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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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NASA NTRS1988

The three-dimensional morphology of the Antarctic ozone minimum

The three-dimensional morphology of the Antarctic ozone minimum was obtained by mapping ozone distribution data from Nimbus-7 solar backscatter UV instrument, obtained at different pressure levels, on a south polar projection. These maps show that a clearly defined ozone minimum relative to the local ozone field extends throughout the stratosphere from about 10 km to above 50 km, though the intensity of the ozone decrease becomes less with altitude. The examination of the behavior of the general ozone-hole area suggests the existence of at least three distinct regions: (1) the region below 33 km, where ozone follows the pattern of the ozone hole, exhibiting a strong trend since 1979 and decreasing from late August to a minimum in October; (2) the 33-43 km height region of relatively stable ozone concentration; and (3) the region above 43 km, where ozone is again fluctuating, with a decrease during September to a minimum in October.

Aikin, A. C.↗

DOE OSTI2020

The XtalOpt Evolutionary Algorithm for Crystal Structure Prediction

Significant progress has been made in the field of a priori crystal structure prediction, with a number of recent remarkable success stories. Herein, we briefly outline the methods that have been developed for finding the global minimum structure and interesting local minima without the need for experimental information. Focus is placed on describing the XTALOPT evolutionary algorithm (EA) developed in our group towards this end. XTALOPT is published under well-known open-source licenses, and the EA searches can be analyzed via the AVOGADRO chemical editor and visualizer. We describe new algorithmic developments that have made it possible to predict the structures of ever-more complex crystalline lattices. Benchmark tests, which clearly illustrate how the new developments improve the success rate and accelerate the discovery of the global minimum structure, are carried out. Lastly, we describe how XTALOPT has been employed to predict novel ternary hydrides that have the propensity for high-temperature superconductivity under pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Machine learning the metastable phase diagram of covalently bonded carbon

Abstract Conventional phase diagram generation involves experimentation to provide an initial estimate of the set of thermodynamically accessible phases and their boundaries, followed by use of phenomenological models to interpolate between the available experimental data points and extrapolate to experimentally inaccessible regions. Such an approach, combined with high throughput first-principles calculations and data-mining techniques, has led to exhaustive thermodynamic databases (e.g. compatible with the CALPHAD method), albeit focused on the reduced set of phases observed at distinct thermodynamic equilibria. In contrast, materials during their synthesis, operation, or processing, may not reach their thermodynamic equilibrium state but, instead, remain trapped in a local (metastable) free energy minimum, which may exhibit desirable properties. Here, we introduce an automated workflow that integrates first-principles physics and atomistic simulations with machine learning (ML), and high-performance computing to allow rapid exploration of the metastable phases to construct “metastable” phase diagrams for materials far-from-equilibrium. Using carbon as a prototypical system, we demonstrate automated metastable phase diagram construction to map hundreds of metastable states ranging from near equilibrium to far-from-equilibrium (400 meV/atom). We incorporate the free energy calculations into a neural-network-based learning of the equations of state that allows for efficient construction of metastable phase diagrams. We use the metastable phase diagram and identify domains of relative stability and synthesizability of metastable materials. High temperature high pressure experiments using a diamond anvil cell on graphite sample coupled with high-resolution transmission electron microscopy (HRTEM) confirm our metastable phase predictions. In particular, we identify the previously ambiguous structure of n -diamond as a cubic-analog of diaphite-like lonsdaelite phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1966

Accurate depth control provided for thermocouple junction locations

Flight reentry experiments define the total heating on a large blunt-nosed body by means of imbedded thermocouples. The thermocouples, installed in a beryllium layered forebody, were designed to provide minimum feasible disturbance of local heat flow with accurate depth control of the thermocouple junction locations.

Richardson, N. R.↗

NASA NTRS1974

Preliminary infrared radiometry of the night side of Mercury from Mariner 10

The infrared radiometer on Mariner 10 measured the thermal emission from the planet with a spatial resolution element as small as 40 kilometers in a broad wavelength band centered at 45 micrometers. The minimum brightness temperature (near local midnight) in these near-equatorial scans was 100 K. Along the track observed, the temperature declined steadily from local sunset to near midnight, behaving as would be expected for a homogeneous, porous material with a thermal inertia only slightly larger than that of the moon. From near midnight to dawn, however, the temperature fluctuated over a range of about 10 K.

Chase, S. C.↗

NASA NTRS1976

The effects of spherical geometry on baroclinic instability

A baroclinic stability analysis is performed for a simple family of zonal shear profiles over a sphere, using a two-layer, quasi-geostrophic model. The stability properties and the structure of the most unstable waves are qualitatively similar to those on a beta-plane. However, the spherical geometry plays a major role in locating some of the important features of the most unstable waves. In particular, the locations of the maximum wave amplitude, maximum eddy heat fluxes, and maximum convergence of the eddy angular momentum flux are all well correlated with the location of the maximum excess of the vertical shear over the minimum value necessary for local instability on a sphere. Consequently the eddy momentum flux tends to generate a mid-latitude jet even if there is no preexisting mid-latitude jet in the basic state zonal flow. These findings suggest some of the elements needed for parameterizing the meridional variations of baroclinic eddy fluxes accurately.

Moura, A. D.↗

NASA NTRS1978

Wake characteristics of a tower for the DOE-NASA MOD-1 wind turbine

A 1/40th scale model of a tower concept designed for a MOD-1 wind power turbine was tested in a low speed wind tunnel. Wake wind speed profiles were measured, and from these were determined local values of wake minimum velocity ratio, average velocity ratio, and width over a range of tower elevations and wind approach angles. Comparison with results from two other all tubular models (MOD-0 and eight leg designs) tested earlier in the same tunnel indicated that wake width and flow blockage at the rotor plane of rotation were slightly larger for the MOD-1 tower than for the other two models. The differences in wake characteristics were attributed to differences in tower geometry and member dimensions.

Savino, J. M.↗

NASA NTRS1984

ISEE-3 wave measurements in the distant geomagnetic tail and boundary layer

The ISEE-3 excursion into the distant tail region reveals a complex structure with several wave, particle and field characteristics that differ significantly from those measured closer to earth. The most striking results are found within the distant boundary layer where intense electrostatic turbulence levels are detected in association with bidirectional electron distributions. The wave amplitudes appear to increase with increasing downstream distance and the polarizations are those expected for ion acoustic oscillations. Near the boundary of the distant plasmas sheet the turbulence spectra are essentially identical to those measured much closer to earth on IMP-8. It is also found that in the distant tail the continuum radiation spectrum has a low frequency cutoff that is much higher than the minimum value for the local plasma frequency.

Scarf, F. L.↗

NASA NTRS1993

Path planning for robotic truss assembly

A new Potential Fields approach to the robotic path planning problem is proposed and implemented. Our approach, which is based on one originally proposed by Munger, computes an incremental joint vector based upon attraction to a goal and repulsion from obstacles. By repetitively adding and computing these 'steps', it is hoped (but not guaranteed) that the robot will reach its goal. An attractive force exerted by the goal is found by solving for the the minimum norm solution to the linear Jacobian equation. A repulsive force between obstacles and the robot's links is used to avoid collisions. Its magnitude is inversely proportional to the distance. Together, these forces make the goal the global minimum potential point, but local minima can stop the robot from ever reaching that point. Our approach improves on a basic, potential field paradigm developed by Munger by using an active, adaptive field - what we will call a 'flexible' potential field. Active fields are stronger when objects move towards one another and weaker when they move apart. An adaptive field's strength is individually tailored to be just strong enough to avoid any collision. In addition to the local planner, a global planning algorithm helps the planner to avoid local field minima by providing subgoals. These subgoals are based on the obstacles which caused the local planner to fail. A best-first search algorithm A* is used for graph search.

Sanderson, Arthur C.↗

NASA NTRS1997

On the Implementation of a Land Cover Classification System for SAR Images Using Khoros

The Synthetic Aperture Radar (SAR) sensor is widely used to record data about the ground under all atmospheric conditions. The SAR acquired images have very good resolution which necessitates the development of a classification system that process the SAR images to extract useful information for different applications. In this work, a complete system for the land cover classification was designed and programmed using the Khoros, a data flow visual language environment, taking full advantages of the polymorphic data services that it provides. Image analysis was applied to SAR images to improve and automate the processes of recognition and classification of the different regions like mountains and lakes. Both unsupervised and supervised classification utilities were used. The unsupervised classification routines included the use of several Classification/Clustering algorithms like the K-means, ISO2, Weighted Minimum Distance, and the Localized Receptive Field (LRF) training/classifier. Different texture analysis approaches such as Invariant Moments, Fractal Dimension and Second Order statistics were implemented for supervised classification of the images. The results and conclusions for SAR image classification using the various unsupervised and supervised procedures are presented based on their accuracy and performance.

Medina Revera, Edwin J.↗

NASA NTRS2012

Aerosol Daytime Variations over North and South America Derived from Multiyear AERONET Measurements

This study analyzes the daytime variation of aerosol with seasonal distinction by using multi-year measurements from 54 of the Aerosol Robotic Network (AERONET) sites over North America, South America, and islands in surrounding oceans. The analysis shows a wide range of daily variability of aerosol optical depth (AOO) and Angstrom exponent depending on location and season. Possible reasons for daytime variations are given. The largest AOO daytime variation range at 440 nm, up to 75%, occurs in Mexico City, with maximum AOO in the afternoon. Large AOO daily variations are also observed in the polluted mid-Atlantic U.S. and U.S. West Coast with maximum AOO occurring in the afternoon in the mid-Atlantic U.S., but in the morning in the West Coast. In South American sites during the biomass burning season (August to October), maximum AOO generally occurs in the afternoon. But the daytime variation becomes smaller when sites are influenced more by long-range transported smoke than by local burning. Islands show minimum AOO in the morning and maximum AOO in the afternoon. The diverse patterns of aerosol daytime variation suggest that geostationary satellite measurements would be invaluable for characterizing aerosol temporal variations on regional and continental scales. In particular, simultaneous measurements of aerosols and aerosol precursors from a geostationary satellite would greatly aid in understanding the evolution of aerosol as determined by emissions, chemical transformations, and transport processes.

Zhang, Yan↗

NASA NTRS2013

Influence of Observed Diurnal Cycles of Aerosol Optical Depth on Aerosol Direct Radiative Effect

The diurnal variability of aerosol optical depth (AOD) can be significant, depending on location and dominant aerosol type. However, these diurnal cycles have rarely been taken into account in measurement-based estimates of aerosol direct radiative forcing (ADRF) or aerosol direct radiative effect (ADRE). The objective of our study was to estimate the influence of diurnal aerosol variability at the top of the atmosphere ADRE estimates. By including all the possible AERONET sites, we wanted to assess the influence on global ADRE estimates. While focusing also in more detail on some selected sites of strongest impact, our goal was to also see the possible impact regionally.We calculated ADRE with different assumptions about the daily AOD variability: taking the observed daily AOD cycle into account and assuming diurnally constant AOD. Moreover, we estimated the corresponding differences in ADREs, if the single AOD value for the daily mean was taken from the the Moderate Resolution Imaging Spectroradiometer (MODIS) Terra or Aqua overpass times, instead of accounting for the true observed daily variability. The mean impact of diurnal AOD variability on 24 h ADRE estimates, averaged over all AERONET sites, was rather small and it was relatively small even for the cases when AOD was chosen to correspond to the Terra or Aqua overpass time. This was true on average over all AERONET sites, while clearly there can be much stronger impact in individual sites. Examples of some selected sites demonstrated that the strongest observed AOD variability (the strongest morning afternoon contrast) does not typically result in a significant impact on 24 h ADRE. In those cases, the morning and afternoon AOD patterns are opposite and thus the impact on 24 h ADRE, when integrated over all solar zenith angles, is reduced. The most significant effect on daily ADRE was induced by AOD cycles with either maximum or minimum AOD close to local noon. In these cases, the impact on 24 h ADRE was typically around 0.1-0.2W/sq m (both positive and negative) in absolute values, 5-10% in relative ones.

optical depth↗

NASA NTRS1989

On modelling the residual strength of impact damaged, compression loaded laminates

A methodology is presented to predict the residual compression strength of impact damaged composite laminates by considering the competing failure modes of local delamination buckling and compression failure. The minimum delamination buckling load and the location of the first local region to buckle are determined by a Rayleigh-Ritz analysis. The Rayleigh-Ritz analysis is formulated to account for the multiple delamination locations, Poisson's ratio mismatch between sublaminates and possible bending-stretching coupling behavior of the delaminated regions. The compression failure load is determined by a modified maximum strain criterion applied in the delaminated region. The minimum delamination buckling and compression failure loads may be compared to the global buckling load to predict initial failure. For non-catastrophic failures, failure sequences are predicted in an iterative manner. Analytical predictions for sequential failure modes and loads are shown to correlate well with experimental results. A comparative evaluation of various delamination buckling models and their accuracy in predicting experimental results is also presented.

Davidson, B. D.↗

DOE OSTI2021

The electron-transfer intermediates of the oxygen evolution reaction (OER) as polarons by in situ spectroscopy

The conversion of diffusive forms of energy (electrical and light) into short, compact chemical bonds by catalytic reactions regularly involves moving a carrier from an environment that favors delocalization to one that favors localization. While delocalization lowers the energy of the carrier through its kinetic energy, localization creates a polarization around the carrier that traps it in a potential energy minimum. The trapped carrier and its local distortion—termed a polaron in solids—can play a role as a highly reactive intermediate within energy-storing catalytic reactions but is rarely discussed as such. Here, we present this perspective of the polaron as a catalytic intermediate through recent in situ and time-resolved spectroscopic investigations of photo-triggered electrochemical reactions at material surfaces. The focus is on hole-trapping at metal–oxygen bonds, denoted M–OH*, in the context of the oxygen evolution reaction (OER) from water. The potential energy surface for the hole-polaron defines the structural distortions from the periodic lattice and the resulting “active” site of catalysis. This perspective will highlight how current and future time-resolved, multi-modal probes can use spectroscopic signatures of M–OH* polarons to obtain kinetic and structural information on the individual reaction steps of OER. A particular motivation is to provide the background needed for eventually relating this information to relevant catalytic descriptors by free energies. Lastly, the formation of the O–O chemical bond from the consumption of M–OH*, required to release O 2 and store energy in H 2 , will be discussed as the next target for experimental investigations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

On resistive interchange, double tearing, and resonant and non-resonant infernal modes in spherical tokamak negative central shear discharges

We examine the linear and nonlinear stability of a sequence of reversed shear NSTX equilibria with the same toroidal current density and pressure profile but with different toroidal field strengths. All equilibria have two q = 2 surfaces and have q > 1 everywhere. For this sequence, which all have β P ∼ 0.5, as the minimum value of q decreases below about 1.4, the localized resistive interchange criterion is strongly violated, and the unstable mode with toroidal mode number n=1 changes its dominant poloidal mode number m from a (m,n)=(2,1) double tearing mode to a non-resonant (1,1) infernal mode. This (1,1) mode nonlinearly flattens both the current density and the pressure near the magnetic axis. The higher-n unstable modes are all resistive infernal modes localized around the surface where q has a minimum and the magnetic shear vanishes. They generally saturate nonlinearly at low amplitude but can cause magnetic surface breakup near the axis.

Spitzer resistivity↗

DOE OSTI2022

Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model

For the past 50 years, researchers have sought molecular models that can accurately reproduce water’s microscopic structure and thermophysical properties across broad ranges of its complex phase diagram. Herein, molecular dynamics simulations with the many-body MB-pol model are performed to monitor the thermodynamic response functions and local structure of liquid water from the boiling point down to deeply supercooled temperatures at ambient pressure. The isothermal compressibility and isobaric heat capacity show maxima near 223 K, in excellent agreement with recent experiments, and the liquid density exhibits a minimum at ~208 K. A local tetrahedral arrangement, where each water molecule accepts and donates two hydrogen bonds, is found to be the most probable hydrogen-bonding topology at all temperatures. Further, this work suggests that MB-pol may provide predictive capability for studies of liquid water’s physical properties across broad ranges of thermodynamic states, including the so-called water’s “no man’s land” which is difficult to probe experimentally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1995

GOES weather satellite observations and measurements of the May 18, 1980, Mount St. Helens eruption

We demonstrate the use of Geostationary Operational Environmental Satellite (GOES) images of the May 18, 1980, Mount St. Helens volcanic plume in providing details of the dynamics and changing character of this major explosive eruption. Visible and thermal infrared (IR) data from a sequence of images at 30-min intervals from 0850 to 1720 Local Time (LT) give information on dispersal and plume top temperature. Initial visible and IR images at 0850 show the top of a spreading co-ignimbrite-like umbrella plume and an overshooting column emerging from it, both rising off the ground-hugging pyroclastic gravity flow generated by the opening directed blast. The overshooting column had a minimum temperature significantly colder than local ambient atmosphere, indicating substantial undercooling, and a maximum altitude of 31 +/- 2 km at 0920. This large plume system then formed a high-velocity, radially spreading, gravitationally driven current before becoming advected in the wind field at an average downwind velocity of 29 m/s. Reflectance values from visible GOES data change from lower to higher during periods of transition from darker toned Plinian to lighter toned co-ignimbrite plumes indicating that in this case satellite data resolved changes in eruptive style from plumes with a coarser to a finer dominant particle size.

Holasek, R. E.↗

NASA NTRS2003

Chronic shear induces caveolae formation and alters ERK and Akt responses in endothelial cells

Caveolae are plasmalemmal domains enriched with cholesterol, caveolins, and signaling molecules. Endothelial cells in vivo are continuously exposed to shear conditions, and their caveolae density and location may be different from that of static cultured cells. Here, we show that chronic shear exposure regulates formation and localization of caveolae and caveolin-1 in bovine aortic endothelial cells (BAEC). Chronic exposure (1 or 3 days) of BAEC to laminar shear increased the total number of caveolae by 45-48% above static control. This increase was due to a rise in the luminal caveolae density without changing abluminal caveolae numbers or increasing caveolin-1 mRNA and protein levels. Whereas some caveolin-1 was found in the plasma membrane in static-cultured cells, it was predominantly localized in the Golgi. In contrast, chronic shear-exposed cells showed intense caveolin-1 staining in the luminal plasma membrane with minimum Golgi association. The preferential luminal localization of caveolae may play an important role in endothelial mechanosensing. Indeed, we found that chronic shear exposure (preconditioning) altered activation patterns of two well-known shear-sensitive signaling molecules (ERK and Akt) in response to a step increase in shear stress. ERK activation was blunted in shear preconditioned cells, whereas the Akt response was accelerated. These results suggest that chronic shear stimulates caveolae formation by translocating caveolin-1 from the Golgi to the luminal plasma membrane and alters cell signaling responses.

NASA Discipline Cell Biology↗