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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Two-stage formation-energy correction (NbZr, TaZr, VZr)

This bundle contains the scripts, the raw and corrected per-structure data, and the manuscript plots for the NbZr / TaZr / VZr BCC binary formation energies and the associated RMSDs. Why a two-stage correction is necessary: The "raw" formation energy of every relaxed VASP configuration is computed in the usual way, FE_raw(c) = E_alloy(c) - sum_i x_i * E_pure_i , where E_pure_i are the per-atom total energies of the pure-element reference structures (Nb, Ta, V, Zr in the same BCC supercell, with identical INCAR / KPOINTS / PAW choices). With perfectly consistent reference runs the raw FE should vanish at the two pure-element endpoints (x = 0 and x = 1) by construction. In practice this does not hold for two reasons that are present in our dataset: 1. Reference-energy inconsistency (composition-dependent bias). Even with identical input parameters, the pure-element runs (stored in `corrected_DFT_pure_element_runs/`) differ slightly from the values that would be implied by the alloy runs at near-pure compositions (a few meV/atom). This bias is approximately linear in concentration, because the residual error in E_pure_Nb (or E_pure_Ta / E_pure_V) propagates into FE_raw(c) as (1 - x) * dE_pure_1, and the corresponding error in E_pure_Zr propagates as x * dE_pure_2. Left uncorrected, this produces a non-physical "tilt" of FE_raw(x) and shifts the entire FE-vs-x cloud away from zero at the endpoints. 2. Endpoint anchoring against the audited true endpoints. The strict endpoint values (FE_x0_meVatom, FE_x1_meVatom in `corrected_fe_strict_endpoints_20260518/strict_endpoint_check_20260518.csv`) were re-derived from an independent cross-check of the pure-element runs. After stage 1 removes the linear bias, the near-pure compositions in the alloy dataset still extrapolate to values that differ slightly from these audited endpoints — because stage 1 is fit from a few near-end alloy bins, not from the audited pure-element references themselves. The README.txt file discusses how these issues are addressed by the two-stage correction, and describes folder layout, pipeline summary, and how to re-run.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Synthesis of Large Molecules in Cometary Ice Analogs: Physical Properties Related to Self-Assembly Processes

The combination of realistic laboratory simulations and infrared observations have revolutionized our understanding of interstellar dust and ice-the main component of comets. Since comets and carbonaceous micrometeorites may have been important sources of volatiles and carbon compounds on the early Earth, their organic composition may be related to the origin of life. Ices on grains in molecular clouds contain a variety of simple molecules. The D/H ratios of the comets Hale-Bopp and Hyakutake are consistent with a primarily interstellar ice mixture. Within the cloud and especially in the presolar nebula through the early solar system, these icy grains would have been photoprocessed by the ultraviolet producing more complex species such as hexamethylenetetramine, polyoxymethylenes, and simple keones. We reported at the 1999 Bioastronomy meeting laboratory simulations studied to identify the types of molecules which could have been generated in pre-cometary ices. Experiments were conducted by forming a realistic interstellar mixed-molecular ice (H2O, CH3OH, NH3 and CO) at approximately 10 K under high vacuum irradiated with UV light from a hydrogen plasma lamp. The gas mixture was typically 100:50:1:1, however when different ratios were used material with similar characteristics was still produced. The residue that remained after warming to room temperature was analyzed by HPLC, and by several mass spectrometric methods. This material contains a rich mixture of complex compounds with mass spectral profiles resembling those found in IDPs and meteorites. Surface tension measurements show that an amphiphilic component is also present. These species do not appear in various controls or in unphotolyzed samples. Residues from the simulations were also dispersed in aqueous media for microscopy. The organic material forms 10-40 gm diameter droplets that fluoresce at 300-450 nm under UV excitation. These droplets have a morphology and internal structure which appear strikingly similar to those produced by extracts of the Murchison meteorite. Together, these results suggest a link between organic material photochemically synthesized on the cold grains in dense, interstellar molecular clouds and compounds that may have contributed to the organic inventory of the primitive Earth. For example, the amphiphilic properties of such compounds permit self-assembly into the membranous boundary structures that required for the first forms of cellular life.

Dworkin, Jason P.↗
DOE OSTI2023

Summary of atmospheric characteristics of days with inland penetrating sea breezes from 2015 to 2021

Abstract Sea breezes penetrate inland more than 100 km. Using 7 years of meteorological observations, we have identified 470 cases of deep inland (>100 km) penetrating sea breezes at the Savannah River Site between March and October (27% of days) of 2015–2021. We compared measurements of temperature, dewpoint temperature, incoming solar radiation, cloud fraction, and lightning on days of sea breeze initiation, the day after the sea breeze passage, and all other nonsea breeze (NSB) days for these 8 months over the 7 years. Days of sea breeze initiation were found to have lower cloud fraction, higher temperature, and greater incoming solar radiation compared with NSB days. Variations occurred by time of year as days after the sea breeze passage were found to have higher dewpoint temperature than NSB days in the spring. Lightning density measurements indicated that residual sea breeze conditions could drive earlier initiation of deep convection on days following the sea breeze than normal non sea breeze days. This data set provides a 7‐year record of sea breezes which can be leveraged for future studies.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1971

Computer simulation for attitude disturbance torques for the Tiros-series.

Description of the Tiros-M Magnetic Attitude Prediction Program (TMMGAP), a simulation program designed to assist in the rotational motion control of the Tiros-series spacecraft. The subsystems of the program include input, attitude simulation, executive, attitude control and output components, simulating solar radiation pressure torque, gravity gradient torque, residual magnetic moment torque, and magnetic attitude control torques. The program provides data for prelaunch studies for launch window selection and mission planning, facilitates spacecraft spin axis reorientation after launch, provides spin axis control recommendations to meet mission constraints, and assists in the interpretation of cloud cover data. The program is characterized as effective in controlling spin axis and in processing picture data.

Sugai, I.↗
NASA NTRS1974

Primary gamma rays

Within this galaxy, cosmic rays reveal their presence in interstellar space and probably in source regions by their interactions with interstellar matter which lead to gamma rays with a very characteristic energy spectrum. From the study of the intensity of the high energy gamma radiation as a function of galactic longitude, it is already clear that cosmic rays are almost certainly not uniformly distributed in the galaxy and are not concentrated in the center of the galaxy. The galactic cosmic rays appear to be tied to galactic structural features, presumably by the galactic magnetic fields which are in turn held by the matter in the arm segments and the clouds. On the extragalactic scale, it is now possible to say that cosmic rays are not universal at the density seen near the earth. The diffuse celestial gamma ray spectrum that is observed presents the interesting possibility of cosmological studies and possible evidence for a residual universal cosmic ray density, which is much lower than the present galactic cosmic ray density.

Fichtel, C. E.↗
NASA NTRS2011

Earth as an Extrasolar Planet: Earth Model Validation Using EPOXI Earth Observations

The EPOXI Discovery Mission of Opportunity reused the Deep Impact flyby spacecraft to obtain spatially and temporally resolved visible photometric and moderate resolution near-infrared (NIR) spectroscopic observations of Earth. These remote observations provide a rigorous validation of whole disk Earth model simulations used to better under- stand remotely detectable extrasolar planet characteristics. We have used these data to upgrade, correct, and validate the NASA Astrobiology Institute s Virtual Planetary Laboratory three-dimensional line-by-line, multiple-scattering spectral Earth model (Tinetti et al., 2006a,b). This comprehensive model now includes specular reflectance from the ocean and explicitly includes atmospheric effects such as Rayleigh scattering, gas absorption, and temperature structure. We have used this model to generate spatially and temporally resolved synthetic spectra and images of Earth for the dates of EPOXI observation. Model parameters were varied to yield an optimum fit to the data. We found that a minimum spatial resolution of approx.100 pixels on the visible disk, and four categories of water clouds, which were defined using observed cloud positions and optical thicknesses, were needed to yield acceptable fits. The validated model provides a simultaneous fit to the Earth s lightcurve, absolute brightness, and spectral data, with a root-mean-square error of typically less than 3% for the multiwavelength lightcurves, and residuals of approx.10% for the absolute brightness throughout the visible and NIR spectral range. We extend our validation into the mid-infrared by comparing the model to high spectral resolution observations of Earth from the Atmospheric Infrared Sounder, obtaining a fit with residuals of approx.7%, and temperature errors of less than 1K in the atmospheric window. For the purpose of understanding the observable characteristics of the distant Earth at arbitrary viewing geometry and observing cadence, our validated forward model can be used to simulate Earth s time dependent brightness and spectral properties for wavelengths from the far ultraviolet to the far infrared.brightness

Robinson, Tyler D.↗
NASA NTRS2018

The Adhesion Strength of Impact Ice Measured Using a Modified Lap Joint Test

Numerous methodologies have been utilized to measure the adhesion strength of impact ice, and the data reported in the literature varies significantly from test to test. In order to initiate an investigation to determine the cause of this disparity, a new test methodology has been developed and utilized in the Icing Research Tunnel at the NASA Glenn Research Center. Data was obtained while varying the temperature, test section velocity, and cloud droplet mean volumetric diameter. The first data set acquired using this new test method is presented. New trends demonstrate the effect of annealing ice samples, with temperature being a key variable. Observations during the test and analysis of the results suggest the presence of large residual stresses in the samples.

Work, Andrew H., Jr.↗
NASA NTRS1984

Use of satellite data in a diagnostic parameterization of convective heating

Heating estimates derived from a diagnostic technique using observed rainfall and GOES IR digital imagery were completed and evaluated for accuracy. A sensitivity analysis was done to examine assumptions regarding shape of the normalized mass flux profile, cloud precipitation efficiency, and existence of convective scale downdrafts. The results, which were derived using what are felt to be bounding limits of the assumptions, indicate that the heating estimates are reliable for use in diagnostic available potential energy (APE) budgets. Comparison to heating estimates derived as residuals in the thermodynamic equation show the level of maximum heating (near 300 mb) to be the same on a time averaged basis. Heating estimates were used to study the response of the large scale environment to the cumulus scale thermodynamic forcing. An analysis of the thermally forced component of vertical motion through the omega equation showed that a significant fraction of the total grid scale upward motion results from the heating provided by the condensation and vertical eddy heat transport in the convective cells.

Robertson, F. R.↗
NASA NTRS2013

Mars: A Planet with a Dynamic Climate System

Mars is a well-observed planet. Since the 1960s orbiters, landers, rovers, and earth-based telescopic observations show that its climate system is dynamic. Its dynamic nature, largely the result of atmosphere-surface interactions, is most obvious in the seasonal cycles of dust, water, and carbon dioxide that define the planet's climate system. These cycles are linked through the global circulation and MGS, Odyssey, Phoenix, MER, Mars Express, MRO, and now MSL have continuously observed them at Mars for the past 16 years. Their observations show that while the seasonal cycles are largely annually repeatable, there are interannual variations. Planet-encircling dust storms, for example, are quasi-triennial and originate over a broader range of seasons and locations than previously thought. Water moves from pole-to-pole each year in a largely, but not precisely, repeatable pattern that suggests but does not demand non-polar surface reservoirs. And the seasonal CO2 polar caps grow and retreat in a very predictable way with only minor deviations from year-to-year in spite of significant differences in atmospheric dust content. These behaviors suggest a complicated but robust coupled system in which these cycles interact to produce the greatest interannual variability in the dust cycle and least variability in the CO2 cycle. The nature of these interactions is the subject of ongoing research, but clouds, both water ice and CO2 ice, now appear to play a bigger role than believed at the end of the 20th century. There may also be some long-term trends in these cycles as there is evidence from imaging data, for example, that the south polar residual cap may not be stable on decadal to centennial time scales. On even longer time scales, the discovery of as much as 5 mb global equivalent of buried CO2 ice near the south pole, the detection of vast quantities of subsurface water ice at very shallow depths in midlatitudes of both hemispheres, and the presence of remnant glacial features at almost all latitudes, strongly suggests the possibility of significant climate change associated with orbital variations. Some of the major questions these data raise concern how closed the seasonal cycles are and which reservoirs are gaining or loosing, the cause of the large interannual variability of the dust cycle and how it couples to the water and CO2 cycles, and the mechanisms for the origin of past glacial activity and the emplacement and removal of subsurface ice. While many of these questions can be addressed with continued research based on existing data, new observations focused on atmosphere surface-interactions would provide valuable constraints on how dust, water, and CO2 move between the surface and atmosphere.

CO2 cycles↗
NASA NTRS1987

Convective heating and precipitation estimates for the tropical South Pacific during FGGE, 10-18 January 1979

Heat and moisture budgets are computed during part of the FGGE Special Observing Period-1 for an area containing the South Pacific convergence zone, deriving 12-hour precipitation rate estimates as residuals and comparing them with those derived from a GOES IR technique. Heat budget estimates are generally in good agreement with the IR estimates; the axis of maximum precipitation derived from tne heat budget is well aligned with the lowest values of outgoing long wave excitation, which represent high, cold cloud tops resulting from deep cumulus convection. The vertical advection term is found to be the dominant term in the heat budget; this, together with radiative cooling, yields the approximate balance between adiabatic cooling and diabatic heating.

Miller, Bernard L.↗
NASA NTRS1992

Silicon isotopic composition in large meteoritic SiC particles and Na-22 origin of Ne-22

Large SiC particles extracted from acid-insoluble residues of carbonaceous chondrites are isotopically anomalous in both silicon and carbon and contain isotopically extreme noble gases. These particles are thought to have originated in mass outflows from red giant stars and to have existed in the interstellar medium at the time the solar system formed from an interstellar cloud. Calculations show that the silicon isotope correlations in those large SiC particles can be generated only in the most massive carbon stars. Consequently, the almost pure Ne-22 in those particles must be interpreted as the condensation of radioactive Na-22 in the particles as they flowed away from the stars. The Na-22 is produced through proton capture by Ne-21 at the base of the surface convection zone. Ne-22 does not exist abundantly in helium shells hot enough to burn magnesium, which is necessary to establish the measured silicon isotopic composition.

Brown, Lawrence E.↗
NASA NTRS1983

Studies of proton-irradiated cometary-type ice mixtures

Cometary ice mixtures are studied in a laboratory experiment designed to simulate the temperature, pressure and radiation environments of the interstellar Oort cloud region, in order to test the hypothesized radiation synthesis mechanism for changing the characteristics of the outer few meters of a comet stored in the Oort cloud for 4.6 billion years. All experiments conducted confirm the synthesis of new molecular species in solid phase mixtures at 20 K. When CH4 is present in the irradiated ice mixture, long chained, voltaile hydrocarbon and CO2 are synthesized together with high molecular weight C compounds present in the room temperature residue. Due to radiation synthesis, about 1 percent of the ice was converted into a nonvolatile residue containing complicated C compounds not present in the blank samples. These results suggest that initial molecular abundances can be altered, and new species created, as a result of radiation synthesis. Irradiated mixtures exhibited thermoluminescence and pressure enhancements during warming, showing the synthesis of reactive species. Outbursts in new comets resulting from similar irradiation-induced exothermic activity would be expected to begin occurring at distances of the order of 100 AU.

Moore, M. H.↗
NASA NTRS1975

Mariner 6 and 7 picture analysis

Analysis of Mariner 6 and 7 far-encounter (FE) pictures is discussed. The purpose of the studies was to devise ways to combine digital data from the full set of FE pictures so as to improve surface resolution, distinguish clouds and haze patches from permanent surface topographic markings, deduce improved values for radius, oblateness, and spin-axis orientation, and produce a composite photographic map of Mars. Attempts to measure and correct camera distortions, locate each image in the frame, and convert image coordinates to martian surface coordinates were highly successful; residual uncertainties in location were considerably less than one pixel. However, analysis of the data to improve the radius, figure, and axial tilt and to produce a composite map was curtailed because of the superior data provided by Mariner 9. The data, programs, and intermediate results are still available (1976), and the project could be resumed with little difficulty.

Leighton, R. B.↗
NASA NTRS2015

Planetary Science with Balloon-Borne Telescopes

The National Aeronautics and Space Administration (NASA) and the planetary science community have recently been exploring the potential contributions of stratospheric balloons to the planetary science field. A study that was recently concluded explored the roughly 200 or so science questions raised in the Planetary Decadal Survey report and found that about 45 of those questions are suited to stratospheric balloon based observations. In September of 2014, a stratospheric balloon mission called BOPPS (which stands for Balloon Observation Platform for Planetary Science) was flown out of Fort Sumner, New Mexico. The mission had two main objectives, first, to observe a number of planetary targets including one or more Oort cloud comets and second, to demonstrate the applicability and performance of the platform, instruments, and subsystems for making scientific measurements in support planetary science objectives. BOPPS carried two science instruments, BIRC and UVVis. BIRC is a cryogenic infrared multispectral imager which can image in the.6-5 m range using an HgCdTe detector. Narrow band filters were used to allow detection of water and CO2 emission features of the observed targets. The UVVis is an imager with the science range of 300 to 600 nm. A main feature of the UVVis instrument is the incorporation of a guide camera and a Fine Steering Mirror (FSM) system to reduce image jitter to less than 100 milliarcseconds. The BIRC instrument was used to image targets including Oort cloud comets Siding Spring and Jacques, and the dwarf planet 1 Ceres. BOPPS achieved the first ever earth based CO2 observation of a comet and the first images of water and CO2 of an Oort cloud comet (Jacques). It also made the first ever measurement of 1Ceres at 2.73 m to refine the shape of the infrared water absorption feature on that body. The UVVis instrument, mounted on its own optics bench, demonstrated the capability for image correction both from atmospheric disturbances as well as some of the residual motion from the gondola that was not addressed by the gondolas coarse pointing systems. The mission met its primary science and engineering objectives. The results of the BOPPS mission will feed into the body of science knowledge but also feed into future planning for more science from balloon-borne platforms. A notional platform called Gondola for High-Altitude Planetary Science (GHAPS) has been explored and this concept platform can address a number of important decadal questions. This paper provides a summary of the assessment of potential balloon borne observations for planetary science purposes including where potential science contributions can be expected, the necessary performance characteristics of the platform, and other features required or desired. The BOPPS mission is summarized including descriptions of the main elements and key science and engineering results. The paper then briefly describes GHAPS, and the salient features that can make it a valuable tool for future planetary observations.

Telescope↗
NASA NTRS1993

Dense cores in dark clouds. VIII - Velocity gradients

An analysis of motions consistent with uniform rotation in dense cores is presented. Twenty-nine of the 43 cores studied have a statistically significant gradient. Some gradients are spatially continuous and are consistent with uniform rotation, but other apparent gradients are caused by clump-clump motion, or sharp localized gradients, within a map. The motions in L1495, B217, L1251, L43, B361, and L1551 are discussed in detail. In L1551, the residuals of the fit to the NH3 velocity field indicate an outflow from IRS5 in the same direction as the CO outflow. Gradient orientation appears to be preserved over a range of density, as evidenced by comparing results of NH3 to fits of (C-18)O and CS maps. The specific angular momentum is found to scale roughly as F exp 3/2, where R represents the diameter of the FWHM intensity contour in a map.

Goodman, A. A.↗
DOE OSTI2022

A Multi-Objective Approach for Optimizing Edge-Based Resource Allocation Using TOPSIS

Existing approaches for allocating resources on edge environments are inefficient and lack the support of heterogeneous edge devices, which in turn fail to optimize the dependency on cloud infrastructures or datacenters. To this extent, we propose in this paper OpERA, a multi-layered edge-based resource allocation optimization framework that supports heterogeneous and seamless execution of offloadable tasks across edge, fog, and cloud computing layers and architectures. By capturing offloadable task requirements, OpERA is capable of identifying suitable resources within nearby edge or fog layers, thus optimizing the execution process. Throughout the paper, we present results which show the effectiveness of our proposed optimization strategy in terms of reducing costs, minimizing energy consumption, and promoting other residual gains in terms of processing computations, network bandwidth, and task execution time. We also demonstrate that by optimizing resource allocation in computation offloading, it is then possible to increase the likelihood of successful task offloading, particularly for computationally intensive tasks that are becoming integral as part of many IoT applications such robotic surgery, autonomous driving, smart city monitoring device grids, and deep learning tasks. The evaluation of our OpERA optimization algorithm reveals that the TOPSIS MCDM technique effectively identifies optimal compute resources for processing offloadable tasks, with a 96% success rate. Moreover, the results from our experiments with a diverse range of use cases show that our OpERA optimization strategy can effectively reduce energy consumption by up to 88%, and operational costs by 76%, by identifying relevant compute resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

The crystal structure of Vibrio cholerae (6-4) photolyase reveals interactions with cofactors and a DNA-binding region

Photolyases (PLs) reverse UV-induced DNA damage using blue light as an energy source. Of these PLs, (6-4) PLs repair (6-4)-lesioned photoproducts. We recently identified a gene from Vibrio cholerae (Vc) encoding a (6-4) PL, but structural characterization is needed to elucidate specific interactions with the chromophore cofactors. Here, we determined the crystal structure of Vc (6-4) PL at 2.5 Å resolution. Our high-resolution structure revealed that the two well-known cofactors, flavin adenine dinucleotide and the photoantenna 6,7-dimethyl 8-ribityl-lumazin (DMRL), stably interact with an α-helical and an α/β domain, respectively. Additionally, the structure has a third cofactor with distinct electron clouds corresponding to a [4Fe-4S] cluster. Moreover, we identified that Asp106 makes a hydrogen bond with water and DMRL, which indicates further stabilization of the photoantenna DMRL within Vc (6-4) PL. Further analysis of the Vc (6-4) PL structure revealed a possible region responsible for DNA binding. The region located between residues 478 to 484 may bind the lesioned DNA, with Arg483 potentially forming a salt bridge with DNA to stabilize further the interaction of Vc (6-4) PL with its substrate. Our comparative analysis revealed that the DNA lesion could not bind to the Vc (6-4) PL in a similar fashion to the Drosophila melanogaster (Dm, (6-4)) PL without a significant conformational change of the protein. The 23rd helix of the bacterial (6-4) PLs seems to have remarkable plasticity, and conformational changes facilitate DNA binding. In conclusion, our structure provides further insight into DNA repair by a (6-4) PL containing three cofactors.

(6-4) lesioned photoproduct↗
NASA NTRS1995

Satellite-Sensor Calibration Verification Using the Cloud-Shadow Method

An atmospheric-correction method which uses cloud-shaded pixels together with pixels in a neighboring region of similar optical properties is described. This cloud-shadow method uses the difference between the total radiance values observed at the sensor for these two regions, thus removing the nearly identical atmospheric radiance contributions to the two signals (e.g. path radiance and Fresnel-reflected skylight). What remains is largely due to solar photons backscattered from beneath the sea to dominate the residual signal. Normalization by the direct solar irradiance reaching the sea surface and correction for some second-order effects provides the remote-sensing reflectance of the ocean at the location of the neighbor region, providing a known 'ground target' spectrum for use in testing the calibration of the sensor. A similar approach may be useful for land targets if horizontal homogeneity of scene reflectance exists about the shadow. Monte Carlo calculations have been used to correct for adjacency effects and to estimate the differences in the skylight reaching the shadowed and neighbor pixels.

Reinersman, P.↗