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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

Single-Crystal Diffuse Neutron Scattering Study of the Dipole-Octupole Quantum Spin-Ice Candidate Ce 2⁢ Zr 2 ⁢O 7 : No Apparent Octupolar Correlations Above 𝑇 = 0.05 K

The insulating magnetic pyrochlore Ce 2 ⁢Zr 2 ⁢O 7 has gained attention as a quantum spin-ice candidate with dipole-octupole character that arises from the crystal-electric-field ground-state doublet for the Ce 3+ Kramers ion. This dipole-octupole character permits both spin-ice phases based on magnetic dipoles and those based on more-exotic octupoles. This work reports low-temperature neutron diffraction measurements on single-crystal Ce 2 ⁢Zr 2⁢ O 7 with 𝑄 coverage both at low 𝑄, where the magnetic form factor for dipoles is near maximal, and at high 𝑄, covering the region where the magnetic form factor for Ce 3+ octupoles is near maximal. This study was motivated by recent powder neutron diffraction studies of other Ce-based dipole-octupole pyrochlores, Ce 2 ⁢Sn 2 ⁢O 7 and Ce 2 ⁢Hf 2 ⁢O 7 , which each showed temperature-dependent diffuse diffraction at high 𝑄, interpreted as arising from octupolar correlations. Our measurements use an optimized single-crystal diffuse scattering instrument that allows us to screen against strong Bragg scattering from Ce 2 ⁢Zr 2 ⁢O 7 . The temperature-difference neutron diffraction reveals a low-𝑄 peak consistent with dipolar spin-ice correlations reported in previous work, and an alternation between positive and negative net intensity at higher 𝑄. These features are consistent with our numerical-linked-cluster calculations using pseudospin interaction parameters previously reported for Ce 2 ⁢Zr 2⁢ O 7 , Ce 2 ⁢Sn 2 ⁢O 7 , and Ce 2 ⁢Hf 2 ⁢O 7 . Importantly, neither the measured data nor any of the NLC calculations show evidence for increased scattering at high 𝑄 resulting from octupolar correlations. We conclude that at the lowest attainable temperature for our measurements (𝑇 = 0.05 K), scattering from octupolar correlations in Ce 2 ⁢Zr 2 ⁢O 7 is not present in the neutron diffraction signal on the level of our observation threshold of around 0.1% of the low-𝑄 dipole scattering. We compare these results to those obtained earlier on powder Ce 2 ⁢Sn 2 ⁢O 7 and Ce 2⁢ Hf 2⁢ O 7 , and to low-energy inelastic neutron scattering from single-crystal Ce 2 ⁢Zr 2 ⁢O 7 .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Localized High Concentration Electrolytes for High Voltage Lithium-Metal Batteries: Correlation between the Electrolyte Composition and Its Reductive/Oxidative Stability

We demonstrate a first-principles screening methodology as an effective tool to explore electrolyte formulations for the new generation of high energy density rechargeable batteries. We study the liquid structure and electronic properties in dilute electrolytes, high concentration electrolytes (HCE), and localized high concentration electrolytes (LHCE), with focus on electrolyte formulations based on lithium bis(fluorosulfonyl)imide (LiFSI), dimethyl carbonate (DMC), and bis(2,2,2-trifluoroethyl) ether (BTFE) as a diluent. We describe the solvation complexes in the dilute electrolyte and explore structural changes triggered by the increase in lithium salt concentration for HCEs and the diluent effects in LHCEs. In HCE formulations, there is a 4-fold coordination environment of lithium-ions as in the dilute electrolyte, but the number of lithium-ion interactions with O atoms from FSI- anions dominates. In these solutions, the ability of the FSI- anions to interact with multiple lithium-ions allows complex 3D network formation and influences the reductive/oxidative behavior of the electrolyte. Interestingly, in LHCEs, the BTFE diluent molecules do not change the 3D solution structure when diluting the HCE formulation from 5.49 to 3.83 M. However, there is a composition threshold where the structural and electronic behavior may change. We show that diluting the HCE electrolyte with BTFE down to 1.77 M breaks the three-dimensional solution structure into an island-like solvation complex. We relate these structural changes to the electronic properties of the electrolytes finding a causal relationship between the reductive/oxidative behavior and the lithium-oxygen interaction mechanisms in the solvated complexes. The coordination with lithium-ions lowers the electrolyte LUMO and HOMO levels: the higher is the number of interactions with lithium-ions, the more likely the solvent molecule, FSI- anion, or diluent molecule is to be reduced and the less likely it is to become oxidized. The evolution of the solvated ion structure in HCE and LHCE suggests a close connection to a corresponding change in the lithium-ion transport mechanisms for these electrolytes.

anions, molecules, oxygen, solvents, electrolytes↗
DOE OSTI2016

Generalized model screening potentials for Fermi-Dirac plasmas

In this paper, some properties of relativistically degenerate quantum plasmas, such as static ion screening, structure factor, and Thomson scattering cross-section, are studied in the framework of linearized quantum hydrodynamic theory with the newly proposed kinetic γ-correction to Bohm term in low frequency limit. It is found that the correction has a significant effect on the properties of quantum plasmas in all density regimes, ranging from solid-density up to that of white dwarf stars. It is also found that Shukla-Eliasson attractive force exists up to a few times the density of metals, and the ionic correlations are seemingly apparent in the radial distribution function signature. Simplified statically screened attractive and repulsive potentials are presented for zero-temperature Fermi-Dirac plasmas, valid for a wide range of quantum plasma number-density and atomic number values. Moreover, it is observed that crystallization of white dwarfs beyond a critical core number-density persists with this new kinetic correction, but it is shifted to a much higher number-density value of n{sub 0} ≃ 1.94 × 10{sup 37} cm{sup −3} (1.77 × 10{sup 10} gr cm{sup −3}), which is nearly four orders of magnitude less than the nuclear density. It is found that the maximal Thomson scattering with the γ-corrected structure factor is a remarkable property of white dwarf stars. However, with the new γ-correction, the maximal scattering shifts to the spectrum region between hard X-ray and low-energy gamma-rays. White dwarfs composed of higher atomic-number ions are observed to maximally Thomson-scatter at slightly higher wavelengths, i.e., they maximally scatter slightly low-energy photons in the presence of correction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1986

Numerical simulation of diffusion-controlled droplet growth Dynamical correlation effects

Diffusion-controlled coarsening (Ostwald ripening) of precipitated solutions is studied by numerical simulation. An algorithm is devised which exploits the screening of solute concentration fields, thereby removing the restriction to small systems of previous work. Simulation of the coarsening of 5000 droplets at 10-percent volume fraction reveals long-ranged dynamical correlations which broaden the droplet size-distribution function and increase the coarsening-rate coefficient.

Beenakker, C. W. J.↗
NASA NTRS2015

MISR Calibration Issues in High-Contrast Scenes, and Empirical Corrections

We diagnose the potential causes for the Multi-angle Imaging SpectroRadiometer's (MISR) persistent high aerosol optical depth (AOD) bias at low AOD with the aid of coincident MODerate-resolution Imaging Spectroradiometer (MODIS) imagery from NASA's Terra satellite. Internal reflections within the MISR instrument are responsible for a large portion of the high AOD bias in high-contrast scenes, which are especially common as broken-cloud situations over ocean. Discrepancies between MODIS and MISR nadir-viewing near-infrared (NIR) images are used to optimize nine parameters, along with a background reflectance modulation term (that was modeled separately), to represent the observed features. Independent, surface-based AOD measurements from the AErosol RObotic NETwork (AERONET) and the Marine Aerosol Network (MAN) are compared with MISR Research Algorithm (RA) AOD retrievals for 1118 coincidences to validate the corrections when applied to the nadir and off-nadir cameras. Additionally, the calibration coefficients for the red and NIR channels used for MISR over-water aerosol retrievals were reassessed with the RA to be consistent on a camera-by-camera basis. With these corrections, plus the baseline RA corrections applied (except enhanced cloud screening), the median AOD bias in the mid-visible (green) band decreases from 0.010 to 0.002, the RMSE decreases by approx. 10%, and the slope and correlation of the MISR vs. sun photometer Ångström Exponent improves. For AOD558 nm < 0.10 and with additional cloud screening, the median bias for the RA-retrieved AOD in the green band decreases from 0.011 to 0.003, compared to ~ 0.023 for the Standard Algorithm (SA). RMSE decreases by ~ 20% compared to the baseline (uncorrected) RA and by 17-53% compared to the SA. After all corrections and cloud screening are implemented, for AOD558 nm < 0.10, which includes about half the validation data, 68% absolute AOD errors for the RA have dropped to < 0.02 (approx. 0.018).

MISR↗
NASA NTRS1993

Leading-Edge Votex-System Details Obtained on F-106B Aircraft Using a Rotating Vapor Screen and Surface Techniques

A flight research program to study the flow structure and separated-flow origins over an F-106B aircraft wing is described. The flight parameters presented include Mach numbers from 0.26 to 0.81, angles of attack from 8.5 deg to 22.5 deg, Reynolds numbers from 22.6 x 10(exp 6) to 57.3 x 10(exp 6) and load factors from 0.9 to 3.9 times the acceleration due to gravity. Techniques for vapor screens, image enhancement, photogrammetry, and computer graphics are integrated to analyze vortex-flow systems. Emphasis is placed on the development and application of the techniques. The spatial location of vortex cores and their tracks over the wing are derived from the analysis. Multiple vortices are observed and are likely attributed to small surface distortions in the wing leading-edge region. A major thrust is to correlate locations of reattachment lines obtained from the off-surface (vapor-screen) observations with those obtained from on-surface oil-flow patterns and pressure-port data. Applying vapor-screen image data to approximate reattachment lines is experimental, but depending on the angle of attack, the agreement with oil-flow results is generally good. Although surface pressure-port data are limited, the vapor-screen data indicate reattachment point occurrences consistent with the available data.

Lamar, John E.↗
DOE OSTI2018

Coulomb Logarithm in Nonideal and Degenerate Plasmas

Various methods for determining the Coulomb logarithm in the kinetic theory of transport and various variants of the choice of the plasma screening constant, taking into account and disregarding the contribution of the ion component and the boundary value of the electron wavevector are considered. The correlation of ions is taken into account using the Ornstein–Zernike integral equation in the hypernetted-chain approximation. It is found that the effect of ion correlation in a nondegenerate plasma is weak, while in a degenerate plasma, this effect must be taken into account when screening is determined by the electron component alone. The calculated values of the electrical conductivity of a hydrogen plasma are compared with the values determined experimentally in the megabar pressure range. It is shown that the values of the Coulomb logarithm can indeed be smaller than unity. Special experiments are proposed for a more exact determination of the Coulomb logarithm in a magnetic field for extremely high pressures, for which electron scattering by ions prevails.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Curvature dependence of the effect of ionic functionalization on the attraction among nanoparticles in dispersion

Solubilization of nanoparticles facilitates nanomaterial processing and enables new applications. An effective method to improve dispersibility in water is provided by ionic functionalization. We explore how the necessary extent of functionalization depends on the particle geometry. Using molecular dynamics/umbrella sampling simulations, we determine the effect of the solute curvature on solvent-averaged interactions among ionizing graphitic nanoparticles in aqueous dispersion. We tune the hydrophilicity of molecular-brush coated fullerenes, carbon nanotubes, and graphane platelets by gradually replacing a fraction of the methyl end groups of the alkyl coating by the ionizing –COOK or –NH 3 Cl groups. To assess the change in nanoparticles’ dispersibility in water, we determine the potential-of-mean-force profiles at varied degrees of ionization. When the coating comprises only propyl groups, the attraction between the hydrophobic particles intensifies from spherical to cylindrical to planar geometry. This is explained by the increasing fraction of surface groups that can be brought into contact and the reduced access to water molecules, both following the above sequence. When ionic groups are added, however, the dispersibility increases in the opposite order, with the biggest effect in the planar geometry and the smallest in the spherical geometry. These results highlight the important role of geometry in nanoparticle solubilization by ionic functionalities, with about twice higher threshold surface charge necessary to stabilize a dispersion of spherical than planar particles. At 25%–50% ionization, the potential of mean force reaches a plateau because of the counterion condensation and saturated brush hydration. Moreover, the increase in the fraction of ionic groups can weaken the repulsion through counterion correlations between adjacent nanoparticles. High degrees of ionization and concomitant ionic screening gradually reduce the differences among surface interactions in distinct geometries until an essentially curvature-independent dispersion environment is created. Insights into tuning nanoparticle interactions can guide the synthesis of a broad class of nonpolar nanoparticles, where solubility is achieved by ionic functionalization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Revisiting the origin of satellites in core-level photoemission of transparent conducting oxides: The case of $\mathcal{n}$-doped SnO 2

In this work, the longstanding problem of interpretation of satellite structures in core-level photoemission spectra of metallic systems with a low density of conduction electrons is addressed using the specific example of Sb-doped SnO 2 . Comparison of ab initio many-body calculations with experimental hard x-ray photoemission spectra of the Sn 4d states shows that strong satellites are produced by coupling of the Sn core hole to the plasma oscillations of the free electrons introduced by doping. Within the same theoretical framework, spectral changes of the valence band spectra are also related to dynamical screening effects. These results demonstrate that, for the interpretation of electron correlation features in the core-level photoelectron spectra of such narrow-band materials, going beyond the homogeneous electron gas electron-plasmon coupling model is essential.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1973

Conduction in fully ionized liquid metals

Electron transport is considered in high density fully ionized liquid metals. Ionic structure is described in terms of hard-sphere correlation functions and the scattering is determined from self-consistently screened point ions. Applications to the physical properties of the deep interior of Jupiter are briefly considered.

Stevenson, D. J.↗
NASA NTRS1974

Structural lineaments in the southern Sierra Nevada, California

The author has identified the following significant results. Several lineaments observed in ERTS-1 MSS imagery over the southern Sierra Nevada of California have been studied in the field in an attempt to explain their geologic origins and significance. The lineaments are expressed topographically as alignments of linear valleys, elongate ridges, breaks in slope or combinations of these. Natural outcrop exposures along them are characteristically poor. Two lineaments were found to align with foliated metamorphic roof pendants and screens within granitic country rocks. Along other lineaments, the most consistant correlations were found to be alignments of diabase dikes of Cretaceous age, and younger cataclastic shear zones and minor faults. The location of several Pliocene and Pleistocene volcanic centers at or near lineament intersections suggests that the lineaments may represent zones of crustal weakness which have provided conduits for rising magma.

Liggett, M. A.↗
NASA NTRS1974

Conduction in fully ionized liquid metals

Electron transport is considered in high-density fully ionized liquid metals. Ionic structure is described in terms of hard-sphere-correlation functions and the scattering is determined from self-consistently screened point ions. Applications to the physical properties of the deep interior of Jupiter are briefly considered.

Stevenson, D. J.↗
NASA NTRS1983

An experimental study of three-dimensional shock wave/boundary layer interactions generated by sharp fins

The interaction between a turbulent boundary layer and a shock wave generated by a sharp fin with leading edge sweepback was investigated. The incoming flow was at Mach 2.96 and at a unit Reynolds number of 63 x 10 to the 6th power 0.1 m. The approximate incoming boundary layer thickness was either 4 mm or 17 mm. The fins used were at 5 deg, 9 deg and 15 deg incidence and had leading edge sweepback from 0 deg to 65 deg. The tests consisted of surface kerosene lampblack streak visualization, surface pressure measurements, shock wave shape determination by shadowgraphs, and localized vapor screen visualization. The upstream influence lengths of the fin interactions were correlated using viscous and inviscid flow parameters. The parameters affecting the surface features close to the fin and way from the fin were also identified. Essentially, the surface features in the farfield were found to be conical.

Lu, F. K.↗
NASA NTRS1994

Simplifying operations with an uplink/downlink integration toolkit

The Operations Engineering Lab (OEL) at JPL has developed a simple, generic toolkit to integrate the uplink/downlink processes, (often called closing the loop), in JPL's Multimission Ground Data System. This toolkit provides capabilities for integrating telemetry verification points with predicted spacecraft commands and ground events in the Mission Sequence Of Events (SOE) document. In the JPL ground data system, the uplink processing functions and the downlink processing functions are separate subsystems that are not well integrated because of the nature of planetary missions with large one-way light times for spacecraft-to-ground communication. Our new closed-loop monitoring tool allows an analyst or mission controller to view and save uplink commands and ground events with their corresponding downlinked telemetry values regardless of the delay in downlink telemetry and without requiring real-time intervention by the user. An SOE document is a time-ordered list of all the planned ground and spacecraft events, including all commands, sequence loads, ground events, significant mission activities, spacecraft status, and resource allocations. The SOE document is generated by expansion and integration of spacecraft sequence files, ground station allocations, navigation files, and other ground event files. This SOE generation process has been automated within the OEL and includes a graphical, object-oriented SOE editor and real-time viewing tool running under X/Motif. The SOE toolkit was used as the framework for the integrated implementation. The SOE is used by flight engineers to coordinate their operations tasks, serving as a predict data set in ground operations and mission control. The closed-loop SOE toolkit allows simple, automated integration of predicted uplink events with correlated telemetry points in a single SOE document for on-screen viewing and archiving. It automatically interfaces with existing real-time or non real-time sources of information, to display actual values from the telemetry data stream. This toolkit was designed to greatly simplify the user's ability to access and view telemetry data, and also provide a means to view this data in the context of the commands and ground events that are used to interpret it. A closed-loop system can prove especially useful in small missions with limited resources requiring automated monitoring tools. This paper will discuss the toolkit implementation, including design trade-offs and future plans for enhancing the automated capabilities.

Murphy, Susan C.↗
DOE OSTI2017

An Optical and Terahertz Instrumentation System at the FAST LINAC at Fermilab

FAST is a facility at Fermilab that consists of a photoinjector, two superconducting capture cavities, one superconducting ILC-style cryomodule, and a small ring for studying non-linear, integrable beam optics called IOTA. This paper discusses the layout for the optical transport system that provides optical radiation to an externally located streak camera for bunch length measurements, and THz radiation to a Martin-Puplett interferometer, also for bunch length measurements. It accepts radiation from two synchrotron radiation ports in a chicane bunch compressor and a diffraction/transition radiation screen downstream of the compressor. It also has the potential to access signal from a transition radiation screen or YAG screen after the spectrometer magnet for measurements of energy-time correlations. Initial results from both the streak camera and Martin-Puplett will be presented.

Thurman-Keup, R.↗
DOE OSTI2022

Observation of photo-induced plasmon–phonon coupling in PbTe via ultrafast x-ray scattering

We report the observation of photo-induced plasmon–phonon coupled modes in the group IV–VI semiconductor PbTe using ultrafast x-ray diffuse scattering at the Linac Coherent Light Source. We measure the near-zone-center excited-state dispersion of the heavily screened longitudinal optical (LO) phonon branch as extracted from differential changes in x-ray diffuse scattering intensity following above bandgap photoexcitation. We suggest that upon photoexcitation, the LO phonon-plasmon coupled (LOPC) modes themselves become coupled to longitudinal acoustic modes that drive electron band shifts via acoustic deformation potentials and possibly to low-energy single-particle excitations within the plasma and that these couplings give rise to displacement-correlations that oscillate in time with a period given effectively by the heavily screened LOPC frequency.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Glomerular filtration drug injury: In vitro evaluation of functional and morphological podocyte perturbations

Highlights: • The use of nephrotoxic drugs is often unavoidable. • Human podocyte cell line allows the study of the simplified glomerular filtration. • Filtration perturbations are correlated with morphological and phenotypic changes. • Functional and morphological tests are interesting tools for drug screening. The kidney is an organ that plays a major role in the excretion of numerous compounds such as drugs and chemicals. However, a great number of pharmacological molecules are nephrotoxic, affecting the efficiency of the treatment and increasing morbidity or mortality. Focusing on glomerular filtration, we propose in this study a simple and reproducible in vitro human model that is able to bring to light a functional podocyte injury, correlated with morphologic/phenotypic changes after drug exposure. This model was used for the evaluation of paracellular permeability of FITC-dextran molecules as well as FITC-BSA after different treatments. Puromycin aminonucleoside and adriamycin, compounds known to induce proteinuria in vivo and that serve here as positive nephrotoxic drug controls, were able to induce an important increase in fluorescent probe passage through the cell monolayer. Different molecules were then evaluated for their potential effect on podocyte filtration. Our results demonstrated that a drug effect could be time dependent, stable or scalable and relatively specific. Immunofluorescence studies indicated that these functional perturbations were due to cytoskeletal perturbations, monolayer disassembly or could be correlated with a decrease in nephrin expression and/or ZO-1 relocation. Taken together, our results demonstrated that this in vitro human model represents an interesting tool for the screening of the renal toxicity of drugs.

60 APPLIED LIFE SCIENCES↗