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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Map of the Zintl AM 2 Pn 2 Compounds: Influence of Chemistry on Stability and Electronic Structure

The AM 2 Pn 2 (A= Ca, Sr, Ba, Yb, Mg; M = Zn, Cd, Mg; and Pn = N, P, As, Sb, Bi) family of Zintl phases has been known as thermoelectric materials and has recently gained much attention for highly promising materials for solar absorbers in single-junction and tandem solar cells. In this paper, we will, from first principles, explore the entire family of AM 2 Pn 2 compounds in terms of their ground-state structure, thermodynamic stability, and electronic structure. We also perform photoluminescence spectroscopy on bulk powder and thin film samples to verify our results, including the first measurements of the band gaps of SrCd 2 P 2 and CaCd 2 P 2 . The AM 2 Pn 2 compounds exhibit broad stability, are mostly isostructural to CaAl 2 Si 2 (P$\overline{3}$m1), and cover a wide range of band gaps from 0 to beyond 3 eV. This could make them useful for a variety of purposes, for which we propose several candidates, such as CaZn 2 N 2 for tandem top cell solar absorbers and SrCd 2 Sb 2 and CaZn 2 Sb 2 for infrared detectors. By examining the band structures of the AM 2 Pn 2 , we find that Mg 3 Sb 2 has the most promise as a thermoelectric material due to several off-Γ valence band pockets, which are unique to it among the compositions studied here.

14 SOLAR ENERGY↗
DOE OSTI2020

Harnessing the power of ab initio calculations, distributed computing and machine learning to efficiently locate extreme molecules for use in carbon-based solar cells (Final Technical Report)

The use of high-throughput virtual screening (HTVS) tools is a powerful tool to expedite the materials discovery of commercially relevant materials. In previous years, our group has developed a molecular discovery platform to generate libraries in order to obtain suitable candidates for different applications, starting from the Harvard Clean Energy Project. This platform is suitable to test in-silico on traditional supercomputing clusters and shared resources, for example, in the IBM World Community Grid. In this project, we used the molecular discovery platform to create and screen a library of candidates of organic photovoltaic (OPVs) molecules. Based on a set of candidates created with combinations of molecular moieties, we were able to filter, by conformation stability, the energy of electronic orbitals and approximated power conversion efficiencies (PCE). To improve the predictions of orbital energies calculated and the PCEs, we used Gaussian Process regression and two sets of molecules. These sets correspond to electronic structure calculations of a higher level of theory and experimental PCE values, respectively. Finally, we selected a subset of the best candidates (molecules with a PCE higher than 10%) to understand its absorbance properties with TD-DFT. This project has demonstrated the capabilities of our molecular discovery platform for HTVS. Finally, machine learning can help us to introduce more complex effects included in bulk conditions and computational intensive calculations on models.

14 SOLAR ENERGY↗
NASA NTRS1977

Far-ultraviolet studies. II - Galactic-latitude dependence of the 1530 A interstellar radiation field

A 0.62-sq cm Geiger counter, sensitive between 1425 and 1640 A, was used to map the far-ultraviolet brightness of about half the sky, providing an experimental measurement of the far-ultraviolet interstellar radiation field. At 1530 A, the energy density is approximately 7.4 by 10 to the -17th power erg/cu cm per A. Comparison with integrations of star catalogs calibrated to the ultraviolet shows, as expected, that the bulk of the radiation comes directly from B- and A-type stars. The galactic-latitude dependence of the radiation is analyzed in an unsuccessful attempt to set limits on the absorbing and scattering properties of the interstellar grains in the far-ultraviolet. Excess radiation observed at the galactic pole is probably residual airglow from above the rocket altitude.

Henry, R. C.↗
NASA NTRS1980

Some possible effects of Jupiter's rings on the Jovian inner plasmasphere

The ionospheric plasma density on magnetic field lines threading the Jovian rings which are located inside approximately 1.8 Jupiter radii on the jovigraphic equatorial plane is calculated by using a rotating ion exosphere model. It is found that the bulk of the ionospheric particles on these field lines are on ballistic trajectories. On field lines approximately symmetric with respect to the jovigraphic equator, the ring, which to a first approximation would absorb the population of trapped particles, consequently has little effect. On field lines which are made asymmetric by the higher-order multipoles of Jupiter's field and the tilt of the dipole axis, the rings may have a significant effect. It is suggested that better definition of the rings' atmospheric and ionospheric properties is required to model these localized effects. If the rings are found to be an important plasma source for the inner magnetosphere, the present exospheric model will have to be revised.

Luhmann, J. G.↗
NASA NTRS1983

Analysis of a MIL-L-27502 lubricant from a gas-turbine engine test by size-exclusion chromatography

Size exclusion chromatography was used to determine the chemical degradation of MIL-L-27502 oil samples from a gas turbine engine test run at a bulk oil temperature of 216 C. Results revealed a progressive loss of primary ester and additive depletion and the formation of higher molecular weight products with time. The high molecular weight products absorbed strongly in the ultraviolet indicating the presence of chromophoric groups.

Jones, W. R., Jr.↗
DOE OSTI2026

Grain Boundary Effects on Radiation Damage and Tritium Diffusion in Li–Al–O Ceramics from Molecular Dynamics and Experiments

Understanding irradiation damage and tritium transport in LiAlO2 ceramics is essential for their deployment in tritium-producing burnable absorber rods (TPBARs). Grain boundaries (GBs) play an important role in governing radiation response and tritium transport in LiAlO2 and its secondary phase LiAl5O8. Using molecular dynamics simulations, we investigated defect evolution and tritium diffusion during displacement cascades in single-crystal and bicrystal LiAlO2 and LiAl5O8 at 600 K. The results reveal that GBs suppress the damage in the LiAlO2 bicrystals as compared to single crystals, via interstitial emission. The effect is more pronounced for Li defects, than for Al and O. In LiAl5O8 the damage reduction due to introduction of GB is less pronounced overall. Tritium diffusion coefficients at GBs are higher by factors of 2–10 relative to diffusion inside grain bulk. The effect is particularly pronounced in LiAlO2, where S5, S17, and S25 GBs promote rapid tritium transport, whereas LiAl5O8 exhibits slower diffusion due to reduced free volume at its GBs. These findings evince a trade-off that while GBs mitigate radiation damage by absorbing interstitials, they simultaneously provide fast pathways for tritium migration which is not desirable for TPBAR application. The mechanistic insights gained here establish a foundation for microstructural design strategies to balance radiation tolerance and tritium retention in ceramic breeder materials.

Roy, Ankit↗
DOE OSTI2023

A near magnetic-to-kinetic energy equipartition flare from the relativistic jet in AO 0235 + 164 during 2013–2019

ABSTRACT We present the multiwavelength flaring activity of the blazar AO 0235 + 164 during its recent active period from 2013 to 2019. From a discrete correlation function analysis, we find a significant ($\gt 95~{{\ \rm per\ cent}}$) correlation between radio and gamma-ray light curves with flares at longer wavelengths following flares at shorter wavelengths. We identify a new jet component in 43 GHz Very Long Baseline Array data that was ejected from the radio core on MJD $57246^{+26}_{-30}$ (2015 August 12), during the peak of the 2015 radio flare. From the analysis of the jet component, we derived a Doppler factor of δvar = 28.5 ± 8.4, a bulk Lorentz factor of $\Gamma =16.8^{+3.6}_{-3.1}$, and an intrinsic viewing angle of $\theta _{\rm v}=1.42^{+1.07}_{-0.52}\textrm {~degrees}$. Investigation of the quasi-simultaneous radio data revealed a partially absorbed spectrum with the turnover frequency varying in the range of 10−70 GHz and the peak flux density varying in the range of 0.7−4 Jy. We find the synchrotron self-absorption magnetic field strength to be $B_{\rm SSA}=15.3^{+12.6}_{-14.0}\textrm {~mG}$ at the peak of the 2015 radio flare, which is comparable to the equipartition magnetic field strength of $B_{\rm EQ}=43.6^{+10.6}_{-10.4}\textrm {~mG}$ calculated for the same epoch. Additional analysis of the radio emission region in the relativistic jet of AO 0235 + 164 suggests that it did not significantly deviate from equipartition during its recent flaring activity.

Astronomy & Astrophysics↗
NASA NTRS1983

Propagation of sound in highly porous open-cell elastic foams

This work presents both theoretical predictions and experimental measurements of attenuation and progressive phase constants of sound in open-cell, highly porous, elastic polyurethane foams. The foams are available commercially in graded pore sizes for which information about the static flow resistance, thermal time constant, volume porosity, dynamic structure factor, and speed of sound is known. The analysis is specialized to highly porous foams which can be efficient sound absorbers at audio frequencies. Negligible effect of internal wave coupling on attenuation and phase shift for the frequency range 16-6000 Hz was predicted and no experimentally significant effects were observed in the bulk samples studied. The agreement between predictions and measurements in bulk materials is excellent. The analysis is applicable to both the regular and compressed elastic open-cell foams.

Lambert, R. F.↗
NASA NTRS1986

Conditional symmetric instability and mesoscale rainbands

The linear theory of conditional symmetric instability (CSI) is re-examined in a rigorous framework. In comparison with symmetric instability a new feature of CSI is that the moist updraught tends to be narrow, as with conditional buoyancy instability (CBI). As the width of the moist updraught varies from its tolerance maximum to infinitesimal, the inviscid growth rate increases from zero to its maximum and the slope of the moist updraught increases from the absolute momentum surface to the moist most unstable surface. The fact that CSI circulations absorb energy from the basic shear and moist thermal field but lose energy to the dry basic thermal field is responsible for the narrow and slant feature of the moist updraught. When a bulk viscosity is accounted for, the most rapidly growing CSI modes bear a qualitative resemblance to some observed rainbands. The stability criterion of viscous CSI also shows a better comparison with observational data than inviscid CSI. The linear CSI theory here predicts that the isolated mode is preferred to other non-isolated (periodic or irregular spacing) modes. The preference of non-isolated modes is speculated to occur in the nonlinear stage.

Xu, Q.↗
DOE OSTI2022

Nanoporous Titanium (Oxy)nitride Films as Broadband Solar Absorbers

Broadband absorption of solar light is a key aspect in many applications that involve an efficient conversion of solar energy to heat. Titanium nitride (TiN)-based materials, in the form of periodic arrays of nanostructures or multilayers, can promote significant heat generation upon illumination thanks to their efficient light absorption and refractory character. In this work, pulsed laser deposition was chosen as a synthesis technique to shift metallic bulk-like TiN to nanoparticle-assembled hierarchical oxynitride (TiO x N y ) films by increasing the background gas deposition pressure. The nanoporous hierarchical films exhibit a tree-like morphology, a strong broadband solar absorption (~90% from the UV to the near-infrared range), and could generate temperatures of ~475 °C under moderate light concentration (17 Suns). The high heat generation achieved by treelike films is ascribed to their porous morphology, nanocrystalline structure, and oxynitride composition, which overall contribute to a superior light trapping and dissipation to heat. These properties pave the way for the implementation of such films as solar absorber structures.

14 SOLAR ENERGY↗
NASA NTRS2003

Surface-Micromachined Planar Arrays of Thermopiles

Planar two-dimensional arrays of thermopiles intended for use as thermal-imaging detectors are to be fabricated by a process that includes surface micromachining. These thermopile arrays are designed to perform better than do prior two-dimensional thermopile arrays. The lower performance of prior two-dimensional thermopile arrays is attributed to the following causes: The thermopiles are made from low-performance thermoelectric materials. The devices contain dielectric supporting structures, the thermal conductances of which give rise to parasitic losses of heat from detectors to substrates. The bulk-micromachining processes sometimes used to remove substrate material under the pixels, making it difficult to incorporate low-noise readout electronic circuitry. The thermoelectric lines are on the same level as the infrared absorbers, thereby reducing fill factor. The improved pixel design of a thermopile array of the type under development is expected to afford enhanced performance by virtue of the following combination of features: Surface-micromachined detectors are thermally isolated through suspension above readout circuitry. The thermopiles are made of such high-performance thermoelectric materials as Bi-Te and Bi-Sb-Te alloys. Pixel structures are supported only by the thermoelectric materials: there are no supporting dielectric structures that could leak heat by conduction to the substrate.

Foote, Marc C.↗
NASA NTRS1995

The Local Ly(alpha) Forest: Association of Clouds with Superclusters and Voids

The Goddard High Resolution Spectrograph aboard the Hubble Space Telescope was used with the G160M grating to obtain high-resolution (6.2 A) spectra of three very bright active galactic nuclei located behind voids in the nearby distribution of bright galaxies (i.e., CfA and Arecibo redshift survey regions). A total of eight definite (greater than or equal to 4 sigma) Ly(alpha) absorption lines were discovered ranging in equivalent width from 26 to 240 mA at Galactocentric velocities 1740-7740 km/s. Of these eight systems, we locate seven in supercluster structures and one, in the sight line of Mrk 501 at 7740 km/s, in a void. In addition, one of two tentative (3-4 sigma) Ly(alpha) absorption lines are found in voids. Thus, the voids are not entirely devoid of matter, and not all Ly(alpha) clouds are associated with galaxies. Also, since the path lengths through voids and superclusters probed by our observations thus far are nearly equal, there is some statistical evidence that the Ly(alpha) clouds avoid the voids. The nearest galaxy neighbors to these absorbing clouds are 0.45-5.9 Mpc away, too far to be physically associated by most models. The lower equivalent width absorption lines (W(sub lambda) less than or equal to 100 mA) are consistent with random locations with respect to galaxies and may be truly intergalactic, similar to the bulk of the Ly(alpha) forest seen at high z. These results on local Ly(alpha) clouds are in full agreement with those found by Morris et al. (1993) for the 3C 273 sight line but are different from the results for higher equivalent width systems where closer cloud-galaxy associations were found by Lanzetta et al. (1994). Pencil-beam optical and 21 cm radio line observations of the area of sky surrounding Mrk 501 fail to find faint galaxies near the velocities of the Ly(alpha) clouds in that sight line. Specifically, for the 'void absorption' system at 7740 km/s, we find no galaxy at comparable redshift to the absorber within 100 h(sub 75)(sup -1) kpc (H(sub 0) = 75 h(sub 75) km/s Mpc(sup -1)) with an absolute magnitude of B less than or equal to - 16 and no object with H I mass greater than or equal to 7 x 10(exp 8) h(sub 75)(sup -2) M(solar) within 500 h(sub 75)(sup -1) kpc. Thus, neither a faint optical galaxy nor a gas-rich, optically dim or low surface brightness galaxy is present close to this absorber.

Stocke, John T.↗
DOE OSTI2026

NASA’s Pandora SmallSat Mission: Simulated Modeling and Retrieval of Near-infrared Exoplanet Transmission Spectra

Pandora is a SmallSat mission dedicated to understanding exoplanets and their host stars by disentangling the impact of stellar heterogeneity on exoplanet transmission spectra. Selected as a NASA Astrophysics Pioneers mission in 2021, Pandora will provide simultaneous long-term visible photometric monitoring (0.4–0.7 μm) and low-resolution near-infrared (NIR) spectroscopy (0.9–1.6 μm) of transiting systems for the purposes of monitoring host star variability and characterizing exoplanetary atmospheres. Pandora’s year-long prime mission from 2026 to 2027 coincides with the middle of a decade defined by targeted efforts for atmospheric characterization of exoplanets, offering a key opportunity to leverage this new resource to maximize science with JWST and other observatories. Here we investigate Pandora’s anticipated performance for the general exoplanet population accessible to transit spectroscopy, from hot Jupiters to temperate sub-Neptunes. By modeling the atmospheres of five test cases broadly consistent with the bulk properties of HD 209458b, HD 189733b, WASP-80 b, HAT-P-18 b, and K2-18 b, we find that Pandora may provide abundance constraints as precise as ∼1.0 dex for main atmospheric absorbers such as H 2 O and CH 4 . Then, we explore the synergies between Pandora and JWST. Our results suggest that targets with JWST data in the NIR can benefit from the addition of Pandora observations and result in more reliable abundance estimates than with JWST data alone. Moreover, Pandora can serve the community by providing precursory observations of targets of interest for JWST atmospheric characterization. We conclude by outlining strategies for the use of Pandora as a standalone observatory and in synergy with JWST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Observation of high-pressure polymorphs in bulk silicon formed at relativistic laser intensities

Silicon polymorphs with exotic electronic and optical properties have recently attracted significant attention due to their wide range of useful band gap characteristics. They are typically formed by static high-pressure techniques, which limits the crystal structures that can be made. This constitutes a major obstacle to study these polymorphs and their incorporation into existing technology. Approaches have attempted to address this shortcoming through using dynamic conditions and chemical precursor materials. Here, we report on an approach to create unusual crystal structures deep in the bulk of a silicon crystal by irradiating it with a laser pulse at ultrarelativistic intensity of up to 7.5 × 10 19 W/ c m 2 . Laser-generated electrons with MeV energy swiftly penetrate the target with speed close to the speed of light and deposit their energy into a large volume across the whole thickness of the sample. The relativistic electron current creates, via branching propagation and ionization, high-energy-density conditions for thermodynamically nonequilibrium phase transformation paths into new crystal polymorphs. X-ray microdiffraction and synchrotron x-ray diffraction analyses indicate, along with conventional dc-Si, the presence of exotic silicon structures in the bulk of the laser intact target volume. These structures are identified as body-centered bc8-Si, rhombohedral r8-Si, hexagonal-diamond hd-Si, and the tetragonal Si-VIII, all phases of Si that have previously been made through static techniques. Additionally, simple-tetragonal st12-Si and body-centered tetragonal bt8-Si were observed along with signatures of not yet identified diffraction spots. Both st12-Si and bt8-Si have only been observed in ultrafast laser microexplosion conditions at much lower laser intensity ∼ 10 14 W/ c m 2 and within a micron-thin surface layer. The findings here are supported by direct observation of nanoparticles with high-resolution transmission electron microscopy and corresponding fast Fourier transform analysis of their interatomic distances. The presented analyses of absorbed laser energy, generation of the MeV electron current, and deposition of energy across the whole target thickness provide a solid basis for drawing the conclusion that the observed silicon polymorphs were produced because of laser-generated high-energy electrons fast-penetrating deeply into the bulk of silicon. In contrast to solid-solid transformations, the plasma-solid transitions offer a paradigm for the creation of exotic, high-energy density materials inside the bulk of the sample by using laser pulses at relativistic intensities. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

Zero-G Thermodynamic Venting System (TVS) Performance Prediction Program

This report documents the Zero-g Thermodynamic Venting System (TVS) performance prediction computer program. The zero-g TVS is a device that destratifies and rejects environmentally induced zero-g thermal gradients in the LH2 storage transfer system. A recirculation pump and spray injection manifold recirculates liquid throughout the length of the tank thereby destratifying both the ullage gas and liquid bulk. Heat rejection is accomplished by the opening of the TVS control valve which allows a small flow rate to expand to a low pressure thereby producing a low temperature heat sink which is used to absorb heat from the recirculating liquid flow. The program was written in FORTRAN 77 language on the HP-9000 and IBM PC computers. It can be run on various platforms with a FORTRAN compiler.

Nguyen, Han↗
DOE OSTI2023

Degradation behavior of CIGS solar Cells: A parametric analysis

A parametric study of the effect of bulk and interface properties on device characteristics as a function of heat and light stress under open-circuit and short-circuit conditions is developed for Cu(In,Ga)(S,Se) 2 solar cells using SCAPS-1D simulator. The variables and interdependencies modeled include: (1) conduction band offset (CBO) between buffer and absorber; (2) buffer ionized donor density; (3) CIGS shallow acceptor density; (4) CIGS deep acceptor density; (5) CIGS shallow donor density; (6) ionized acceptor concentration in the ordered vacancy compound (OVC) CIGS/buffer interface; and (7) back contact work-function. An increase in absorber shallow acceptor or a decrease in shallow donor density results in an increase in net carrier density and open-circuit voltage (V OC ). Further, a decrease in V OC is observed with an increase in the deep acceptors or neutral midgap defects in the CIGS due to higher charge carrier recombination. A change of CBO from spike to cliff condition is a dominant mechanism of decreasing VOC with an interface defect density of 10 12 cm -2 . The minimum depletion width is found to be specifically sensitive to CBO and interface defect density. An inflection in the capacitance–voltage curves (in reverse bias) is observed with simultaneous increase in bulk deep acceptor density and shallow donor density near the back contact.

14 SOLAR ENERGY↗
NASA NTRS2018

A Method for Mapping Future Urbanization in the United States

Cities are poised to absorb additional people. Their sustainability, or ability to accommodate a population increase without depleting resources or compromising future growth, depends on whether they harness the efficiency gains from urban land management. Population is often projected as a bulk national number without details about spatial distribution. We use Landsat and population data in a methodology to project and map U.S. urbanization for the year 2020 and document its spatial pattern. This methodology is important to spatially disaggregate projected population and assist land managers to monitor land use, assess infrastructure and distribute resources. We found the U.S. west coast urban areas to have the fastest population growth with relatively small land consumption resulting in future decrease in per capita land use. Except for Miami (FL), most other U.S. large urban areas, especially in the Midwest, are growing spatially faster than their population and inadvertently consuming land needed for ecosystem services. In large cities, such as New York, Chicago, Houston and Miami, land development is expected more in suburban zones than urban cores. In contrast, in Los Angeles land development within the city core is greater than in its suburbs.

Bounoua, Lahouari↗
DOE OSTI2025

Hierarchical Hybrid Multifunctional Materials through Interface Engineering

This project focuses on the development of stimuli-responsive hybrid multifunctional materials. We place emphasis on the design, synthesis, structural characterization, evaluation of functional properties (electronic, thermal and optical) of several (1-x)Cu 2 Se/(x)WBGS hierarchical bulk composites between Cu 2 Se, a narrow band gap semiconductor (NBGS), with a range of wider band gap semiconductors (WBGS) such as CuMSe 2 (M = Al, Ga, In, Fe, Cr) and Cu 4 TiSe 4 . Cu2Se is a well-studied NBGS with excellent thermoelectric properties (high electrical conductivity, large thermopower, etc.) while CuMSe 2 and Cu 4 TiSe 4 are high performance solar absorber materials (large band gap, large absorption coefficient, etc.). Our primary objectives are (i) to demonstrate the ability to integrate dissimilar functional properties such as large optical absorption coefficient and high electronic conductivity, within (1-x)Cu 2 Se/(x)WBGS composite; and (ii) to establish the correlation between the hierarchical structural entanglement of Cu 2 Se with WBGS (CuMSe 2 or Cu 4 TiSe 4 ) phase, the interactions between native electronic defects within the coexisting phases in the resulting (1-x)Cu 2 Se/(x)WBGS bulk composites , and the impacts on their electronic conductivity, thermal transport and optical properties.

36 MATERIALS SCIENCE↗