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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Nano-Plasticity of an Electrified Ionic Liquid/Electrode Interface: Uncovering Hard–Soft Structuring via Controlled Metal Fill Factor

Here, ionic liquids (ILs) nanostructuring at electrified interfaces is of both fundamental and practical interest as these materials are increasingly gaining prominence in energy storage and conversion processes. However, much remains unresolved about IL potential-controlled (re)organization under highly polarized interfaces, mostly due to the difficulty of selectively probing both the distal and proximal surface layers of adsorbed ions. In this work, the structural dynamics of the innermost layer (<10 nm from the surface) were independently interrogated from that of the ionic layers in the sub-surface region (>100 nm from the surface), using an infrared (IR) spectroscopy approach. By tuning the metal fill factor of gold films deposited on conductive metal oxide-modified IR internal reflection elements, the charge-driven (re)structuring of the inner and distal layers of 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate is unveiled. Within a relatively wide potential region (~±1 V) bounding the potential of zero charges, the ionic liquid is shown to undergo a reversible (i.e., soft) reorganization whereby the innermost layer of anions (cations) is exchanged by a layer of cations (anions). Kinetically unhindered changes in the number density of constituent cations and anions largely follow electrostatic expectations in the subsurface region, whereas the innermost layer exhibits a pronounced hysteresis and very slow relaxation. Under larger negative potential bias, IL restructuring is characterized by a highly irreversible (i.e., hard) and intense interfacial densification of the BMPy + cations, consistent with the formation of nanoscale segregated liquids. The outcomes of this work reveal a plastic IL nanostructuring under a strong electric field.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Structural, electronic, and magnetic properties of Ni nanoparticles supported on the TiC(001) surface

Metals supported on transition metal carbides are known to exhibit good catalytic activity and selectivity, which is interpreted in terms of electron polarization induced by the support. In the present work we go one step further and investigate the effect that a titanium carbide (TiC) support has on the structural, electronic, and magnetic properties of a series of Ni nanoparticles of increasing size exhibiting a two- or three-dimensional morphology. Furthermore, the obtained results show that three-dimensional nanoparticles are more stable and easier to form than their homologous two-dimensional counterparts. Also, comparison to previous results indicates that, when used as the support, transition metal carbides have a marked different chemical activity with respect to oxides. The analysis of the magnetic moments of the supported nanoparticles evidences a considerable quenching of the magnetic moment that affects mainly the Ni atoms in close contact with the TiC substrate indicating that these atoms are likely to be responsible for the catalytic activity reported for these systems. Overall, the analysis of the electronic structure reveals the existence of chemical interactions between the Ni nanoparticles and the TiC support, even if the net charge transfer between both systems is negligible.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Site-specific generation of excited state wavepackets with high-intensity attosecond x rays

High-intensity attosecond x rays can produce coherent superpositions of valence-excited states through two-photon Raman transitions. The broad-bandwidth, high-field nature of the pulses results in a multitude of accessible excited states. Multiconfigurational quantum chemistry with the time-dependent Schrödinger equation is used to examine population transfer dynamics in stimulated x-ray Raman scattering of the nitric oxide oxygen and nitrogen K-edges. Two pulse schemes initiate wavepackets of different characters and demonstrate how chemical differences between core-excitation pathways affect the dynamics. The population transfer to valence-excited states is found to be sensitive to the electronic structure and pulse conditions, highlighting complexities attributed to the Rabi frequency. The orthogonally polarized two- color-pulse setup has increased selectivity while facilitating longer, less intense pulses than the one-pulse setup. Population transfer in the 1s → Rydberg region is more effective but less selective at the nitrogen K-edge; the selectivity is reduced by double core-excited states. Result interpretation is aided by resonant inelastic x-ray scattering maps.

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

Optically Controlled Orbitronics on a Triangular Lattice

The propagation of electrons in an orbital multiplet dispersing on a lattice can support anomalous transport phenomena deriving from an orbitally induced Berry curvature. In striking contrast to the related situation in graphene, we find that anomalous transport for an L = 1 multiplet on the primitive 2D triangular lattice is activated by easily implemented on site and optically tunable potentials. Further, we demonstrate this for dynamics in a Bloch band where point degeneracies carrying opposite winding numbers are generically offset in energy, allowing both an anomalous charge Hall conductance with the sign selected by off-resonance coupling to circularly polarized light and a related anomalous orbital Hall conductance activated by layer buckling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

Flight test techniques for validating simulated nuclear electromagnetic pulse aircraft responses

An attempt has been made to determine the effects of nuclear EM pulses (NEMPs) on aircraft systems, using a highly instrumented NASA F-106B to document the simulated NEMP environment at the Kirtland Air Force Base's Vertically Polarized Dipole test facility. Several test positions were selected so that aircraft orientation relative to the test facility would be the same in flight as when on the stationary dielectric stand, in order to validate the dielectric stand's use in flight configuration simulations. Attention is given to the flight test portions of the documentation program.

Winebarger, R. M.↗
NASA NTRS1990

X-ray spectra of compact extragalactic radio sources

A comparison is conducted of the 0.1-3.5 keV mean power law energy spectral indices (alpha) measured by the Einstein Observatory IPC for (1) 19 low polarization, flat radio spectrum (FRS) core-dominant QSOs; (2) 12 highly polarized QSOs (HPQs); and (3) 24 radio-selected BL Lac objects. Individual spectral fits are presented for several sources for which results are unavailable elsewhere. A maximum-likelihood analysis was used to ascertain the mean power-law index and the standard deviation for each class, under the assumption of a Gaussian intrinsic distribution. The distributions for HPQ and FRS QSOs are similar, in contrast with a small sample of the X-ray-selected BL Lac objects. Implications of these findings for synchrotron self-Compton models are considered.

Worrall, D. M.↗
NASA NTRS1992

The spin vector of Venus determined from Magellan data

A control network of the north polar region of Venus has been established by selecting and measuring control points on full-resolution radar strips. The measurements were incorporated into a least-squares adjustment program that improved initial estimates of the coordinates of the control points, pole direction, and rotation rate of Venus. The current dataset contains 4206 measurements of 606 points on 619 radar strips. The accuracy of the determination is driven by spacecraft ephemeris errors. An accurate estimate of the rotation period of Venus was obtained by applying an ephemeris improvement technique. The second cycle closure orbits improved ephemeris solutions for 40 orbits (376-384, 520-528, 588-592, 658-668, 1002-1010, 1408-1412, 1746-1764, and 2166-2170) are included and fixed in the geodetic control computations, thus trying the network to the J2000 coordinate system.

Davies, M. E.↗
NASA NTRS2017

Uncertainty Assessment of Space-Borne Passive Soil Moisture Retrievals

The uncertainty associated with passive soil moisture retrieval is hard to quantify, and known to be underlain by various, diverse, and complex causes. Factors affecting space-borne retrieved soil moisture estimation include: (i) the optimization or inversion method applied to the radiative transfer model (RTM), such as e.g. the Single Channel Algorithm (SCA), or the Land Parameter Retrieval Model (LPRM), (ii) the selection of the observed brightness temperatures (Tbs), e.g. polarization and incidence angle, (iii) the definition of the cost function and the impact of prior information in it, and (iv) the RTM parameterization (e.g. parameterizations officially used by the SMOS L2 and SMAP L2 retrieval products, ECMWF-based SMOS assimilation product, SMAP L4 assimilation product, and perturbations from those configurations). This study aims at disentangling the relative importance of the above-mentioned sources of uncertainty, by carrying out soil moisture retrieval experiments, using SMOS Tb observations in different settings, of which some are mentioned above. The ensemble uncertainties are evaluated at 11 reference CalVal sites, over a time period of more than 5 years. These experimental retrievals were inter-compared, and further confronted with in situ soil moisture measurements and operational SMOS L2 retrievals, using commonly used skill metrics to quantify the temporal uncertainty in the retrievals.

Quets, Jan↗
NASA NTRS1990

Platform Evolution Studies

Platform evolution studies have focused on developing two types of platforms: the Geostationary Platform, for use as an observatory in NASA's Mission-to-Planet-Earth (MPE) initiative, and a co-orbiting platform, for use as a branching mechanism for the Space Station Freedom manned base. In 1989, platform evolution efforts also documented existing polar platform scares for servicing and for co-orbiting platform configurations. Shown on this viewgraph are various configurations. An Astrophysics Co-Orbiting Platform was studied during Phase B of the Space Station Program. The Stationkeeping Platform was the subject of a Goddard study. Today we will briefly describe the NASA Polar Platform and discuss the evolutionary configurations for geostationary and co-orbiting platforms. General Electric Astro-Space Division was selected to perform these studies because of its role as designer of the Polar Platform.

Walton, Barbara↗
NASA NTRS1995

Spectral analyses, climatology, and interannual variability of Nimbus-7 TOMS version 6 total column ozone

This reference publication presents selected results from space-time spectral analyses of 13 years of version 6 daily global ozone fields from the Total Ozone Mapping Spectrometer (TOMS). One purpose is to illustrate more quantitatively the well-known richness of structure and variation in total ozone. A second purpose is to provide, for use by modelers and for comparison with other analysts' work, quantitative measures of zonal waves 1, 2, 3, and medium-scale waves 4-7 in total ozone. Their variations throughout the year and at a variety of latitudes are presented, from equatorial to polar regions. The 13-year averages are given, along with selected individual years which illustrate year-to-year variability. The largest long wave amplitudes occur in the polar winters and early springs of each hemisphere, and are related to strong wave amplification during major warning events. In low attitudes total ozone wave amplitudes are an order of magnitude smaller than at high latitudes. However, TOMS fields contain a number of equatorial dynamical features, including Rossby-gravity and Kelvin waves.

Stanford, J. L.↗
NASA NTRS1990

Identification of lunar rock types and search for polar ice by gamma ray spectroscopy

This paper examines the possibility of mapping the surface composition of the moon from an orbiting spin-stabilized spacecraft, using gamma ray spectroscopy and a cooled germanium solid-state device as a detector. A design for accommodating the germanium detector gamma ray spectrometer was devised, and the detection sensitivity was applied to typical lunar-rock compositions. For sets comprising nine highland and 16 mare types, the most useful elements were found to be Mg, Al, K, Ti, Fe, U, and Th. An analysis of the expected instrument response to the gamma ray and neutron fluxes of water ice indicated that a neutron mode added to the spectrometer will be more sensitive than the gamma ray mode to the possible presence of polar ice. It was calculated that, with a pair of selected neutron absorbers and a model which provides that 2.5 percent of the area above 75-deg latitude is occupied by trapping sites, the instrument will provide a 1-yr mission detection limit of 0.056 percent H2O by weight for each polar region.

Metzger, Albert E.↗
DOE OSTI2022

Specific resonance mode enhancement and suppression using non-uniform polarization of piezoelectric wafers: Theory and experiments

In this work, we present experimental demonstration of specific resonance mode enhancement and suppression in circular and rectangular piezoelectric wafers with engineered non-uniform polarization profiles. The polarization profiles are designed based on the electromechanical impedance response of non-uniformly polarized wafers as obtained from the theory. The circular wafers are fabricated with non-uniform polarization profiles that involve a central polarized region surrounded by an unpolarized region. The radius of the polarization zone is designed based on the condition for specific mode enhancement obtained from the electromechanical impedance response of non-uniformly polarized wafers. We actually show how the condition can not only be used to enhance but also to suppress electromechanical resonances. Two kinds of wafers are designed and fabricated to specifically suppress second and third radial modes respectively. Similarly, rectangular wafers are designed with two different kinds of non-uniform polarization profiles — the first of which enhances the second in-plane extensional mode in the impedance spectrum and the second polarization profile suppresses all the electromechanical resonances pertaining to the in-plane extensional modes and selectively excites only the in-plane bending modes. The proposed approach of using non-uniformly polarized wafers finds application in designing multi-frequency sensors/transducers, frequency-tuned receivers, acoustic beamforming, and other non-traditional applications such as information storage.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Consistent inclusion of triple substitutions within a coupled cluster based static quantum embedding theory

We have previously proposed the MPCC static embedding framework for quantum chemistry that self-consistently couples a high-level coupled cluster (CC) treatment of the fragment (active region) with a lower level, Møller–Plesset perturbation treatment of the environment. Our initial implementation was limited to single and double (SD) substitutions, with CCSD for the fragment and first-order perturbative SD amplitudes for the environment. Here, we extend the MPCC embedding treatment to triple substitutions, which is essential for achieving chemical accuracy in energy differences. To this end, we employ a CCSDT solver for the fragment subsystem. For the environment subsystem, we construct a perturbative estimate of the triples amplitudes, explicitly accounting for feedback from all fragment amplitudes. The resulting approach is denoted MPCCSDT(pt). We further introduce a more complete formulation in which feedback from the environment amplitudes to the fragment amplitudes is also included. This scheme involves an iterative treatment of the environment triples amplitudes and is denoted MPCCSDT(it). In addition, we assess the accuracy of the previously proposed low-level method by introducing a modified low-level approach that incorporates a lowest-order treatment of selected long-range effects, including spin fluctuations and charge polarization. All resulting approaches may be viewed as post-CCSD(T) methods. We therefore consider test cases for which CCSD(T) exhibits substantial deviations from CCSDT. These include (i) single- and triple-bond stretching in F 2 and N 2 , (ii) bond dissociation energies of selected molecules from the W4-11 dataset, and (iii) total atomization energies of transition metal hydrides. Our results demonstrate that inclusion of triples amplitudes at the fragment level alone is insufficient; a perturbative treatment of the environment triples amplitudes is required. For many energy-difference applications, feedback from the environment triples amplitudes to the fragment amplitudes is not essential, but it does play a role in the very challenging CoH and FeH molecules. A very interesting finding from our study is that in some challenging cases, we need an improved (second-order) perturbative method for the SD amplitudes, going beyond the first-order one used in our earlier work. In conclusion, considering both cost and accuracy, the MP2CCSDT(pt) model is the most promising for future applications among the candidates considered here.

Shee, Avijit [University of California, Berkeley, ↗
DOE OSTI2024

Ion pair extractant selective for LiCl and LiBr

Improved methods for achieving the selective extraction of lithium salts from lithium sources, including rocky ores, salt-lake brines, and end-of-life lithium-ion batteries, could help address projected increases in the demand for lithium. Here, we report an ion pair receptor (2) capable of extracting LiCl and LiBr into an organic receiving phase both from the solid state and from aqueous solutions. Ion pair receptor 2 consists of a calix[4]pyrrole framework, which acts as an anion binding site, linked to a phenanthroline cation binding motif via ether linkages. Receptor 2 binds MgBr 2 and CaCl 2 with high selectivity over the corresponding lithium salts in a nonpolar aprotic solvent. The preference for Mg 2+ and Ca 2+ salts is reversed in polar protic media, allowing receptor 2 to complex LiCl and LiBr with high selectivity and affinity in organic media containing methanol or water. The effectiveness of receptor 2 as an extractant for LiCl and LiBr under liquid–liquid extraction (LLE) conditions was found to be enhanced by the presence of other potentially competitive salts in the aqueous source phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Transient Terahertz Oscillations During Photoinduced Polarization Topology Reconfiguration in Ferroelectric Superlattices

Terahertz resonances embedded in crystalline heterostructures could close a spectral gap between conventional electronics and photonics while opening new windows on non-equilibrium lattice dynamics. We show that femtosecond optical screening of the depolarization field in epitaxial PbTiO3/SrTiO3 superlattices launches a collective polar mode that oscillates near 1 THz and coherently spans the entire mini-Brillouin zone. Wave-vector-resolved pump–probe X-ray diffraction resolves a nearly dispersion-less oscillation at 0.87 THz and 0.94 THz at the zone boundary and zone center, respectively, persisting for ~2.5 ps, corresponding to a weakly damped resonance. Dynamical phase-field simulations reveal the origin of the mode to mesoscopic rotation of closure-domain textures during the photo-excited transition from an unscreened to a screened electrostatic state. Varying the PbTiO3 and SrTiO3 ratio tunes the mode frequency continuously from 0.9 to 1.4 THz, providing a quantitative design rule for frequency-selectable THz oscillators in ferroelectric heterostructures. By coupling nanoscale polarization reconfiguration to long-wavelength coherent dynamics, this work establishes depolarization-field engineering to topology-driven THz functionality and expanding the landscape of collective lattice dynamics.

Sri Gyan, Deepankar [Univ. of Wisconsin, Madison, ↗
DOE OSTI2023

Intrinsic alignment as an RSD contaminant in the DESI survey

ABSTRACT We measure the tidal alignment of the major axes of luminous red galaxies (LRGs) from the Legacy Imaging Survey and use it to infer the artificial redshift-space distortion signature that will arise from an orientation-dependent, surface-brightness selection in the Dark Energy Spectroscopic Instrument (DESI) survey. Using photometric redshifts to downweight the shape–density correlations due to weak lensing, we measure the intrinsic tidal alignment of LRGs. Separately, we estimate the net polarization of LRG orientations from DESI’s fibre-magnitude target selection to be of order 10−2 along the line of sight. Using these measurements and a linear tidal model, we forecast a 0.5 per cent fractional decrease on the quadrupole of the two-point correlation function for projected separations of 40–80 h−1 Mpc. We also use a halo catalogue from the Abacussummit cosmological simulation suite to reproduce this false quadrupole.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Solubility Behavior of CO 2 in Ionic Liquids Based on Ionic Polarity Index Analyses

Ionic liquids (ILs) can serve as effective CO 2 solvents with an appropriate selection of different anions and cations. However, due to the large library of potential IL compositions, rapid screening methods are needed for characterizing and ranking the expected properties. We have recently proposed the ionic polarity index (IPI) parameter, effectively connecting volume-based approaches and electrostatic potential analyses, providing a single metric that can potentially be used to rapidly screen for desirable IL properties. In this work, the corresponding anion and cation IPIs are used to generate correlations with respect to the CO 2 volumetric solubility in ILs. The relationships are generally applicable to groups of ILs within a homologous ion series, and this can be particularly valuable for pre-screening different ion pairings for maximizing gas solvation performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

Angular distributions and polarization fractions of helium resonance radiation (n 1P - 1 1S) in the extreme ultraviolet

Angular intensity distributions of helium (n 1P - 1 1S) resonance photons with respect to the exciting electron beam are presented. The angular intensity distributions were measured at selected electron impact energies from 25 eV (near threshold) to 150 eV. Polarization fractions (Pi) were obtained by analyzing the data in terms of the theoretical relation between angular intensity distribution and Pi, i.e. Iota (theta) = Iota (90) (1 - Pi sq cos theta). The experimental values for Pi are compared with recent theoretical results and with previous experimental values for the (3 1P - 2 1S) transition.

Mumma, M. J.↗