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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Complex Structural Disorder in a Polar Orthorhombic Perovskite Observed through the Maximum Entropy Method/Rietveld Technique

Ambient pressure stable perovskite oxides with all Bi3+ on the A-site are rare, with only four examples known. Due to the lone pair on Bi 3+ , these materials are seen as the best alternative to Pb-based piezoelectrics, which are used widely in society. The industry standard piezoelectric, Pb (Zr 1 – x Ti x )O 3 , relies on the [001] polarization of PbTiO 3 , but there are currently no ambient pressure stable Bi-based perovskites with this polarization vector, preventing the creation of an analogous system. We present the full structural analysis of the orthorhombic phase of (1 – x)Bi (Ti 3/8 Fe 2/8 Mg 3/8 )O 3 – x CaTiO 3 , which crystallizes in Pna2 1 symmetry with [001] polarization. This symmetry is rare and has only been reported twice for perovskites at ambient conditions. Analysis of maximum entropy method (MEM) models using synchrotron radiation powder X-ray diffraction reveals a disordered A-site configuration, and the MEM/Rietveld technique generates a structural model of this extreme disorder. Combined Rietveld analysis of X-ray and neutron diffraction data yields an accurate description of the local A-site configuration, which we use to understand our dielectric, ferroelectric, and piezoelectric measurements. These results give insight into how to stabilize this unique symmetry and inspire new design principles for Bi-based piezoelectrics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Defect-induced formation and frustration-driven multiple magnetic transitions in Gd 2 Co 0.90 Si 2.90

A new ternary compound, Gd 2 Co 0.90 Si 2.90 , has been synthesized in a chemically single phase by deliberately introducing lattice vacancies in the Co and Si sites. The system is characterized by DC magnetization, heat capacity, resistivity and density functional theory (DFT) calculations. Here, a detailed experimental study reveals that the system exhibits an antiferromagnetic transition below T N = 11.3 K followed by spin freezing behaviour below T B ~ 4.8 K. An additional high-temperature magnetic transition could also be detected at T H ~ 150 K, which is short range in character and is associated with defect-induced polarization of the conduction electrons. The spin-glass-like state formation in the system is additionally bolstered by the observation of magnetic relaxation and associated aging phenomena as well as the magnetic memory effect. On the basis of non-equilibrium dynamical behaviour, we argue that the glassy state in this compound favours the hierarchical model over the droplet model. DFT calculations and experimental outcomes establish that the ground state is magnetically frustrated due to the small energy difference between distinct spin configurations having closely spaced ground-state energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Electrical and Seismic Response of Saline Permafrost Soil during Freeze - Thaw Transition: Supporting Data

These data were collected during a repeat freeze-thaw cycle on a saline permafrost portion of a core to understand mechanical and geophysical property changes over time. The core used for the experiment was collected from the NGEE-Arctic Site 0 transect site located in the Barrow Environmental Observatory (BEO) in Barrow, Alaska. This region features polygonal ground, and the core was collected in the center of a flat centered polygon. The saline permafrost portion of the core was at the bottom 260-280 cm below ground surface. Data files (*.csv) include: Electrical signal change during freeze-thaw-refreeze cycle at 1 Hz; Spectral data - Complex resistivity data during Freeze-thaw of the saline permafrost core; Seismic data; and CT cross sections (*.jpg) of the core sample from approximately the same location: (A, D) before the test (thawed), (B, E) after the test (frozen), and (C, F) after deep freeze (frozen).The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1975

Analysis of proton and electron spectrometer data from OGO-5 spacecraft

The interaction between the geomagnetic and interplanetary magnetic fields is studied through its effects upon the intensities of solar electrons reaching the polar caps during times of strongly anisotropic electron fluxes in the magnetosheath. During the particle event of November 18, 1968, electrons of solar origin were observed outside the magnetopause with detectors aboard OGO-5. Correlative studies of these satellite observations and concurrent measurements by riometers and ionospheric forward scatter systems in both polar regions revealed that the initial stage of the associated polar cap absorption event is attributable to the arrival of solar electrons. Evidence of a north-south asymmetry in the solar electron flux, at a time when the interplanetary magnetic field vector was nearly parallel with the ecliptic plane, supports an open magnetospheric model. The analysis indicates that an anisotropic electron flux may be isotropized at the magnetopause before propagating into the polar regions.

Pomerantz, M. A.↗
NASA NTRS1994

Observations in the solar spectrum interest for remote sensing purposes

The polarization of the sunlight scattered by atmospheric aerosols or cloud droplets and reflected from ground surfaces or plant canopies may convey much information when used for remote sensing purposes. The typical polarization features of aerosols, cloud droplets, and plant canopies, as observed by ground based and airborne sensors, are investigated, looking especially for those invariant properties amenable to description by simple models when possible. The question of polarization measurements from space is addressed. The interest of such measurements for remote sensing purposes is investigated, and their feasibility is tested by using results obtained during field campaigns of the airborne POLDER instrument, a radiometer designed to measure the directionality and polarization of the sunlight scattered by the ground atmosphere system.

Herman, M.↗
NASA NTRS2015

Impact of Stratospheric Ozone Zonal Asymmetries on the Tropospheric Circulation

The depletion and recovery of Antarctic ozone plays a major role in changes of Southern Hemisphere (SH) tropospheric climate. Recent studies indicate that the lack of polar ozone asymmetries in chemistry climate models (CCM) leads to a weaker and warmer Antarctic vortex, and smaller trends in the tropospheric mid-latitude jet and the surface pressure. However, the tropospheric response to ozone asymmetries is not well understood. In this study we report on a series of integrations of the Goddard Earth Observing System Chemistry Climate Model (GEOS CCM) to further examine the effect of zonal asymmetries on the state of the stratosphere and troposphere. Integrations with the full, interactive stratospheric chemistry are compared against identical simulations using the same CCM except that (1) the monthly mean zonal mean stratospheric ozone from first simulation is prescribed and (2) ozone is relaxed to the monthly mean zonal mean ozone on a three day time scale. To analyze the tropospheric response to ozone asymmetries, we examine trends and quantify the differences in temperatures, zonal wind and surface pressure among the integrations.

Chemistry-Climate Modeling↗
DOE OSTI2022

Thermodynamic Model and Initial Experimental Investigation of Air Dehumidification through Electrically Charged Vapor Capturing Electrostatic Droplets

The removal of water vapor from the air to reduce relative humidity is a well known indoor environmental comfort requirement. Common dehumidification approaches require a substantial amount of energy and usually involve the cooling of atmospheric humid air below its dew point or the use of absorbent/adsorbent materials to extract water vapor out of the air. More recently, researchers investigated the effect of electrostatic forces for enhancing water vapor condensation with the goal to reduce the energy consumption associated with dehumidification. However, the studies are limited, and there is a lack of correlations that can predict the dehumidification rate. In this thesis, a broad theoretical investigation to study the electrostatically enhanced condensation processes was carried out. These processes consist of the use of highly charged particles, preferably highly charged water droplets to attract polar water vapor molecules to their surfaces and promote condensation, a phenomenon known as dielectrophoresis. The electrical charge promotes the reduction of the vapor pressure on the droplets' surface with respect to the saturated pressure predicted by the Kelvin equation on curved surfaces and, consequently, the equilibrium between evaporation and condensation is shifted towards condensation. This investigation resulted in the development of a thermodynamics model, which was able to predict an effective size range of the charged droplets for optimal dehumidification, under ideal conditions. The range resulted in about 2 to 4 m in diameter, while the electrical charge was kept to the maximum limit predicted by the Rayleigh model. A sensitivity analysis on the variation of the size and the charge of the charged droplets was also performed. In terms of dehumidification rates, when six electrospray heads, i.e. the maximum number of heads tested in the experimental campaign, were considered, the model predicted very limited rates, way lower than the target of this research, i.e. a dehumidification rate in terms of relative humidity of 5 % with an air flow rate of 5 cfm. While ways to increase this rate existed, their implementation proved difficult for this initial investigation. According to the requirements predicted by the model, the use of electrosprays appeared the most suitable solution for the production of small but highly charged droplets. The electrospray features and operational modes were studied in detail and an electrospray assembly was designed to be tested in this initial experimental investigation. For this initial investigation, an experimental system was designed and built to validate the thermodynamics model and with the goal to achieve a dehumidification rate of 5 % in terms of relative humidity with an air flow rate of 5 cfm. The experimental system consisted of a wind tunnel test apparatus, dew point sensors, thermocouples for temperature measurements, pressure sensors and other devices. The experimental system was equipped with a computerized data acquisition and storage system. The system was suitable to evaluate the air water content differential before and after the test section where the electrospray heads were installed. The air water content differential was evaluated in terms of the ∆ω/ω_1 ratio, to eliminate the dependence on the dry bulb temperature along the test apparatus. This work presented initial experimental data for electrostatically enhanced dehumidification processes. Working parameters, such as air and water flow rates, high voltage potentials and polarity, deionized water types with different electrical conductivity, were varied to find the best combination for an improved dehumidification. With the set up used and the conditions considered, it was never possible to achieve a 5 % dehumidification rate with 5 cfm. In general, the dehumidification rate was always limited and lower than 1 % for all the air flow rates considered and mainly within the uncertainty of the dew point sensors. These results confirmed the already limited predictions of the thermodynamics model, for ideal conditions and the interesting and promising results obtained in some experimental investigations available in the open literature were not achievable in this thesis. The more probable reasons were the higher air flow rates considered and the complete absence of the use of cooling power, which was mainly implemented to facilitate the vapor condensation.

Morcelli, Stefano↗
NASA NTRS2014

Angular and Polarization Response of Multimode Sensors with Resistive-Grid Absorbers

High sensitivity receiver systems with near ideal polarization sensitivity are highly desirable for development of millimeter and sub-millimeter radio astronomy. Multimoded bolometers provide a unique solution to achieve such sensitivity, for which hundreds of single-mode sensors would otherwise be required. The primary concern in employing such multimoded sensors for polarimetery is the control of the polarization systematics. In this paper, we examine the angular- and polarization- dependent absorption pattern of a thin resistive grid or membrane, which models an absorber used for a multimoded bolometer. The result shows that a freestanding thin resistive absorber with a surface resistivity of eta/2, where eta is the impedance of free space, attains a beam pattern with equal E- and H-plane responses, leading to zero cross polarization. For a resistive-grid absorber, the condition is met when a pair of grids is positioned orthogonal to each other and both have a resistivity of eta/2. When a reflective backshort termination is employed to improve absorption efficiency, the cross-polar level can be suppressed below −30 dB if acceptance angle of the sensor is limited to < or approx. 60deg. The small cross-polar systematics have even-parity patterns and do not contaminate the measurements of odd-parity polarization patterns, for which many of recent instruments for cosmic microwave background are designed. Underlying symmetry that suppresses these cross-polar systematics is discussed in detail. The estimates and formalism provided in this paper offer key tools in the design consideration of the instruments using the multimoded polarimeters.

High sensitivity receiver systems↗
DOE OSTI2024

Hemispherically symmetric strategies for stratospheric aerosol injection

Stratospheric aerosol injection (SAI) comes with a wide range of possible design choices, such as the location and timing of the injection. Different stratospheric aerosol injection strategies can yield different climate responses; therefore, understanding the range of possible climate outcomes is crucial to making informed future decisions on SAI, along with the consideration of other factors. Yet, to date, there has been no systematic exploration of a broad range of SAI strategies. This limits the ability to determine which effects are robust across different strategies and which depend on specific injection choices. This study systematically explores how the choice of SAI strategy affects climate responses in one climate model. Here, we introduce four hemispherically symmetric injection strategies, all of which are designed to maintain the same global mean surface temperature: an annual injection at the Equator (EQ), an annual injection of equal amounts of SO 2 at 15° N and 15° S (15N+15S), an annual injection of equal amounts of SO 2 at 30° N and 30° S (30N+30S), and a polar injection strategy that injects equal amounts of SO 2 at 60° N and 60° S only during spring in each hemisphere (60N+60S). We compare these four hemispherically symmetric SAI strategies with a more complex injection strategy that injects different quantities of SO 2 at 30° N, 15° N, 15° S, and 30° S in order to maintain not only the global mean surface temperature but also its large-scale horizontal gradients. All five strategies are simulated using version 2 of the Community Earth System Model with the middle atmosphere version of the Whole Atmosphere Community Climate model, version 6, as the atmospheric component, CESM2(WACCM6-MA), with the global warming scenario, Shared Socioeconomic Pathway (SSP)2-4.5. We find that the choice of SAI strategy affects the spatial distribution of aerosol optical depths, injection efficiency, and various surface climate responses. In addition, injecting in the subtropics produces more global cooling per unit injection, with the EQ and the 60N+60S cases requiring, respectively, 59 % and 50 % more injection than the 30N+30S case to meet the same global mean temperature target. Injecting at higher latitudes results in larger Equator-to-pole temperature gradients. While all five strategies restore Arctic September sea ice, the high-latitude injection strategy is more effective due to the SAI-induced cooling occurring preferentially at higher latitudes. These results suggest trade-offs wherein different strategies appear better or worse, depending on which metrics are deemed important.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Multiscale electro-chemo-mechanical model of high-capacity amorphous silicon anode material in sodium-ion batteries

The growing interest in sodium-ion batteries (SIBs) is fueled by their abundant resources and environmentally friendly nature, with amorphous silicon (a-Si) emerging as a promising anode material for enhancing capacity. However, the key challenge lies in sustaining reversible capacity during cycling. Here, in this work, we developed a multiscale electrochemical model incorporating an a-Si anode to elucidate the performance parameters of SIBs. Additionally, we integrated an electro-chemo-mechanical model at the particle level to capture stress generation, an essential factor in the degradation of high-capacity electrodes. Unlike existing models, our approach accounts for large-deformation chemo-mechanics at the particle scale and includes simulations under varying charge rates to explore multiscale behavior. The results reveal that coupled sodiation significantly prolongs complete cycling times and influences discharge dynamics, indicating that neglecting this coupling leads to an underestimation of actual capacity. Furthermore, we observed pronounced polarization effects at higher charge rates, resulting in heterogeneous stress distributions across the anode. With the identification of critical failure parameters for both active particles and binder materials, offering novel insights for mitigating degradation in high-capacity electrode systems.

Amorphous silicon anode↗
DOE OSTI2025

Optical Activity of Chiral Excitons

Recent activity in the area of chiroptical phenomena has been focused on the connection between structural asymmetry, electron spin configuration and light/matter interactions in chiral semiconductors. In these systems, spin‐splitting phenomena emerge due to inversion symmetry breaking and the presence of extended electronic states, yet the connection to chiroptical phenomena is lacking. Here, in this study, we develop an analytical effective mass model of chiral excitons, parameterized by density functional theory. The model accounts for parity mixing of the band edge Bloch functions resulting from polar distortions, resulting in allowed magnetic dipole transitions. Through the study of a prototypical chiral 2D hybrid perovskite semiconductor, we show that circular dichroism of the chiral exciton and its interband continuum emerges from spin‐splitting via cross‐coupling of Rashba‐like and chiral/helical spin‐texture components. To demonstrate the generality of our approach, and as a counterpoint, we apply our model to describe chiroptical properties of three‐dimensionally confined excitons in perovskite nanocrystals that occur without chiral lattice distortions.

14 SOLAR ENERGY↗
DOE OSTI2025

Large Propagation-Direction-Dependent Circularly Polarized Emission and Scattering Anisotropies of a Chiral Organic-Inorganic Semiconductor

Chiral materials are important tools for transducing circularly polarized light within many emerging opto-electronic and spin-based technologies. Here, we demonstrate that thin films of a bismuth iodide-based 0D chiral hybrid organic-inorganic semiconductor (HOIS) exhibit large anisotropy values in circularly polarized light emission (CPLE) that approach 50%, with mirror-image responses from front- and back-side measurements. A comprehensive analysis of light-wave propagation, absorption, emission, and scattering is constructed on the basis of a symmetry-derived exciton fine structure model, which accurately describes the direction and polarization dependence of the observed excitonic circular dichroism and CPLE, including contributions from both photoluminescence and resonant Raman scattering. Our analysis indicates that molecular chirality drives preferential film alignment with respect to the out-of-plane lattice vector direction, producing the observed anisotropies. This first demonstration in an HOIS system provides a unique route for enhancing polarization-dependent emission, and circularly polarized light transduction more broadly, in self-assembled HOIS.

14 SOLAR ENERGY↗
DOE OSTI2024

Quantum fluctuations lead to glassy electron dynamics in the good metal regime of electron doped KTaO 3

One of the central challenges in condensed matter physics is to comprehend systems that have strong disorder and strong interactions. In the strongly localized regime, their subtle competition leads to glassy electron dynamics which ceases to exist well before the insulator-to-metal transition is approached as a function of doping. Here, we report on the discovery of glassy electron dynamics deep inside the good metal regime of an electron-doped quantum paraelectric system: KTaO 3 . We reveal that upon excitation of electrons from defect states to the conduction band, the excess injected carriers in the conduction band relax in a stretched exponential manner with a large relaxation time, and the system evinces simple aging phenomena—a telltale sign of glassy dynamics. Most significantly, we observe a critical slowing down of carrier dynamics below 35 K, concomitant with the onset of quantum paraelectricity in the undoped KTaO 3 . Our combined investigation using second harmonic generation technique, density functional theory and phenomenological modeling demonstrates quantum fluctuation-stabilized soft polar modes as the impetus for the glassy behavior. This study addresses one of the most fundamental questions regarding the potential promotion of glassiness by quantum fluctuations and opens a route for exploring glassy dynamics of electrons in a well-delocalized regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1973

The relation between the polarity of the interplanetary magnetic field and the polar geomagnetic field

The relation between the azimuthal component of the interplanetary magnetic field and the polar cap geomagnetic field is discussed. The geomagnetic effects can be described as produced by an ionospheric current system encircling the magnetic pole. The sense of the current is clockwise during toward-sectors and reversed during away-sectors. The importance of this very direct solar-terrestrial relation is stressed. A recent magnetic sunspot cycle model is discussed as inferred from this relationship, the basic feature being that the sun reproduces the same sector pattern during every sunspot cycle.

Svalgaard, L.↗
NASA NTRS1979

Polarization from Thomson scattering of the light of a spherical, limb-darkened star

The polarized flux produced by the Thomson scattering of the light of a spherical, limb-darkened star by optically thin, extrastellar regions of electrons is calculated and contrasted to previous models which treated the star as a point source. The point-source approximation is found to be valid for scattering by particles more than a stellar radius from the surface of the star but is inappropriate for those lying closer. The specific effect of limb darkening on the fractional polarization of the total light of a system is explored. If the principal source of light is the unpolarized flux of the star, the polarization is nearly independent of limb darkening.

Rudy, R. J.↗
NASA NTRS1985

Ultraviolet, optical, and infrared observations of the intermediate polar TV Columbae

Forty-three IUE spectra of the X-ray discovered, triply periodic cataclysmic variable, TV Col are examined. The results show that the UV flux varies with the four-day period discovered by Motch in 1981. By fitting continuum models to the UV and optical fluxes, it is inferred that this modulation corresponds to the periodic heating of a normally 9000 K source within the binary system due to reprocessing of beamed X-ray and (possibly) EUV radiation from the vicinity of the degenerate star. The observed flux from this heated source is consistent with its origin at either the disk hot spot or the secondary star. Phasing arguments, however, favor the identification of the latter as the primary reprocessing site in the system. The infrared observations are not consistent with the model proposed by Watts et al. in 1982 and imply that the four-day period does not correspond to the orbital period of the binary.

Mateo, M.↗
NASA NTRS1985

IUE spectroscopy, visible-band photometry, and polarimetry of HD 47732 (V641 Monocerotis)

Several high- and low-dispersion IUE spectra are described for the hot, massive close binary HD 47732. The stellar silicon lines do not show theoretically expected strength, the weakness being attributed to incipicent emission. A weak stellar wind is measurable with an expansion velocity of about 500 km/s. There is difficulty in fitting a model atmosphere to all of the IUE continuum and visible band and IR measures. These difficulties are resolved by appealing to a 22,500 K model atmosphere and a distinctive interstellar extinction law. Numerous V band measures show the polarization to be variable, but not strongly in a phased-locked way. This suggests sporadic outbursts of gas feeding the shell. Several seasonal V band light curves are discussed, and the seasonal variations among them are attributed to variable developments of a systemic shell which scatters the photospheric light and dilutes to a variable degree the light variation due to ellipticity of figure of the component stars.

Koch, R. H.↗
NASA NTRS1986

Research in planetary astronomy and operation of the 2.2-meter telescope

The turn-around in the secular change in brightness of Pluto was detected, the planet is now beginning to brighten. The spectral signature was found of an ammonia bearing compound in the surface ices of Europa. Specific Io volcanic hotspots were detected from infrared photometry of the mutual events of the Jovian satellites. The polarized emission from the volcanic hotspots on Io was discovered and the locations of those hotspots were determined. The orbit of Charon was refined from speckle observations of the Pluto-Charon system. The spectral properties of liquid nitrogen-methane mixtures with reference to the infrared spectrum of Triton were studied. Major progress was made in modeling asteroid lightcurves from a modern theory of photometric properties of the asteroid surfaces. Several additional olivine-rich asteroids from near-infrared spectrophotometry were discovered. Important photometric, spectroscopic, narrow-band imaging data on Comet P/Halley was acquired, along with Schmidt photographs of Comet P/Halley and its tail.

Hall, D. N. B.↗