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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2013

Simulation of the Microwave Emission of Multi-layered Snowpacks Using the Dense Media Radiative Transfer Theory: the DMRT-ML Model

DMRT-ML is a physically based numerical model designed to compute the thermal microwave emission of a given snowpack. Its main application is the simulation of brightness temperatures at frequencies in the range 1-200 GHz similar to those acquired routinely by spacebased microwave radiometers. The model is based on the Dense Media Radiative Transfer (DMRT) theory for the computation of the snow scattering and extinction coefficients and on the Discrete Ordinate Method (DISORT) to numerically solve the radiative transfer equation. The snowpack is modeled as a stack of multiple horizontal snow layers and an optional underlying interface representing the soil or the bottom ice. The model handles both dry and wet snow conditions. Such a general design allows the model to account for a wide range of snow conditions. Hitherto, the model has been used to simulate the thermal emission of the deep firn on ice sheets, shallow snowpacks overlying soil in Arctic and Alpine regions, and overlying ice on the large icesheet margins and glaciers. DMRT-ML has thus been validated in three very different conditions: Antarctica, Barnes Ice Cap (Canada) and Canadian tundra. It has been recently used in conjunction with inverse methods to retrieve snow grain size from remote sensing data. The model is written in Fortran90 and available to the snow remote sensing community as an open-source software. A convenient user interface is provided in Python.

snowpacks↗
DOE OSTI2022

Luminescence from Self‐Trapped Excitons and Energy Transfers in Vacancy‐Ordered Hexagonal Halide Perovskite Cs 2 HfF 6 Doped with Rare Earths for Radiation Detection

Abstract Compared to halides Cs 2 HfX 6 (X = Cl, Br, I) with a vacancy‐ordered cubic double perovskite structure, the halide Cs 2 HfF 6 (CHF), with a hexagonal Bravais lattice, possesses a higher mass density and chemical stability for radiation detection. Luminescence properties and energy transfer mechanisms of rare‐earths‐doped CHF materials are studied here. The structure of CHF is identified as a new type of vacancy‐ordered hexagonal perovskite, with the same type of building blocks of the double perovskite but stacked with single layers. Density‐functional theory calculations reveal a large bandgap of CHF. A broad emission is observed from the pristine CHF host, which is suggested to be associated with self‐trapped excitons (STEs). A series of rare‐earths‐doped materials are designed utilizing the STE emissions, and efficient energy transfers from STEs and Tb 3+ to Eu 3+ are achieved for tunable emissions. The codoped material shows stable emission under X‐ray irradiation, with 10.2% reduction from its initial emission intensity, associated with possible structural evolution by radiation‐induced deformation of the soft host. The radiation responses of singly and codoped materials are evaluated, and the codoped material is found to be more sensitive to the radiation energy than the singly doped or pristine CHF for radiation detection.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Janus Nanocages of Platinum-Group Metals and Their Use as Effective Dual-Electrocatalysts

Janus nanocages with distinctive platinum-group metals on the outer and inner surfaces can naturally catalyze at least two different reactions. In this work, we report a general method based on successive deposition and then selective etching for the facile synthesis of such nanocages. Herein, we have fabricated 11 different types of Janus nanocages characterized by a uniform size and well-defined {100} facets, together with porous, ultrathin, asymmetric walls up to 1.6 nm thick. When tested as dual-electrocatalysts toward oxygen reduction and evolution reactions, the Janus nanocages based on Pt and Ir exhibited superior activities depending on the thickness and relative position of the metal layer. Density functional theory studies suggest that the alloy composition and surface structure of the nanocages both play important roles in enhancing the electrocatalytic activities by modulating the stability of key reaction intermediates.

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

Anisotropic Thermal Transport in Quasi-2D Ruddlesden-Popper Hybrid Perovskite Superlattices

Two-dimensional hybrid metal-halide perovskites (2D-MHPs) have emerged as important solution-processed semiconductors with favorable optical and electronic properties for diverse applications in photovoltaics, optoelectronics, and spintronics. The quasi-2D layered structures, featuring large acoustic impedance mismatches between the organic and inorganic sublattices, are expected to result in distinct and anisotropic thermal transport properties along the cross-plane and in-plane directions. Here, we introduce transducer-free vibrational-pump-visible-probe (VPVP) approaches that enable accurate quantification of anisotropic thermal transport properties in various archetypical single-crystalline 2D-MHPs. Specifically, using VPVP spectroscopy and VPVP microscopy, we measure the anisotropic thermal diffusivities of 2D-MHPs with systematically varied Pb-I octahedral layer thicknesses, as well as organic spacer types and lengths, revealing how these structural parameters alter the cross-plane and in-plane thermal transport properties in distinct ways. While diffuse interface scattering plays an important role in dictating cross-plane thermal transport, in-plane thermal transport is primarily determined by phonon transport within interconnected inorganic layers. Density functional theory incorporating four-phonon scatterings provides further insight into the low thermal conductivity and modest thermal conduction anisotropy in 2D-MHPs. Our work demonstrates a new all-optical and noncontact method, which requires minimal sample preparation and allows direct visualization of cross-plane and in-plane thermal transport, potentially compatible with sample environments. The demonstrated VPVP approaches can advance understanding of thermal transport in 2D-MHPs as well as wide-ranging hybrid and polymeric semiconductors beyond 2D-MHPs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Introducing the monoclinic polymorph of the honeycomb magnet Na 2 Co 2 TeO 6

Recent theoretical studies have suggested that the low-energy Hamiltonian of honeycomb cobaltate systems could be dominated by anisotropic Kitaev interactions. Motivated by the theory, a honeycomb layered material Na 2 Co 2 TeO 6 with a hexagonal unit cell has been studied and found to exhibit antiferromagnetic (AFM) ordering at 27 K with two spin reorientation transitions at 15 and 5 K. Here we report a monoclinic polymorph of Na 2 Co 2 TeO 6 , also with honeycomb layered structure but with a single AFM transition at 9.6 K and without spin reorientation transitions at lower temperatures. Here, using neutron diffraction, we identify an in-plane zigzag AFM order in the ground state with the spins canted out of the honeycomb planes and ferromagnetically coupled between them. The zigzag order is suppressed by a magnetic field of 6T. The lower critical temperature and field, positive Curie-Weiss temperature, and out-of-plane canting of spins in the monoclinic Na 2 Co 2 TeO 6 suggest enhanced frustration in this polymorph compared to the hexagonal one.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1981

Transport properties for a mixture of the ablation products C, C2, and C3

The ablation of carbon-phenolic heat shields upon entry into the atmosphere of one of the outer planets leads to the injection of large amounts of C, C2, and C3 into the shock layer. These species must be included in the calculation of transport properties in the shock layer. The kinetic theory of gases has been used to obtain accurate results for the transport properties of monatomic carbon. The Hulburt-Hirschelder potential, the most accurate general purpose atom-atom potential for states with an attractive minimum, was used to represent such states and repulsive states were represented by fitting quantum mechanical potential energy curves with the exponential repulsive potential. These results were orientation averaged according to the peripheral force model to obtain transport collision integrals for the C-C2 and C2-C2 interaction. Results for C3 were obtained by ignoring the presence of the central carbon atom. The thermal conductivity, viscosity, and diffusion coefficients for pure C, C2, and C3, and for mixtures of these gases, were then calculated from 1000 K - 25,000 K.

Biolsi, L.↗
NASA NTRS1981

Stationary electrostatic solitary waves in the auroral plasma

Time-stationary fluid equations are used to describe electrostatic solitons in an auroral plasma of cold ionospheric and hot plasma sheet particles. A one-dimensional fluid analysis of the four component model auroral plasma indicates that at least two different, weakly damped, small amplitude electrostatic solitons can propagate along the geomagnetic field. The slower of the two is a generalization of an ion-acoustic solitary wave in a multi-component plasma, and ion inertia is negligible for the faster mode which is supported by the two electron components and resembles a clump of shielded negative space charge convected by the drifting plasma sheet electrons. Some expected features of the large amplitude properties are indicated qualitatively, and an analogy is considered between the theory of ion-acoustic shocks and a theory of double layers.

Lotko, W.↗
NASA NTRS1986

Comparative accuracy of the Albedo, transmission and absorption for selected radiative transfer approximations

Illustrations of both the relative and absolute accuracy of eight different radiative transfer approximations as a function of optical thickness, solar zenith angle and single scattering albedo are given. Computational results for the plane albedo, total transmission and fractional absorption were obtained for plane-parallel atmospheres composed of cloud particles. These computations, which were obtained using the doubling method, are compared with comparable results obtained using selected radiative transfer approximations. Comparisons were made between asymptotic theory for thick layers and the following widely used two stream approximations: Coakley-Chylek's models 1 and 2, Meador-Weaver, Eddington, delta-Eddington, PIFM and delta-discrete ordinates.

King, M. D.↗
NASA NTRS1986

Comparative accuracy of selected multiple scattering approximations

Doubling method computational results which have yielded plane albedo, total transmission and fractional absorption for plane-parallel atmospheres composed of cloud droplets are presently compared with data obtained with selected radiative transfer approximations. The relative and absolute accuracies of asymptotic theory for thick layers and delta-Eddington, Meador-Weaver (1980) and Coakley-Chylek (1975) approximations are compared as a function of optical thickness, solar zenith angle, and single scattering albedo. The delta-Eddington approximation is the most accurate for conservative scattering when the solar zenith angle is small, while Meador-Weaver is the most accurate for nonconservative scattering.

King, M. D.↗
NASA NTRS1987

Electric fields and double layers in plasmas

Various mechanisms for driving double layers in plasmas are briefly described, including applied potential drops, currents, contact potentials, and plasma expansions. Some dynamical features of the double layers are discussed. These features, as seen in simulations, laboratory experiments, and theory, indicate that double layers and the currents through them undergo slow oscillations which are determined by the ion transit time across an effective length of the system in which double layers form. It is shown that a localized potential dip forms at the low potential end of a double layer, which interrupts the electron current through it according to the Langmuir criterion, whenever the ion flux into the double is disrupted. The generation of electric fields perpendicular to the ambient magnetic field by contact potentials is also discussed. Two different situations were considered; in one, a low-density hot plasma is sandwiched between high-density cold plasmas, while in the other a high-density current sheet permeates a low-density background plasma. Perpendicular electric fields develop near the contact surfaces. In the case of the current sheet, the creation of parallel electric fields and the formation of double layers are also discussed when the current sheet thickness is varied. Finally, the generation of electric fields and double layers in an expanding plasma is discussed.

Singh, Nagendra↗
NASA NTRS1993

Stability of oscillatory two phase Couette flow

We investigate the stability of two phase Couette flow of different liquids bounded between plane parallel plates. One of the plates has a time dependent velocity in its own plane, which is composed of a constant steady part and a time harmonic component. In the absence of time harmonic modulations, the flow can be unstable to an interfacial instability if the viscosities are different and the more viscous fluid occupies the thinner of the two layers. Using Floquet theory, we show analytically in the limit of long waves, that time periodic modulations in the basic flow can have a significant influence on flow stability. In particular, flows which are otherwise unstable for extensive ranges of viscosity ratios, can be stabilized completely by the inclusion of background modulations, a finding that can have useful consequences in many practical applications.

Coward, Adrian V.↗
NASA NTRS1996

Studies in Thermocapillary Convection of the Marangoni-Benard Type

The effects of imposed nonlinear oscillatory shear upon the onset of Marangoni-Bernard convection, as predicted by linear theory, in a layer of liquid with a deformable free surface were reported upon by Or and Kelly for small amplitude oscillations. Depending on the operating conditions, either stabilization or destabilization might occur. The aim of the current paper is to report the results for finite amplitude imposed oscillations so that the actual amount of stabilization or destabilization can be determined for prescribed operating conditions.

Kelly, Robert E.↗
NASA NTRS2003

Martian Buried Basins and Implications for Characteristics of the Burial Layer and Underlying Surface

Deciphering the cratering record on Mars has been challenging because it may reflect the changes in both the population of impactors and in the resurfacing processes on Mars. However, it is possible to determine the breadth of impactors captured in the cratering record. Extensive areas of resurfacing are of particular interest because they likely contain material from various ages in Martian history. By deducing the impact populations in both surface and underlying layers of terrain, it is possible to determine the age of the layers and constrain theories on the development of the Martian surface. However, to do so requires a method of seeing impact features which are no longer visible. Topographic data of Mars, taken by the Mars Orbiter Laser Altimeter (MOLA), has revealed impact features buried by resurfacing processes. These features are often indistinguishable on Viking images of the Martian surface. In this study, gridded MOLA data was analyzed in order to locate buried impact features, also called buried basins, in Syria, Solis, and Sinai Planum just south of Valles Marineris. The population statistics of buried features can be compared to those of visible features in order to determine the age of the underlying material and characteristics of the surface cover. Specifically, if the buried population in the Hesperian terrain is similar to the population of visible features in the Noachian, it would suggest that the underlying terrain is Noachian in age. The buried craters can then be compared to visible Noachian craters to reveal the amount of deterioration of the buried features. These comparisons allow us to explore the morphology of the terrain in the Hesperian region to determine if topographic variations are due to differences in the thickness of the overlying material or are a characteristic of the underlying terrain.

Sarid, A. R.↗
NASA NTRS2003

Martian Buried Basins and Implications for Characteristics of the Burial Layer and Underlying Surface

Deciphering the cratering record on Mars has been challenging because it may reflect the changes in both the population of impactors and in the resurfacing processes on Mars. However, it is possible to determine the breadth of impactors captured in the cratering record. Extensive areas of resurfacing are of particular interest because they likely contain material from various ages in Martian history. By deducing the impact populations in both surface and underlying layers of terrain, it is possible to determine the age of the layers and constrain theories on the development of the Martian surface. However, to do so requires a method of "seeing" impact features which are no longer visible.

Sarid, A. R.↗
DOE OSTI2021

Low-frequency Raman signature of Ag-intercalated few-layer MoS 2

Density functional theory based calculations and experimental analysis on a limited number of real samples are performed to study how the presence of silver intercalated in the van der Waals gap of few-layer MoS 2 affects the low-frequency Raman active modes of this material. Silver is found to predominantly affect the breathing-like and shear-like vibrational modes of MoS 2 . These modes correspond to quasi-rigid movements of each individual layer with a restoring force (and, in turn, frequency) that is determined by modulations in the weak interlayer interactions. Noticeable red-shifts with increasing Ag concentration are found for all low-frequency modes. This finding indicates the potential for low-frequency vibrations as useful gauges for practical determination of silver concentration using low-frequency Raman spectroscopy. Finally, this work also describes a semi-classical linear chain model that allows to extrapolate results to a large number of layers. Further, first-principles calculations show how Raman spectroscopy can be used to characterize the quality of the two-dimensional interface between MoS 2 and a silver substrate.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The Role of Metal Substitution in Tuning Anion Redox in Sodium Metal Layered Oxides Revealed by X‐Ray Spectroscopy and Theory

Abstract We investigate high‐valent oxygen redox in the positive Na‐ion electrode P2‐Na 0.67− x [Fe 0.5 Mn 0.5 ]O 2 (NMF) where Fe is partially substituted with Cu (P2‐Na 0.67− x [Mn 0.66 Fe 0.20 Cu 0.14 ]O 2 , NMFC) or Ni (P2‐Na 0.67− x [Mn 0.65 Fe 0.20 Ni 0.15 ]O 2 , NMFN). From combined analysis of resonant inelastic X‐ray scattering and X‐ray near‐edge structure with electrochemical voltage hysteresis and X‐ray pair distribution function profiles, we correlate structural disorder with high‐valent oxygen redox and its improvement by Ni or Cu substitution. Density of states calculations elaborate considerable anionic redox in NMF and NMFC without the widely accepted requirement of an A‐O‐A′ local configuration in the pristine materials (where A=Na and A′=Li, Mg, vacancy, etc.). We also show that the Jahn–Teller nature of Fe 4+ and the stabilization mechanism of anionic redox could determine the extent of structural disorder in the materials. These findings shed light on the design principles in TM and anion redox for positive electrodes to improve the performance of Na‐ion batteries.

Abate, Iwnetim↗