available to the entire human body in normal as well as stress situations, and before, during, and after meals. These molecules diffuse easily between blood in the capillaries and the interstitial fluid residing between cells and tissues. We have developed and approach to monitoring of critical ions (called electrolytes) and glucose in the interstitial fluid under the human skin. Proton and potassium levels sensed using optode technology that translates the respective ionic concentrations into variable colors of corresponding ionophore/dye/polymeric liquid membranes. Glucose is monitored indirectly, by coupling through immobilized glucose oxidase with local pH that is then detected using a similar color scheme. The monitor consists of a tiny plastic bar, 100-200 microns wide and 1-2 mm long, placed just under the skin, with color changing spots for each analyte as well as blanks. The colors are read and translated into concentration values by a CCD camera. Direct optical coupling between the in vivo sensing bar and the ex vivo detector device requires no power, and thus eliminates the need for wires or optical fibers crossing the skin. The microminiature bar penetrates the skin easily and painlessly, so that astronauts could insert it themselves. The approach is fully compatible with telemetry in space, and thus, in vivo clinical data will be available real time in the Earth based command center once the device is fully developed. The information provided can be used for collecting hitherto unavailable vital data on clinical effects of space travel. Managing clinical emergencies in space with the sensor already in place should also become much more efficient than without a continuous monitor, as is currently the case. Civilian applications may include better glucose control of patients with moderate to severe diabetes: a growing health problem in the US and World-wide.

Tohda, Koji↗

NASA NTRSDate not supplied

Improving Ocean Reanalyses and ENSO Forecasts By Assimilation of Rain-Corrected Satellite Sea Surface Salinity Using the GMOA S2s Forecast System

The ENSO phenomenon has a significant global socio-economic impact and has been the key focus for improving coupled ocean-atmosphere forecasts. Assimilation of satellite altimetry and subsurface temperature and salinity from (mostly) Argo help improve the initialization of the thermocline, while satellite SST aids in constraining surface heat-fluxes, leading to improved coupled system sub-seasonal to seasonal forecasts. However, few studies have focused on improving the near-surface density and mixing through satellite sea surface salinity (SSS) assimilation. The few ocean models that assimilate satellite SSS, bias correct to normalize towards the near-surface Argo data for expediency. This assumption is likely inadequate in rainy regions, where buoyant water forms a fresh surface lens. In previous work, we showed that adjusting SSS to bulk salinity (Sb) using the Rain Impact Model (RIM) of Santos-Garcia et al., 2014 improves the near-surface density and mixed layer depth, leading to deeper thermocline and improved NINO3.4 SST forecasts. We now utilize the Soil Moisture and Ocean Salinity rain-corrected (SMOS_RC) SSS, available in SMOS-CATDS products, to represent Sb more accurately at the first model layer (e.g., 5 m). Rather than a diffusivity model as RIM, SMOS_RC uses a statistical correction dependent on Integrated Multi-satellitE Retrievals for GPM (IMERG) rain rates, established on observed SMOS SSS decreases related to Sb in the presence of rain (Supply et al., 2020). For all experiments, all available along-track absolute dynamic topography and in situ observations are assimilated using the LETKF scheme (Penny et al., 2013). One reanalysis additionally assimilates SMOS SSS data as is, and a separate reanalysis assimilates SMOS_RC. We assess the impact on near-surface and subsurface dynamics by validating against observations and explore how SSS assimilation (SMOS vs SMOS_RC) impacts ENSO forecasts using the NASA GMAO Sub-seasonal to Seasonal coupled forecast system (S2S-v3, Molod et al. 2020). We show that improved estimates of density and near-surface mixing led to more accurate coupled air/sea interaction and better ENSO forecasts. The increased SSS, resulting from the removal of the instantaneous rain effect, modifies the ocean state by enhancing mixing and deepening the thermocline.

Veronica Ruiz Xomchuk↗

DOE OSTI2021

Influence of the Cubic Sublattice on Magnetic Coupling between the Tetrahedral Sites of Garnet

Here, we present a study on the nuclear and magnetic structures of two iron-based garnets with magnetic cations isolated on tetrahedral sites. Ca 2 YZr 2 Fe 3 O 12 and Ca 2 LaZr 2 Fe 3 O 12 offer an interesting comparison for examining the effect of increasing cation size within the diamagnetic backbone of the garnet crystal structure, and how such changes affect the magnetic order. Despite both systems exhibiting well-pronounced magnetic transitions at low temperatures, we also find evidence for diffuse magnetic scattering due to a competition between the nearest-neighbor, next nearest-neighbor, and so on, within the tetrahedral sites. This competition results in a complex noncollinear magnetic structure on the tetrahedral sublattice creating a mixture of ferro- and antiferromagnetic interactions above the long-range ordering temperature near 20 K and suggests that the cubic site of the garnet plays a significant role in mediating the superexchange interactions between tetrahedral cations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Ionic Liquid–Directed Nanoporous TiNb 2 O 7 Anodes with Superior Performance for Fast–Rechargeable Lithium–Ion Batteries

Nanoporous TiNb 2 O 7 (NPTNO) material is synthesized by a sol–gel method with an ionic liquid (IL) as the nanoporous structure directing template. NPTNO exhibits a high reversible capacity of 210 mAh g –1 even at the charging rate of 50 C and an excellent cyclability of half-cell capacity retention of 74% for 1000 cycles at 5 C and LiNi 0.5 Mn 1.5 O 4 -coupled full-cell capacity retentions of 81% and 87% for 1000 cycles at 1 C and 2 C, respectively. The studies of the 1000 cycled NPTNO electrode illustrate that the IL-directed mesoporous structure can enhance the cyclability of NPTNO cells due to the alleviation of repetitive mechanical stress and volume fluctuation induced by the repetitive Li + insertion-extraction processes. The measured Li + diffusion coefficients from the galvanostatic intermittent titration technique suggest that the IL-templating strategy indeed ensures the fast rechargeability of NPTNO cells based on the fast Li + diffusion kinetics. Benefitting from the nanoporous structure, NPTNO with unhindered Li + diffusion pathways achieves a superior rate capability in the titanium-based oxide materials and the best full-cell cyclability in the TNO materials. Furthermore, the templating potential of IL is demonstrated, and the superb electrochemical performance establishes the IL-directed NPTNO as a promising anode candidate for fast-rechargeable LIBs.

25 ENERGY STORAGE↗

DOE OSTI2025

Galactic echoes

Gaia has revealed a variety of substructures in the phase space of stars in the Solar neighbourhood, including the vertical ‘Snail’ $(z, v_z)$ in space. Such substructures are often interpreted as the incompletely phase-mixed response of the disc stars to a single perturbation, such as an impulsive encounter with a satellite galaxy. In this paper, we consider the possibility that such structures contain manifestations of phase-space echoes. First established in plasma physics in the 1960s, echoes arise when a collisionless system is perturbed twice: the macroscopic responses to both perturbations mix to small scales in phase space, whereupon they couple non-linearly, producing a third macroscopic ‘echo’ response without the need for a third perturbation. We derive the galactic analogue of the plasma echo theory using angle-action variables and apply it to a one-dimensional model of vertical motion in the Milky Way. We verify the predicted echo behaviour using idealized test particle simulations, both with and without the inclusion of diffusion through orbital scattering off molecular clouds. While we conclude that the Gaia Snail itself is unlikely a (pure) echo effect, the basic physics we uncover is sufficiently generic that we expect phase-space echoes to be common in disc galaxies.

Galaxy: evolution↗

NASA NTRS1981

An evaluation of computer codes for simulating the Galileo Probe aerothermal entry environment

The approaches of three computer flow field codes (HYVIS, COLTS, and RASLE), used to determine the Galileo Probe aerothermal environment and its effect on the design of the thermal protection system, are analyzed in order to resolve differences in their predicted results. All three codes account for the hypersonic, massively blown, radiation shock layers, characteristic of Jupiter entry. Significant differences, however, are evident in their solution procedures: the governing conservation equations, the numerical differencing methods, the governing physics (chemical, radiation, diffusion, and turbulence models), and the basic physical data (thermodynamic, transport, chemical, and spectral properties for atomic and molecular species). Solutions are compared for two near peak heating entry conditions for a Galileo Probe baseline configuration, having an initial mass of 242 kg and simulating entry into the Orton nominal atmosphere. The modern numerical methodology of COLTS and RASLE appear to provide an improved capability for coupled flow-field solutions.

Menees, G. P.↗

NASA NTRS1990

Trapping saturation of the bump-on-tail instability and electrostatic harmonic excitation in earth's foreshock

The Vlasov simulation is used to examine the trapping saturation of the bump-on-tail instability both with and without mode-mode coupling and subsequent harmonic excitation. It is found that adding the pumped harmonic modes leads to a significant difference in the behavior of the phase-space distribution function near the unstable bump at the saturation time of the instability. The pumped modes permit rapid plateau formation on the space-averaged velocity distribution, in effect preventing the onset of the quasi-linear velocity-diffusion saturation mechanism.

Klimas, Alexander J.↗

NASA NTRS1998

Gamma-Ray Observations of the Interstellar Clouds in Cepheus

During the last six months of the period of performance, the diffuse gamma-ray emission from the Monoceros region was reanalyzed and one of the important conclusions was revised as a result. The reanalysis incorporated newly-available data from recent EGRET viewing periods and revealed a previously-uncataloged gamma-ray point source near the plane in Monoceros. The effect of incorporating this source in the diffuse emission model was significant, as its flux was comparable to that from a large interstellar cloud complex in the Perseus arm. In the updated model, a greatly reduced gamma-ray emissivity was found in the Perseus arm. This finding alters the previous conclusion that we had found evidence for an enhanced emissivity in the arm, which had supported the hypothesis that cosmic rays are coupled to the interstellar medium on the scale of spiral arms. Our updated findings are consistent with our previous results for the emissivity toward the Cepheus region (Digel et al. 1996), where a monotonic gradient of emissivity in the outer Galaxy was found. The updated analysis of Monoceros was presented at the June, 1998 meeting of the American Astronomical Society, and a journal publication should be ready for submission soon.

Digel, S.↗

DOE OSTI2023

Storage and Diffusion of Carbon and Nitrogen in Crustal Materials

Nitrogen is a primary constituent of Earth’s atmosphere and an essential component of many biological processes. Recent developments in understanding N incorporation into silicate minerals suggest that the solid earth and lithosphere could provide a substantial reservoir for the planetary N budget. Furthermore, determining the concentration and distribution of low abundances of N in silicates presents a significant challenge in microanalysis. We tested capabilities for high spatial resolution quantification of low levels of N using EPMA with the goal of developing standards to be used in coupled N and noble gas analyses of silicate minerals. We investigated the concentration and distribution of N in a suite of ammonium-bearing silicate minerals that reflect the dominant N-bearing phases of the lithosphere: tobelite, buddingtonite, ammonioleucite, tsaregorodtsevite, and hyalophane. These minerals form during NH 4 -rich alteration of K-bearing silicate minerals, and the bonding environment of N in each mineral is likely to differ based on crystal structure. Using an optimized analytical routine for N quantification enables sensitivity approaching 0.02 weight% N and high-resolution quantitative mapping of sub-micron variations in N contents.

58 GEOSCIENCES↗

DOE OSTI2022

Uptake of N 2 O 5 by aqueous aerosol unveiled using chemically accurate many-body potentials

The reactive uptake of N 2 O 5 to aqueous aerosol is a major loss channel for nitrogen oxides in the troposphere. Despite its importance, a quantitative picture of the uptake mechanism is missing. Here we use molecular dynamics simulations with a data-driven many-body model of coupled-cluster accuracy to quantify thermodynamics and kinetics of solvation and adsorption of N 2 O 5 in water. The free energy profile highlights that N 2 O 5 is selectively adsorbed to the liquid–vapor interface and weakly solvated. Accommodation into bulk water occurs slowly, competing with evaporation upon adsorption from gas phase. Leveraging the quantitative accuracy of the model, we parameterize and solve a reaction–diffusion equation to determine hydrolysis rates consistent with experimental observations. We find a short reaction–diffusion length, indicating that the uptake is dominated by interfacial features. The parameters deduced here, including solubility, accommodation coefficient, and hydrolysis rate, afford a foundation for which to consider the reactive loss of N 2 O 5 in more complex solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1982

Highlights of theoretical progress related to the International Magnetospheric Study

U.S. theoretical research efforts have addressed three areas within the International Magnetospheric Study. The first, solar wind/magnetosphere interaction, is presently concerned with the suggestion that magnetic merging may predominantly occur near the polar cusps rather than near the subsolar point. Mechanisms have been proposed for noncollisional diffusion of solar wind plasma across the closed magnetopause entailed by such a phenomenon. The second area considers the importance to magnetotail dynamics of a continuous source of solar wind plasma, and of sporadic plasma loss associated with an unsteady convection cycle. In the third area, the electrodynamic magnetosphere/ionosphere interaction, an advanced state has been reached in the understanding of the relevant physics, with respect both to coupling in the subauroral region and the large scale structure of auroral zone electric fields parallel, and perpendicular to, the magnetic field.

Hill, T. W.↗

NASA NTRS1993

A physical model of the infrared-to-radio correlation in galaxies

We explore the implications of the IR-radio correlation in star-forming galaxies, using a simple physical model constrained by the constant global ratio q of IR to radio emission and by the radial falloff of this ratio in disks of galaxies. The modeling takes into account the diffusion, radiative decay, and escape of cosmic-ray electrons responsible for the synchrotron emission, and the full range of optical depths to dust-heating photons. We introduce two assumptions: that dust-heating photons and radio-emitting cosmic-ray electrons are created in constant proportion to each other as part of the star formation activity, and that gas and magnetic field are well coupled locally, expressed as B proportional to n exp beta, with beta between 1/3 and 2/3. We conclude that disk galaxies would maintain the observed constant ratio q under these assumptions if the disk scale height h(0) and the escape scale length l(esc) for cosmic-ray electrons followed a relation of the form l(esc) proportional to h(0) exp 1/2; the IR-to-radio ratio will then depend very weakly on interstellar density, and, therefore, on magnetic field strength or mean optical depth.

Helou, G.↗

DOE OSTI2025

Thermodynamic modeling of countercurrent chemical looping reverse water gas shift process for redox material screening

The reverse water gas shift (RWGS) reaction is a key pathway for CO 2 utilization, particularly within Power-to-X process chains aimed at sustainable fuel and chemical production. Countercurrent chemical looping (CL-RWGS) using non-stoichiometric oxides can overcome equilibrium limitations of conventional RWGS reactors, enabling significantly higher CO 2 conversions. However, modeling the limiting performance of such systems is challenging due to their multiphase nature and coupled spatial and temporal variation in chemical composition. In this work, we present a discretized batch equilibrium model that simulates CL-RWGS reactors as a series of localized equilibrium exchanges between gas and solid elements. The model is numerically stable, computationally efficient, and free of kinetic source terms, making it well-suited for parametric studies and system-level integration. It is validated against established convection–diffusion models and shown to predict reasonable upper bounds on experimental results. Application of the model to a range of oxygen carrier materials identifies cerium–zirconium solid solutions, particularly Ce 0.80 Zr 0.20 O 2 , as a promising class offering superior oxygen storage characteristics compared to state-of-the-art La 0.6 Sr 0.4 FeO 3 . This framework provides a robust platform for materials screening, reactor sizing, and performance optimization in chemical looping systems. The model implementation is available as open-source software to support further research and development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1999

Effects of Gravity on Sheared Turbulence Laden with Bubbles or Droplets

The objective of this numerical/experimental study is to improve the understanding of the effects of gravity on the two-way interaction between dispersed particles (bubbles or liquid droplets) and the carrier turbulent flow. The first phase of the project considers isotropic turbulence. Turbulent homogeneous shear flows laden with droplets/bubbles will be studied in the next phase. The experiments reported here are concerned with the dispersion of liquid droplets by homogeneous turbulence under various gravitational conditions and the effect of these droplets on the evolution of the turbulence of the carrier fluid (air). Direct numerical simulations (DNS) of bubble - laden isotropic decaying turbulence are performed using the two-fluid approach (TF) instead of the Eulerian-Lagrangian approach (EL). The motivation for using the TF formulation is that EL requires considerable computational resources especially for the case of two-way coupling where the instantaneous trajectories of a large number of individual bubbles need to be computed. The TF formulation is developed by spatially averaging the instantaneous equations of the carrier flow and bubble phase over a scale of the order of the Kolmogorov length scale which, in our case, is much larger than the bubble diameter. On that scale, the bubbles are treated as a continuum (without molecular diffusivity) characterized by the bubble phase velocity field and concentration (volume fraction). The bubble concentration, C, is assumed small enough to neglect the bubble-bubble interactions.

Elghobashi, Said↗