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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

REST-UV ABSORPTION LINES AS METALLICITY ESTIMATOR: THE METAL CONTENT OF STAR-FORMING GALAXIES AT z ∼ 5

We measure a relation between the depth of four prominent rest-UV absorption complexes and metallicity for local galaxies and verify it up to z∼3. We then apply this relation to a sample of 224 galaxies at 3.5 9 is characterized by 0.3–0.4 dex (in units of 12+log(O/H)) lower metallicities than at z ∼ 2, but comparable to z∼3.5. We find galaxies with weak or no Lyα emission to have metallicities comparable to z ∼ 2 galaxies and therefore may represent an evolved subpopulation of z∼5 galaxies. We find a correlation between metallicity and dust in good agreement with local galaxies and an inverse trend between metallicity and star-formation rate consistent with observations at z ∼ 2. The relation between stellar mass and metallicity (MZ relation) is similar to z∼3.5, but there are indications of it being slightly shallower, in particular for the young, Lyα-emitting galaxies. We show that, within a “bathtub” approach, a shallower MZ relation is expected in the case of a fast (exponential) build-up of stellar mass with an e-folding time of 100–200 Myr. Because of this fast evolution, the process of dust production and metal enrichment as a function of mass could be more stochastic in the first billion years of galaxy formation compared to later times.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1992

Simulated meteorite impacts and volcanic explosions: Ejecta analyses and planetary implications

Past cratering studies have focused primarily on crater morphology. However, important questions remain about the nature of crater deposits. Phenomena that need to be studied include the distribution of shock effects in crater deposits and crater walls; the origin of mono- and polymict breccia; differences between local and distal ejecta; deformation induced by explosive volcanism; and the production of unshocked, high-speed ejecta that could form the lunar and martian meteorites found on the Earth. To study these phenomena, one must characterize ejecta and crater wall materials from impacts produced under controlled conditions. New efforts at LLNL simulate impacts and volcanism and study resultant deformation. All experiments use the two-stage light-gas gun facility at LLNL to accelerate projectiles to velocities of 0.2 to 4.3 km/s, including shock pressures of 0.9 to 50 GPa. We use granite targets and novel experimental geometries to unravel cratering processes in crystalline rocks. We have thus far conducted three types of simulations: soft recovery of ejecta, 'frozen crater' experiments, and an 'artificial volcano. Our ejecta recovery experiments produced a useful separation of impactites. Material originally below the projectile remained trapped there, embedded in the soft metal of the flyer plate. In contrast, material directly adjacent to the projectile was jetted away from the impact, producing an ejecta cone that was trapped in the foam recovery fixture. We find that a significant component of crater ejecta shows no signs of strong shock; this material comes from the near-surface 'interference zone' surrounding the impact site. This phenomenon explains the existence of unshocked meteorites on the Earth of lunar and martian origin. Impact of a large bolide on neighboring planets will produce high-speed, weakly shocked ejecta, which may be trapped by the Earth's gravitational field. 'Frozen crater' experiments show that the interference zone is highly localized; indeed, disaggregation does not extend beyond approx. 1.5 crater radii. A cone-shaped region extending downward from the impact site is completely disaggregated, including powdered rock that escaped into the projectile tube. Petrographic analysis of crater ejecta and wall material will be presented. Finally, study of ejecta from 0.9- and 1.3-GPa simulations of volcanic explosions reveal a complete lack of shock metamorphism. The ejecta shows no evidence of PDF's, amorphization, high-pressure phases, or mosaicism. Instead, all deformation was brittle, with fractures irregular (not planar) and most intergranular. The extent of fracturing was remarkable, with the entire sample reduced to fragments of gravel size and smaller.

Gratz, A. J.↗
DOE OSTI2019

Uncovering Multiple Metal-Metal Bonding in a Tetranuclear Fluoride Rhenium Cluster or the Curious Case of {[Ni(H 2 O) 6 ](NH 4 ) 4 }[Re 4 F 18 ]·4H 2 O

The compound {[Ni(H 2 O) 6 ](NH 4 ) 4 }[Re 4 F 18 ]·4H 2 O (1) has been isolated and characterized by single-crystal X-ray diffraction, Raman spectroscopy and computational methods. The compound 1 crystallizes in the triclinic space group P 1 (a = 6.6620(9) Å, b = 9.7121(13) Å, c = 11.2007(15) Å, α = 67.644(2)°, β = 83.827(2)°, γ = 84.366(2)°). In 1, the [Re 4 F 18 ] 6– anion is composed of four Re(III) atoms bridged by two µ-bridging fluorine atoms and two di-µ-bridging fluorine atoms. Furthermore, in [Re 4 F 18 ] 6– , the shortest Re–Re distance (i.e., 2.3631(6) Å) is characteristic of the presence of a Re=Re double bond; the Re–F distances range from 1.854(6) to 2.008(5) Å. Theoretical calculations confirm the presence of a weak Re=Re double bond; the Mayer–Mulliken bond order of the doubly bridged Re atoms is 1.8097 and the natural localized molecular orbital bond order is 1.8751. The Raman spectrum of 1 has been measured and shows a series of bands in the region 167–1449 cm –1 that have been attributed to Re–F and Ni–O stretches, Re 4 F 18 ring breathing and NH 4 + bending and libration modes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Quantum-First Gravity

This paper elaborates on an intrinsically quantum approach to gravity, which begins with a general framework for quantum mechanics and then seeks to identify additional mathematical structure on Hilbert space that is responsible for gravity and other phenomena. A key principle in this approach is that of correspondence: this structure should reproduce spacetime, general relativity, and quantum field theory in a limit of weak gravitational fields. A central question is that of "Einstein separability," and asks how to define mutually independent subsystems, e.g. through localization. Familiar definitions involving tensor products or operator subalgebras do not clearly accomplish this in gravity, as is seen in the correspondence limit. Instead, gravitational behavior, particularly gauge invariance, suggests a network of Hilbert subspaces related via inclusion maps, contrasting with other approaches based on tensor-factorized Hilbert spaces. Finally, any such localization structure is also expected to place strong constraints on evolution, which are also supplemented by the constraint of unitarity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Optimal sample formulations for DNP SENS: The importance of radical-surface interactions

The efficacy of dynamic nuclear polarization (DNP) surface-enhanced NMR spectroscopy (SENS) is reviewed for alumina, silica, and ordered mesoporous carbon (OMC) materials, with vastly different surface areas, as a function of the biradical concentration. Importantly, our studies show that the use of a “one-size-fits-all” biradical concentration should be avoided when performing DNP SENS experiments and instead an optimal concentration should be selected as appropriate for the type of material studied as well as its surface area. In general, materials with greater surface areas require higher radical concentrations for best possible DNP performance. This result is explained with the use of a thermodynamic model wherein radical-surface interactions are expected to lead to an increase in the local concentration of the polarizing agent at the surface. We also show, using plane-wave density functional theory calculations, that weak radical-surface interactions are the cause of the poor performance of DNP SENS for carbonaceous materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Citizen science coupled with machine learning to quantify green-blue infrastructure cooling potential in Maricopa County, Arizona

Here, this study investigates the spatiotemporal cooling performance of green and blue infrastructure (GBI) in the Dobson Ranch urban neighborhood in Phoenix, Arizona. We leveraged citizen science near-surface (2 m) air temperature (Tair) measurements to train a highly accurate Tair predicting LightGBM machine learning model (R 2 : 0.986, MAE: 0.251 °C, RMSE: 0.585 °C). On June 16, 2024, the park area exhibited approximately 1 °C cooling effect (relative to the neighborhood mean) during both day and night. In contrast, the nearby artificial lake exhibited a stronger cooling effect of 2.4 °C during the day but a slight warming of 0.3 °C at night. At 00:00, locations 50 m downwind of the park were 0.3 °C warmer than the park, while locations 50 m upwind were 0.8 °C warmer. At 11:00, we observed that the downwind area is 0.8 °C cooler and the upwind area is 0.6 °C warmer—at the same 50 m distances relative to the park. We also observed 1 °C cooler and warmer effects respectively at the same 50 m downwind and upwind locations at 19:00 on June 17, 2024. Our data-driven analysis highlights potential limitations of car-traverse measurements, showing that failure to account for temporal variations during the traverse can lead to overestimation of Tair at night and underestimation during the day. Our analysis also showed only a weak correlation (coefficient: 0.48) between Landsat-derived land surface temperature (LST) and model predicted Tair at the time of the local Landsat overpass (∼11.00). This highlights the potential error of relying solely on LST for human thermal exposure analysis—particularly within the heterogenous built-environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Ambient and High Pressure CuNiSb 2 : Metal-Ordered and Metal-Disordered NiAs-Type Derivative Pnictides

The mineral Zlatogorite, CuNiSb 2 , was synthesized in the laboratory for the first time by annealing elements at ambient pressure (CuNiSb 2 -AP). Rietveld refinement of synchrotron powder X-ray diffraction data indicates that CuNiSb 2 -AP crystallizes in the NiAs-derived structure ( P 3 m 1, #164) with Cu and Ni ordering. The structure consists of alternate NiSb 6 and CuSb 6 octahedral layers via face-sharing. The formation of such structure instead of metal disordered NiAs-type structure ( P 6 3 / mm c, #194) is validated by the lower energy of the ordered phase by first-principle calculations. Interatomic crystal orbital Hamilton population, electron localization function, and charge density analysis reveal strong Ni-Sb, Cu-Sb, and Cu-Ni bonding and long weak Sb-Sb interactions in CuNiSb 2 -AP. The magnetic measurement indicates that CuNiSb 2 -AP is Pauli paramagnetic. First-principle calculations and experimental electrical resistivity measurements reveal that CuNiSb 2 -AP is a metal. The low Seebeck coefficient and large thermal conductivity suggest that CuNiSb 2 is not a potential thermoelectric material. Single crystals were grown by chemical vapor transport. The high pressure sample (CuNiSb 2 -8 GPa) was prepared by pressing CuNiSb 2 -AP at 700 °C and 8 GPa. However, the structures of single crystal and CuNiSb 2 -8 GPa are best fit with a disordered metal structure in the P 3 m 1 space group, corroborated by transmission electron microscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

The origin of metallic conductivity in Pt 3 O 4 : a first principles study

The platinum oxide Pt 3 O 4 exhibits metallic conductivity even though it contains square-planar PtO4 units, which in related oxides such as PtO are usually associated with insulating behavior. To identify the electronic origin of this anomalous metallicity, we performed a comprehensive first-principles study using the PBE and r 2 SCAN functionals together with Hubbard U corrections and spin-orbit coupling (SOC). Structural benchmarks show that r 2 SCAN with SOC and a moderate U value (<4 eV) reproduces the experimental lattice constants and formation enthalpy, whereas larger U values (~8 eV) destabilize the cubic structure. Across all functionals and U values considered in this work, Pt 3 O 4 remains metallic. Analyses of the projected density of states, band structures, charge-density isosurfaces, and bonding characteristics demonstrate that the dominant contribution to the metallic character originates from delocalized Pt–O–Pt hybridized antibonding states at the Fermi level. Direct Pt–Pt interactions are present but contribute less strongly to the conductivity. Bader charge analysis reveals only weak Pt charge disproportionation, consistent with mixed Pt II /Pt III character, and a small charge-transfer energy that prevents localization of the Pt 5d electrons even at elevated U. In contrast, PtO develops a Mott or charge-transfer gap under modest U despite having the same PtO 4 coordination environment. These findings demonstrate that persistent Pt–O–Pt covalency is the primary driver of metallicity in Pt 3 O 4 and support the view that this phase can remain conductive under oxygen reduction and oxygen evolution reaction conditions in fuel cell and electrolyzer environments.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Using eclogite retrogression to track the rapid exhumation of the Pliocene Papua New Guinea UHP Terrane

The D’Entrecasteaux Islands of eastern Papua New Guinea (PNG) host the youngest known ultrahigh-pressure terrane on Earth and represent the only location where ultrahigh-pressure (UHP) rocks have been exhumed in an active rift. The PNG (U)HP rocks, consisting of Pliocene eclogites, garnet amphibolites and migmatitic gneisses, are exposed in five domal structures across the Islands. Zirconium-in-rutile thermometry records peak temperatures of ~780°C from the eastern Oiatabu and nearby central Mailolo Domes, and hotter temperatures of ~825–865°C within the western Goodenough Dome. Uranium–lead (U–Pb) and trace element zircon compositions from a suite of eclogite, host gneiss, felsic dikes and pegmatite from three domes document the rapid exhumation history of the PNG UHP terrane. High-spatial resolution laser-ablation split-stream inductively coupled plasma-mass spectrometry (LASS ICP-MS) analyses of select eclogite zircons exhibit no resolvable age zoning within single crystals. The same eclogite zircons, combined with separate zircons extracted from additional eclogite, host gneiss and felsic intrusions, were subsequently analysed by high-precision U–Pb chemical-abrasion isotope-dilution thermal ionization mass spectrometry and solution ICP-MS trace element analysis (TIMS-TEA). The results record discrete tectonic events across the three domes at sub-million year timescales: (1) (re)crystallization of host gneiss within the lower crust exposed in the eastern Oiatabu Dome from c.5·7–4·5 Ma; (2) initial retrogression and local decompression melting of eclogites from the Oiatabu and Mailolo Domes at c.4·6–4·3 Ma; (3) melt crystallization of weakly deformed felsic dikes of the Oiatabu Dome at c.3·0–2·9 Ma; and (4) retrogression and melt crystallization within eclogite–amphibolite-facies rocks in the western Goodenough Dome at c.2·9–2·6 Ma. In comparison to Zr-in-rutile peak temperature estimates, Ti-in-zircon temperatures >800°C may reflect increased temperatures during exhumation that resulted in partial melting of the eclogites. Inclusions of crystallized hydrous melt consisting of Na-rich plagioclase ± K-feldspar + quartz within eclogite zircons document this process. The elevated temperatures and the presence of the polyphase inclusions are the first documentation of partial melting of the (U)HP eclogites within PNG during initial retrogression from c.4·6–4·3 Ma. Finally, overall, U–Pb zircon geochronology and geochemistry track both the timing of retrogressive overprinting within the lower-to-middle crust and final upper crustal emplacement over a relatively short span of ~2 Myr during the rapid (≥2·3 cm/yr) exhumation of the youngest known (U)HP eclogites.

58 GEOSCIENCES↗
DOE OSTI2011

Quantitative study of the enhancement of bulk nonlinearities in metamaterials

Artificially structured metamaterials offer a means to enhance the weak optical nonlinearities of natural materials. The enhancement results from the inhomogeneous nature of the metamaterial unit cell, over which the local field distribution can likewise be strongly inhomogeneous, with highly localized and concentrated field regions. We investigate the nonlinear enhancement effect in metamaterials through a numerical study of four nonlinear metamaterial designs comprising arrays of metallic structures embedded in nonlinear dielectrics and operating around 10 THz. Through full-wave simulations and by employing an extended version of the transfer-matrix-based nonlinear parameter retrieval method, we confirm and quantify the enhanced nonlinearities, showing bulk quadratic nonlinear properties that are up to two orders of magnitude larger, and cubic nonlinear properties that are up to four orders of magnitude larger than the bulk nonlinear dielectric alone. Furthermore, the proposed nonlinear metamaterials support a variety of configurable nonlinear properties and regimes, including electric, magnetic, broadband, and low loss, depending on the particular geometry chosen. Finally, we use the retrieved parameters in a coupled-mode theory to predict the optimal crystal lengths and conversion efficiencies of these structures, displaying the possibility of efficient and subwavelength nonlinear devices based on metamaterials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Electron Heating in 2D Particle-in-cell Simulations of Quasi-perpendicular Low-beta Shocks

Abstract We measure the thermal electron energization in 1D and 2D particle-in-cell simulations of quasi-perpendicular, low-beta ( β p = 0.25) collisionless ion–electron shocks with mass ratio m i / m e = 200, fast Mach number M ms = 1 –4, and upstream magnetic field angle θ Bn = 55°–85° from the shock normal n ˆ . It is known that shock electron heating is described by an ambipolar, B -parallel electric potential jump, Δ ϕ ∥ , that scales roughly linearly with the electron temperature jump. Our simulations have Δ ϕ ∥ / ( 0.5 m i u sh 2 ) ∼ 0.1 –0.2 in units of the pre-shock ions’ bulk kinetic energy, in agreement with prior measurements and simulations. Different ways to measure ϕ ∥ , including the use of de Hoffmann–Teller frame fields, agree to tens-of-percent accuracy. Neglecting off-diagonal electron pressure tensor terms can lead to a systematic underestimate of ϕ ∥ in our low- β p shocks. We further focus on two θ Bn = 65° shocks: a M s = 4 ( M A = 1.8 ) case with a long, 30 d i precursor of whistler waves along n ˆ , and a M s = 7 ( M A = 3.2 ) case with a shorter, 5 d i precursor of whistlers oblique to both n ˆ and B ; d i is the ion skin depth. Within the precursors, ϕ ∥ has a secular rise toward the shock along multiple whistler wavelengths and also has localized spikes within magnetic troughs. In a 1D simulation of the M s = 4 , θ Bn = 65° case, ϕ ∥ shows a weak dependence on the electron plasma-to-cyclotron frequency ratio ω pe /Ω ce , and ϕ ∥ decreases by a factor of 2 as m i / m e is raised to the true proton–electron value of 1836.

Tran, Aaron (ORCID:0000000334834890)↗
DOE OSTI2016

Structure and dynamics underlying elementary ligand binding events in human pacemaking channels

Although molecular recognition is crucial for cellular signaling, mechanistic studies have relied primarily on ensemble measures that average over and thereby obscure underlying steps. Single-molecule observations that resolve these steps are lacking due to diffraction-limited resolution of single fluorophores at relevant concentrations. Here, we combined zero-mode waveguides with fluorescence resonance energy transfer (FRET) to directly observe binding at individual cyclic nucleotide-binding domains (CNBDs) from human pacemaker ion channels critical for heart and brain function. Our observations resolve the dynamics of multiple distinct steps underlying cyclic nucleotide regulation: a slow initial binding step that must select a 'receptive' conformation followed by a ligand-induced isomerization of the CNBD. X-ray structure of the apo CNBD and atomistic simulations reveal that the isomerization involves both local and global transitions. Our approach reveals fundamental mechanisms underpinning ligand regulation of pacemaker channels, and is generally applicable to weak-binding interactions governing a broad spectrum of signaling processes.

Goldschen-Ohm, Marcel P.↗
NASA NTRS1973

Polar cap magnetic variations and their relationship with the interplanetary magnetic sector structure.

The relationship between polar geomagnetic variations and the polarity of the interplanetary magnetic sectors has been studied for the quiet year 1965. It is found that during the day hours a system of ionospheric currents encircles the magnetic poles on every day. The current system may extend up to 15 deg from the pole but is strongest at 8 to 10 deg invariant colatitude. The current direction as seen from near the magnetic poles is counterclockwise during interplanetary sectors with field pointing away from the sun and clockwise during toward sectors. The current strength is dependent on season, being strongest during local summer. When the magnetic pole is on the nightside of the earth, this polar cap current is absent or very weak.

Svalgaard, L.↗
NASA NTRS1975

Twinsat earth gravity field mapping

Results of a sensitivity study on the proposed Lo-Lo (Twinsat) satellite-to-satellite tracking mission are described. The relative range-rate signal due to a local gravitational anomaly is investigated as a function of height and satellite separation. It is shown that the signal strength is weak and that an optimal combination of signal strength and resolution is achieved when the satellites are separated by 3 deg along-track. The signal does not resolve point masses closer than 5 deg apart when the satellites are at 300 km altitude. The influence of other factors on the system is evaluated, including the low frequency gravitation field effect on the orbit and the dependence of the noise of the data type on (electronic) integration time.

Lowrey, B. E.↗
NASA NTRS1981

Plasma density features associated with strong convection in the winter high-latitude F region

A single plasma convection model was combined with an ionospheric-atmospheric composition model to study plasma density features associated with string convection in the winter high-latitude F region. Time dependent, three-dimensional, ion density distributions for NO(+), O2(+), N2(+), O(+) and He(+) were produced, and the ionosphere above 42 deg N magnetic latitude was covered for 24 hours. The study found that for strong and weak convection, electron density exhibited a variation with altitude, latitude, longitude and universal time. Ionospheric features were evident for strong convection, but modified in comparison with those found for slow convection. Also found for strong convection was a more pronounced tongue of ionization, the appearance of a new polar hole in the polar cap, and a midlatitude electron density trough that was not as deep as found for a weak convection. In addition, good agreement was found between predictions and Atmosphere Explorer measurements of ion composition variation with latitude and local time.

Sojka, J. J.↗
NASA NTRS1981

VLF-emissions associated with ring current electrons - Off-equatorial observations

Simultaneous observations of magnetospheric VLF emissions and the associated enhancement of ring current electrons up to 15 deg geomagnetic latitudes are made by the Explorer 45. Using a 4 deg inclination of orbit with a tilt angle of the earth's magnetic dipole axis of 11 deg, microdensitometer scanning of wideband data indicates that the band of missing emissions in the off-equatorial whistler mode emissions appears at f(H0)/2. Intensities above f(H0)/2 appear very weak in contrast to those of near-equatorial emissions where f(H0) is the equatorial electron gyrofrequency corresponding to the local gyrofrequency at the satellite. Whistler mode waves are reflected from high latitudes to the equator inside the source region, and the intensities of those waves are shown to be insufficient to explain the observed emissions below f(H0)/2 at the equator. Results indicate that the superposition of two types of emissions from the same processes at different locations is not the main mechanism for the formation of the two-band chorus, and the dominant sources of these choruses are located at the + or - 5 deg geomagnetic latitude.

Maeda, K.↗
NASA NTRS1990

Thermosphere-ionosphere coupling - An experiment in interactive modeling

Using the NCAR thermosphere general circulation model, a series of controlled experiments is performed to investigate the interactive coupling between ionospheric plasma densities and thermospheric neutral winds. The interaction is accomplished by parameterizing the F layer peak height, h(m)F2, in an empirical ionospheric model in terms of the meridional wind, v(south), and by forcing the h(m)F2 and the v(south) parameters to remain mutually coupled in a dynamical calculation. It was found that mutual coupling between forcing and meridional wind is weak during the daytime when the F layer exhibits a broad vertical structure. At night, when the F2 layer is more localized, the neutral dynamical structure is dependent on whether forcing is significantly above or below the altitude (about 275-300 km) at which ion drag effectively competes with viscosity in the neutral momentum balance.

Forbes, Jeffrey M.↗