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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 OSTI2025

Spectroscopic evidence of intra-unit-cell charge redistribution in a charge-neutral magnetic topological insulator

The magnetic topological insulator MnBi 6 Te 10 has emerged as a promising candidate for realizing the quantum anomalous Hall effect (QAHE), owing to its ability to retain ferromagnetism through precise control of anti-site defects. The next important task for realizing the QAHE is to tune the chemical potential into the energy gap formed by the broken time-reversal symmetry. Here we reveal an intra-unit-cell charge redistribution even when the overall doping suggests a near-charge-neutral condition. By performing time- and angle-resolved photoemission spectroscopy (trARPES) on the optimally 18% Sb-doped MnBi 6 Te 10 , we observe transient surface photovoltage (SPV) effects on both the MnBi 2 Te 4 and single-Bi 2 Te 3 terminations. Furthermore, we observe a time-dependent splitting of the band structure indicating multiple SPV shifts with different magnitudes. This observation suggests that adjacent plateaus with nominally the same terminating layer exhibit a strong intra-unit-cell charge redistribution, resulting in spontaneous electrical polarization. This is consistent with static micro-ARPES measurements revealing significant doping deviations from the charge-neutral configuration. Our findings underscore the challenges of engineering the family of Mn-Bi-Te materials to realize QAHE purely through chemical doping. Achieving the desired topological quantum phase requires both a uniform carrier doping and a ferromagnetic ground state. Furthermore, the light-induced polarization within each unit cell of ferromagnetic Mn(Bi 0.82 Sb 0.18 ) 6 Te 10 may open new possibilities for optoelectronic and spintronics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Beyond the Condon limit: Condensed phase optical spectra from atomistic simulations

While dark transitions made bright by molecular motions determine the optoelectronic properties of many materials, simulating such non-Condon effects in condensed phase spectroscopy remains a fundamental challenge. We derive a Gaussian theory to predict and analyze condensed phase optical spectra beyond the Condon limit. Our theory introduces novel quantities that encode how nuclear motions modulate the energy gap and transition dipole of electronic transitions in the form of spectral densities. By formulating the theory through a statistical framework of thermal averages and fluctuations, we circumvent the limitations of widely used microscopically harmonic theories, allowing us to tackle systems with generally anharmonic atomistic interactions and non-Condon fluctuations of arbitrary strength. We show how to calculate these spectral densities using first-principles simulations, capturing realistic molecular interactions and incorporating finite-temperature, disorder, and dynamical effects. Our theory accurately predicts the spectra of systems known to exhibit strong non-Condon effects (phenolate in various solvents) and reveals distinct mechanisms for electronic peak splitting: timescale separation of modes that tune non-Condon effects and spectral interference from correlated energy gap and transition dipole fluctuations. We further introduce analysis tools to identify how intramolecular vibrations, solute–solvent interactions, and environmental polarization effects impact dark transitions. Moreover, we prove an upper bound on the strength of cross correlated energy gap and transition dipole fluctuations, thereby elucidating a simple condition that a system must follow for our theory to accurately predict its spectrum.

Chemistry↗
DOE OSTI2022

Phonon modes and Raman signatures of MnBi 2n Te 3n+1 (n=1,2,3,4) magnetic topological heterostructures

An intrinsic antiferromagnetic topological insulator MnBi 2 Te 4 arises when intercalating a Mn-Te bilayer chain in a topological insulator, Bi 2 Te 3 . We present observations on the inter- and intralayer phonon modes of the generalized MnBi 2n Te 3n+1 (n=1,2,3,4) family using cryogenic low-frequency Raman spectroscopy with various polarization configurations. Two peaks at 66 and 112 cm –1 show abnormal perturbation in Raman linewidths below magnetic transition temperature due to spin-phonon coupling. In MnBi 4 Te 7 , B i2 Te 3 layers induce Davydov splitting of the A1g mode around 137 cm –1 at 5 K. The out-of-plane interlayer force constant estimated using the linear chain model was (3.98±0.14)×10 19 N/m 3 , three times weaker than that of Bi 2 Te 3 . Adding more Bi 2 Te 3 layers, such as MnBi 6 Te 10 and MnBi 8 Te 13 , makes Bi 2 Te 3 properties more dominant than magnetic properties. Our work experimentally and theoretically discovers the dynamics of phonon modes of MnBi 2n Te 3n+ 1 family, facilitating utilization of magnetic topological heterostructures.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Spin-orbit–coupled exciton-polariton condensates in lead halide perovskites

Spin-orbit coupling (SOC) is responsible for a range of spintronic and topological processes in condensed matter. Here, we show photonic analogs of SOCs in exciton-polaritons and their condensates in microcavities composed of birefringent lead halide perovskite single crystals. The presence of crystalline anisotropy coupled with splitting in the optical cavity of the transverse electric and transverse magnetic modes gives rise to a non-Abelian gauge field, which can be described by the Rashba-Dresselhaus Hamiltonian near the degenerate points of the two polarization modes. With increasing density, the exciton-polaritons with pseudospin textures undergo phase transitions to competing condensates with orthogonal polarizations. Unlike their pure photonic counterparts, these exciton-polaritons and condensates inherit nonlinearity from their excitonic components and may serve as quantum simulators of many-body SOC processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Coherent Mode Decomposition for Kolmogorov Optical Turbulence in a Finite Aperture

An analysis of the coherent mode decomposition of an optical field after propagation through atmospheric turbulence is presented. The coherent modes represent an ideal basis by which to decompose the field for design of mode-limited optical systems. Using the rotational symmetry of the Fredholm integral operator for Kolmogorov optical turbulence, it is shown that the coherent modes exhibit separable solutions classified by radial and azimuthal quantum numbers. The study of the coherent modes is then reduced that of the radial functions determined by the aperture-coherence diameter ratio and obscuration ratio. Analysis of the spectrum of eigenvalues yields sharp bounds on the efficiency of receivers using incoherent or coherent combining with mode-limited photonic devices in the presence of Kolmogorov turbulence. The effective number of modes needed to represent Kolmogorov optical turbulence is studied via the von Neumann entropy, purity, and largest eigenvalue, and the differences in the different definitions is discussed. The similarity of the coherent modes to linearly polarized (LP) fiber modes is quantified yielding a precise characterization of the maximum gain that can be achieved in mode-limited systems via mode shaping techniques. As a final application, a mode sorting technique is presented for optimally splitting power from atmospherically degraded light into a finite number of modes simultaneously maximizing total coupling efficiency and minimizing the average and instantaneous power ratio between channels.

free-space optical communication↗
NASA NTRSDate not supplied

Coherent Mode Decomposition for Kolmogorov Optical Turbulence in a Finite Aperture

An analysis of the coherent mode decomposition of an optical field after propagation through atmospheric turbulence is presented. The coherent modes represent an ideal basis by which to decompose the field for design of mode-limited optical systems. Due to rotational symmetry of the Fredholm integral operator for Kolmogorov optical turbulence, the coherent modes exhibit separable solutions classified by a radial and azimuthal mode index. The study of the coherent modes is then reduced to that of the radial functions determined by the coherence ratio and obscuration ratio. Analysis of the spectrum of eigenvalues yields sharp bounds on the efficiency of receivers using incoherent or coherent combining with mode-limited photonic devices in the presence of Kolmogorov turbulence. The effective number of modes needed to represent Kolmogorov optical turbulence is studied via the von Neumann entropy, purity, and largest eigenvalue, and the differences in the different definitions is discussed. The similarity of the coherent modes to linearly polarized (LP) fiber modes is quantified yielding a precise characterization of the maximum gain that can be achieved in mode-limited systems via mode shaping techniques. As a final application, a mode sorting technique is presented for optimally splitting power from atmospherically degraded light into a finite number of modes simultaneously maximizing total coupling efficiency and minimizing the difference in average power between channels.

free-space optical communication↗
NASA NTRS1987

Navier-Stokes analysis of two- and three-dimensional flow field in solid rocket motors with segment joints

A multidimensional implicit Navier-Stokes analysis which uses numerical solution of ensemble-averaged Navier-Stokes equations in a nonorthogonal bodyfitted cylindrical-polar coordinate system has been applied to simulation of the internal flow field in solid-propellant rocket motor chambers with segment joints. The calculation procedure incorporates a two-equation (k-epsilon) turbulence model and utilizes a consistently split, linearized block-implicit algorithm for numerical solution of the governing equations. Computations performed to simulate the axisymmetric flow field in the vicinity of the aft field joint in the Space Shuttle SRB using 14,725 grid points show the presence of a region of reversed axial flow near the downstream edge of the slot. Calculations were also performed for two cases involving asymmetric three-dimensional flow in the vicinity of the aft field joint in the SRB using 721,525 grid points to estimate circumferential velocities and pressure gradients at the joint.

Sabnis, J. S.↗
NASA NTRS2005

Lunar and Planetary Science XXXVI, Part 6

Contents include the following: A Model for Multiple Populations of Presolar Diamonds. Characterization of Martian North Polar Geologic Units Using Mars Odyssey THEMIS Data. Effect of Flow on the Internal Structure of the Martian North Polar Layered Deposits. Elemental Abundance Distributions in Basalt Clays and Meteorites: Is It a Biosignature? Early Results on the Saturn System from the Composite Infrared Spectrometer. NanoSIMS D/H Imaging of Isotopically Primitive Interplanetary Dust Particles. Presolar (Circumstellar and Interstellar) Phases in Renazzo: The Effects of Parent Body Processing. Catastrophic Disruption of Hydrated Targets: Implications for the Hydrated Asteroids and for the Production of Interplanetary Dust Particles. Chemical and Mineralogical Analyses of Particles from the Stratospheric Collections Coinciding with the 2002 Leonid Storm and the 2003 Comet Grigg-Skjellerup Trail Passage. An Analysis of the Solvus in the CaS-MnS System. ESA s SMART-1 Mission at the Moon: First Results, Status and Next Steps. Europa Analog Ice-splitting Measurements and Experiments with Ice-Hunveyor on the Frozen Balaton-Lake, Hungary. Chromium on Eros: Further Evidence of Ordinary Chondrite Composition. Dust Devil Tracks on Mars: Observation and Analysis from Orbit and the Surface. Spatial Variation of Methane and Other Trace Gases Detected on Mars: Interpretation with a General Circulation Model. Mars Water Ice and Carbon Dioxide Seasonal Polar Caps: GCM Modeling and Comparison with Mars Express Omega Observations. Component Separation of OMEGA Spectra with ICA. Clathrate Formation in the Near-Surface Environment of Titan. Space Weathering: A Proposed Laboratory Approach to Explaining the Sulfur Depletion on Eros. Sample Collection from Small Airless Bodies: Examination of Temperature Constraints for the TGIP. Sample Collector for the Hera Near-Earth Asteroid Sample Return Mission. A Rugged Miniature Mass-Spectrometer for Measuring Aqueous Geochemistry on Mars. Martian and Lunar Pyroxene Microstructures Studied by Single-Crystal X-Ray Diffraction.

Source record↗
DOE OSTI2022

Magnetic Control of Soft Chiral Phonons in PbTe

We report PbTe crystals have a soft transverse optical phonon mode in the terahertz frequency range, which is known to efficiently decay into heat-carrying acoustic phonons, resulting in anomalously low thermal conductivity. Here, we studied this phonon via polarization-dependent terahertz spectroscopy. We observed softening of this mode with decreasing temperature, indicative of incipient ferroelectricity, which we explain through a model including strong anharmonicity with a quartic displacement term. In magnetic fields up to 25 T, the phonon mode splits into two modes with opposite handedness, exhibiting circular dichroism. Their frequencies display Zeeman splitting together with an overall diamagnetic shift with increasing magnetic field. Using a group-theoretical approach, we demonstrate that these observations are the result of magnetic field-induced morphic changes in the crystal symmetries through the Lorentz force exerted on the lattice ions. Thus, our Letter reveals a novel process of controlling phonon properties in a soft ionic lattice by a strong magnetic field.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Techniques and Tools for Estimating Ionospheric Effects in Interferometric and Polarimetric SAR Data

The InSAR Scientific Computing Environment (ISCE) is a flexible, extensible software tool designed for the end-to-end processing and analysis of synthetic aperture radar data. ISCE inherits the core of the ROI_PAC interferometric tool, but contains improvements at all levels of the radar processing chain, including a modular and extensible architecture, new focusing approach, better geocoding of the data, handling of multi-polarization data, radiometric calibration, and estimation and correction of ionospheric effects. In this paper we describe the characteristics of ISCE with emphasis on the ionospheric modules. To detect ionospheric anomalies, ISCE implements the Faraday rotation method using quadpolarimetric images, and the split-spectrum technique using interferometric single-, dual- and quad-polarimetric images. The ability to generate co-registered time series of quad-polarimetric images makes ISCE also an ideal tool to be used for polarimetric-interferometric radar applications.

Ionosphere↗
DOE OSTI2024

Large Electrically and Chemically Tunable Rashba–Dresselhaus Effects in Ferroelectric CsGeX 3 (X = Cl, Br, I) Perovskites

Rashba–Dresselhaus effects, which originate from spin–orbit coupling and allow for spin manipulations, are actively explored in materials, following the pursuit of spintronics and quantum computing. However, materials that possess practically significant Rashba–Dresselhaus effects often contain toxic elements and offer little opportunity for the tunability of the effects. We used first-principles simulations to reveal that the recently discovered halide ferroelectrics in the CsGeX 3 (X = Cl, Br, I) family possess large and tunable Rashba-Dresselhaus effects. In particular, they give origin to the spin splitting of up to 171 meV in the valence band of CsGeI 3 . The value is chemically tunable and can decrease by 25% and 70% for CsGeBr 3 and CsGeCl 3 , respectively. Such chemical tunability could result in the engineering of desired values through a solid solution technique. Application of an electric field was found to result in structural changes that could decrease and increase spin splitting, leading to electrical tunability of the effect. In the vicinity of conduction and valence band extrema, the spin textures are mostly of the Rashba type, which is promising for spin-to-charge conversion applications. The spin directions are coupled with the polarization direction, leading to Rashba-ferroelectricity cofunctionality. Furthermore, our work identifies lead-free perovskite halides as excellent candidates for spin-based applications and is likely to stimulate further research in this direction.

Electric fields↗
DOE OSTI2023

Quantum spin ice response to a magnetic field in the dipole-octupole pyrochlore Ce 2 Zr 2 O 7

The pyrochlore magnet Ce 2 Zr 2 O 7 has attracted much attention as a quantum spin ice candidate whose novelty derives in part from the dipolar-octupolar nature of the Ce 3+ pseudospin-1/2 degrees of freedom it possesses. We report heat capacity measurements on single crystal samples of Ce 2 Zr 2 O 7 down to T~0.1K in a magnetic field along the [$1,\bar{1},0$] direction. These measurements show that the broad hump in the zero-field heat capacity moves higher in temperature with increasing field strength and is split into two separate humps by the [$1,\bar{1},0$] magnetic field at ~2T. These separate features are due to the decomposition of the pyrochlore lattice into effectively decoupled chains for fields in this direction: One set of chains (α chains) is polarized by the field while the other (β chains) remains free. This situation is similar to that observed in the classical spin ices Ho 2 Ti 2 O 7 and Dy 2 Ti 2 O 7 , but with the twist that here the strong transverse exchange interactions produce substantial quantum effects. Our theoretical modeling suggests that the β chains are close to a critical state, with nearly-gapless excitations. We also report elastic and inelastic neutron scattering measurements on single crystal Ce 2 Zr 2 O 7 in [$1,\bar{1},0$] and [0,0,1] magnetic fields at temperatures down to T=0.03K. The elastic scattering behaves consistently with the formation of independent chains for a [$1,\bar{1},0$] field, while the [0,0,1] field produces a single field-induced elastic magnetic Bragg peak at (0,2,0) and equivalent wavevectors, indicating a polarized spin ice state for fields above ~3T. For both [$1,\bar{1},0$] and [0,0,1] magnetic fields, our inelastic neutron scattering results show an approximately dispersionless continuum of scattering that increases in both energy and intensity with increasing field strength. By modeling the complete set of experimental data using numerical linked cluster and semiclassical molecular dynamics calculations, we demonstrate the dominantly multipolar nature of the exchange interactions in Ce 2 Zr 2 O 7 and the smallness of the parameter θ, which controls the mixing between dipolar and octupolar degrees of freedom. Finally, these results support previous estimates of the microscopic exchange parameters and place strong constraints on the theoretical description of this prominent spin ice candidate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Field-induced magnetization of δ -plutonium from density functional theory

Here, we present results from density functional theory (DFT) calculations of magnetization, induced by an external magnetic field, for δ-phase plutonium. The fully relativistic electronic structure accounts for Zeeman splitting effects through a Hamiltonian that couples the magnetic field to both spin and orbital magnetic moments. The electronic-structure model is further improved by an extension to DFT in terms of an orbital-orbital coupling via the conventional orbital-polarization method, as has routinely been done for plutonium. The response to the applied magnetic field is shown to be weak in the DFT model, with induced magnetic moments of the order of in magnetic fields up to 30 T. These results are in accord with recent assessments from x-ray magnetic circular dichroism measurements in magnetic field on δ-plutonium. Somewhat surprisingly, a model assuming δ-plutonium to be absent magnetic moments shows stronger response to an external static magnetic field than models allowing for antiferromagnetism or magnetic disorder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2014

The Major Stratospheric Sudden Warming of January 2013: Analyses and Forecasts in the GEOS-5 Data Assimilation System

We examine the major stratosphere sudden warming (SSW) that occurred on 6 January 2013, using output from the NASA Global Modeling and Assimilation Office (GMAO) GEOS-5 (Goddard Earth Observing System) near-real-time data assimilation system (DAS). Results show that the major SSW of January 2013 falls into the vortex splitting type of SSW, with the initial planetary wave breaking occurring near 10 hPa. The vertical flux of wave activity at the tropopause responsible for the SSW occurred mainly in the Pacific Hemisphere, including the a pulse associated with the preconditioning of the polar vortex by wave 1 identified on 23 December 2012. While most of the vertical wave activity flux was in the Pacific Hemisphere, a rapidly developing tropospheric weather system over the North Atlantic on 28 December is shown to have produced a strong transient upward wave activity flux into the lower stratosphere coinciding with the peak of the SSW event. In addition, the GEOS-5 5-day forecasts accurately predicted the major SSW of January 2013 as well as the upper tropospheric disturbances responsible for the warming. The overall success of the 5-day forecasts provides motivation to produce regular 10-day forecasts with GEOS-5, to better support studies of stratosphere-troposphere interaction.

SSW↗
NASA NTRSDate not supplied

Overview of SatCORPS Satellite-Derived Cloud and Radiation Retrieval Coverage of ARM Domains

The ARM Climate Research Facility program maintains a number of climatically representative sites, which provide long-term cloud- and climate-monitoring records via ground-based instrumentation. These measurements provide a valuable data record over a localized region, but can be greatly enhanced by use of satellite monitoring. Satellite analyses over larger domains can provide parameters helpful for monitoring climate and evaluating models. The NASA/Langley Cloud group routinely derives such cloud and radiative parameters, from various geostationary and polar-orbiting satellite coverage over ARM sites; the group provides near-realtime analyses covering the 3 ARM fixed sites, as well as the GO-Amazon AMF site. This is accomplished by employing a suite of algorithms including VISST (Visible Infrared Solar Split-Window Technique), SIST (Solar Infrared Split-Window Technique), and SINT (Solar-infrared Infrared Near-Infrared Technique), now collectively called SatCORPS (Satellite Cloud Observations and Radiative Property retrieval System). An overview and catalog of SatCORPS-derived datasets processed for ASR, and available from both the ARM archive and the NASA/Langley Cloud group website, is provided. Specific improvements included in recently added datasets such as GO-Amazon and Azores are highlighted, including an improved cloud-detection mask, as well as improvements in derived Top-of-Atmosphere (TOA) SW albedoes and LW fluxes. New narrowband-to-broadband (NB-BB) fits and corrections for improved TOA fluxes are illustrated, including MTSAT-1/CERES Aqua NB-BB fits for the TWPICE field campaign, as well as new fits covering the Azores region which incorporate GERB TOA fluxes (Geostationery Earth Radiation Budget). Finally, validation of the reprocessed SatCORPS datasets is shown.

M M Khader↗
DOE OSTI2022

Mid-infrared chiral metasurface absorbers with split-ellipse structures

Natural chiral materials usually have very weak circular dichroism (CD) responses. Here, in this study, we design and demonstrate one type of mid-infrared chiral metasurface absorber with strong chiroptical effects, which can achieve high CD in absorption above 0.57 over the wavelength range of 5 to 5.9 μm. The maximum absorption of the chiral metasurface absorber under circularly polarized light can reach 0.90 and the maximum CD in absorption is 0.63. Meanwhile, the chiral resonance wavelength and the CD value can be tuned by varying the geometric parameters of the metasurface. A thermal analysis of the metasurface absorber further shows the strong connection between CD in absorption and temperature difference. The demonstrated chiral metasurface absorbers can be used in many promising applications such as molecular sensing, thermophotovoltaics and chiral spectroscopy.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Sea ice-atmosphere interaction. Application of multispectral satellite data in polar surface energy flux estimates

Satellite data for the estimation of radiative and turbulent heat fluxes is becoming an increasingly important tool in large-scale studies of climate. One parameter needed in the estimation of these fluxes is surface temperature. To our knowledge, little effort has been directed to the retrieval of the sea ice surface temperature (IST) in the Arctic, an area where the first effects of a changing climate are expected to be seen. The reason is not one of methodology, but rather our limited knowledge of atmospheric temperature, humidity, and aerosol profiles, the microphysical properties of polar clouds, and the spectral characteristics of the wide variety of surface types found there. We have developed a means to correct for the atmospheric attenuation of satellite-measured clear sky brightness temperatures used in the retrieval of ice surface temperature from the split-window thermal channels of the advanced very high resolution radiometer (AVHRR) sensors on-board three of the NOAA series satellites. These corrections are specified for three different 'seasons' and as a function of satellite viewing angle, and are expected to be applicable to the perennial ice pack in the central Arctic Basin.

Steffen, Konrad↗
NASA NTRS1991

Application of a monotonic upstream-biased transport scheme to three-dimensional constituent transport calculations

The application of van Leer's scheme, a monotonic, upstream-biased differencing scheme, to three-dimensional constituent transport calculations is shown. The major disadvantage of the scheme is shown to be a self-limiting diffusion. A major advantage of the scheme is shown to be its ability to maintain constituent correlations. The scheme is adapted for a spherical coordinate system with a hybrid sigma-pressure coordinate in the vertical. Special consideration is given to cross-polar flow. The vertical wind calculation is shown to be extremely sensitive to the method of calculating the divergence. This sensitivity implies that a vertical wind formulation consistent with the transport scheme is essential for accurate transport calculations. The computational savings of the time-splitting method used to solve this equation are shown. Finally, the capabilities of this scheme are illustrated by an ozone transport and chemistry model simulation.

Allen, Dale J.↗