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At least 379 records · Page 21

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NASA NTRS1984

Thermal microwave emission from vegetated fields - A comparison between theory and experiment

The radiometric measurements over bare field and fields covered with grass, soybean, corn, and alfalfa were made with 1.4- and 5-GHz microwave radiometers during August-October 1978. The measured results are compared with radiative transfer theory treating the vegetated fields as a two-layer random medium. It is found that the presence of a vegetation cover generally gives a higher brightness temperature T sub B than that expected from a bare soil. The amount of this T sub B excess increases with increase in the vegetation biomass and in the frequency of the observed radiation. The results of radiative transfer calculations, which include a parameter characterizing ground surface roughness, generally match well with the experimental data.

Wang, J. R.↗

NASA NTRS1986

Temperature dependent nonlinear metal matrix laminae behavior

An analytical method is described for computing the nonlinear thermal and mechanical response of laminated plates. The material model focuses upon the behavior of metal matrix materials by relating the nonlinear composite response to plasticity effects in the matrix. The foundation of the analysis is the unidirectional material model which is used to compute the instantaneous properties of the lamina based upon the properties of the fibers and matrix. The unidirectional model assumes that the fibers properties are constant with temperature and assumes that the matrix can be modelled as a temperature dependent, bilinear, kinematically hardening material. An incremental approach is used to compute average stresses in the fibers and matrix caused by arbitrary mechanical and thermal loads. The layer model is incorporated in an incremental laminated plate theory to compute the nonlinear response of laminated metal matrix composites of general orientation and stacking sequence. The report includes comparisons of the method with other analytical approaches and compares theoretical calculations with measured experimental material behavior. A section is included which describes the limitations of the material model.

Barrett, D. J.↗

NASA NTRS1987

Remote sensing of Earth terrain

Earth terrain covers were modeled as random media characterized by different dielectric constants and correlation functions. In order to model sea ice with brine inclusions and vegetation with row structures, the random medium is assumed to be anisotropic. A three layer model is used to simulate a vegetation field or a snow covered ice field with the top layer being snow or leaves, the middle layer being ice or trunks, and the bottom layer being sea water or ground. The strong fluctuation theory with the distorted Born approximation is applied to the solution of the radar backscattering coefficients.

Kong, Jin AU↗

NASA NTRS1987

Traveling waves and chaos in thermosolutal convection

Numerical experiments on two-dimensional thermosolutal convection reveal oscillations in the form of traveling, standing, modulated, and chaotic waves. Transitions between these wave forms and steady convection are investigated and compared with theory. Such rich nonlinear behavior is possible in fluid layers of wide horizontal extent, and provides an explanation for waves observed in recent laboratory experiments with binary fluid mixtures.

Deane, A. E.↗

NASA NTRS1991

Controllable surface-plasmon resonance in engineered nanometer epitaxial silicide particles embedded in silicon

Epitaxial CoSi2 particles in a single-crystal silicon matrix are grown by molecular-beam epitaxy using a technique that allows nanometer control over particle size in three dimensions. These composite layers exhibit resonant absorption predicted by effective-medium theory. Selection of the height and diameter of disklike particles through a choice of growth conditions allows tailoring of the depolarization factor and hence of the surface-plasmon resonance energy. Resonant absorption from 0.49 to 1.04 eV (2.5 to 1.2 micron) is demonstrated and shown to agree well with values predicted by the Garnett (1904, 1906) theory using the bulk dielectric constants for CoSi2 and Si.

Fathauer, R. W.↗

NASA NTRS2019

Numerical analysis of unsteady flow in a converging-diverging nozzle

This study investigates the physics of jet noise by the numerical solution of the three dimensional unsteady Navier-Stokes equations for a low-supersonic jet (Mach numbers on the order of 1.4) from a converging-diverging (C-D) nozzle and mixing with a subsonic surrounding flow. The numerical method used for the solution of these equations is the second order accurate MacCormack explicit predictor-corrector scheme. The numerical results are compared to the experimental results of Yamamoto for the same C-D nozzle geometry and similar operating conditions. The goal of the study is to use numerical simulation techniques to resolve accurately physical processes which contribute to jet noise, and to assess whether performing these simulations in a three dimensional geometry is worth the additional cost in computing resources as compared to a comparable simulation on a two dimensional planar or axisymmetric geometry. Scientific visualization is used to observe the spreading characteristics of the jet, as well as to examine the structure of the shocks within the jet core. The time average velocity and turbulence intensity level at various locations are computed and compared with experimental results. A two point space-time cross correlation is used to compute the mean convection speed through the shear layer, and these predictions are compared with results from theory.

James N Scott↗

NASA NTRS2019

A Multi-Physics Study on High-Specific Power Li-O2 Batteries for Electric Aircraft

Commercialization of lithium-air batteries faces many challenges, such as electrolyte decomposition, short cycle life, low energy and power density, etc. However, commercialization of Li-O2 batteries for aeronautics is much more challenging due to additional safety constraints on cyclability and performance (high specific power and specific energy). For this presentation, we will discuss inter-related aspects of physics-based modeling of a pack: cell and battery model calibration. In addition, we will evaluate and present optimal battery designs for high discharge current density, high discharge time, and low battery mass using simulation-based optimization.The Finite Element Model (FEM) used to simulate a Li-O2 cell is based on the work of Bevara [1]. The different aspects of the model are based on: porous electrode theory and concentrated electrolyte theory; quantum tunneling model for the resistance of conformal layer of discharge product (Li2O2) [1]; Butler-Volmer kinetics for electrochemical reaction; Fick's diffusion for oxygen transport; and an oxygen dissolution model is applied at the air/electrolyte interface [2]. The electrolyte properties such as ion conductivity, ion diffusion, oxygen diffusion, and mass density of the electrolyte were taken from Molecular Dynamics (MD) simulations [3]; while the other model parameters, which includes mass of cell components, were calibrated to match experiments at high discharge current densities. The cell mass includes the anode, cathode, separator, electrolyte, and other components (such as current collector). This calibrated model is used to perform parametric studies on cathode thickness, porosity, tortuosity, carbon particle size, electrolyte transport and material properties, partial pressure of oxygen, discharge time, and discharge current density to study optimal designs for high specific power and energy. References:1. Bevara, V. & Andrei, P. (2014), J. Electrochem. Soc. 161 (14), A2068-A2079.2.Mehta, M. & Andrei, P. (2015), J. Power Sources. 286, 299-308.3.Liyana-Arachchi, T.; Haskins, J.; Burke, C.; Diederichsen, K.; McCloskey, B.; & Lawson, J. (2018), J. Phys. Chem. B. 122 (36), 8548 - 8559.4.Choi, W.; Kikumoto, H.; Choudhary, R. & Ooka, R. (2018), Applied Energy, 209, 306-321.

Mehta, Mohit↗

NASA NTRS2023

Can the Streaming Instability Form the First Planetesimals in Globally Turbulent Protoplanetary Disks?

Understanding the formation of the first planetesimals remains key to deciphering the history of planet formation within our own solar system and beyond. Evidence from the vast meteorite record [e.g., 1] as well as observations [e.g., 2] strongly suggest that the first planetesimals, and perhaps giant planet core accretion occurred well within the first million years of disk evolution. Moreover, chemical and lithological mixing as well as observations of line-broadening in protoplanetary disks (PPDs) [e.g., 3-6] suggest that the solar system nebula in this epoch was weakly-to-moderately turbulent in the regions where particle growth is of the greatest interest [7-8]. It is a well-known though that global hydrodynamic turbulence complicates particle growth due to a slew of barriers that can slow or even stall particle or aggregate growth at pebble sizes (with corresponding small particle Stokes numbers St) that can lead to loss to the central star via radial drift before planetesimals can ever form [9,10], requiring that some other mechanism come into play that collects growth-frustrated pebbles into gravitationally bound multi-km bodies – objects that are “born big” [11]. The current leading candidate for such a “leap-frog” mechanism is the so-called Streaming Instability (SI), a gas-drag mediated momentum exchange resonance in which the relative velocity between the particle component and a rotating gaseous fluid can lead to high densities in the particle field [12], which has been invoked in a number of recent PPD models that include a turbulent intensity α [e.g., 13-14] as the defacto mechanism for planetesimal formation if conditions for the SI (depending on particle St and the solids-to-gas mass ratio) are satisfied. However, these previous works use conditions established from occurrence studies for the onset of SI in laminar disks [15-17] in which the only source of turbulence is that self-generated by the settling particle layer, and not externally driven global turbulence. Recent analytical theories of the SI subject to global turbulence predict much more stringent conditions for the effectiveness of the SI than the laminar case [18-19]. Thus, whether the efficient operation of the SI can be attained in realistic models of the solar nebula have yet to be established. In this work, we ask whether the conditions under which the SI can produce gravitationally bound particle overdensities can actually be met in the first million years of evolution in globally turbulent PPDs.

P R Estrada↗

DOE OSTI2025

Low Frequency Vibrational Modes of Two-Dimensional Lead-Free Metal Halide Double Perovskites

2D layered double perovskites of (S-MPA) 4 AgBiI 8 (MPA-AgBiI 8 ) and (S-MPA) 4 CuBiI 8 (MPA-CuBiI 8 ) (S-MPA, S-β-methylphenethylammonium) were synthesized with a hydrothermal method. The crystal structure of MPA-AgBiI 8 was determined using single-crystal X-ray diffraction (scXRD). Powder XRD (pXRD) data suggest that the crystal structure of MPA-CuBiI 8 is more complex than that of MPA-AgBiI 8 . UV-Vis electronic absorption spectra of these perovskites reveal a bandgap of 2.03 eV for both. Short exciton lifetime from time-resolved photoluminescence (TRPL) results and low PL intensity of the Cu-based perovskite suggest a high density of trap states within the bandgap. Low frequency Raman spectra of both materials show distinct peaks and a slightly higher frequency for the Cu-based perovskite than the Ag-based perovskite. Density functional theory (DFT) calculations were conducted to simulate the low frequency Raman spectra and help explain the different phonon modes, which are collective vibrations of metal halide bond bending and stretching within the Ag- and Cu-centered octahedra coupled with MPA libration and twisting within the inorganic layer. The DFT theory also quantified octahedral distortions in the two perovskites. Furthermore, this combined experimental and computational study provides new insights into the low frequency vibrations of 2D perovskites.

Halogens↗

NASA NTRS1994

Sonic boom propagation through turbulence: A ray theory approach

A ray theory approach is used to examine the propagation of sonic booms through a turbulent ground layer, and to make predictions about the received waveform. The rays are not propagated one at a time, as is typical in ray theory; instead, sufficient rays to represent a continuous wave front are propagated together. New rays are interpolated as needed to maintain the continuity of the wave front. In order to predict the received boom signature, the wave front is searched for eigenrays after it has propagated to the receiver. The Comte-Bellot turbulence model is used to generate an instantaneous 'snapshot' of the turbulent field. The transient acoustic wave is assumed to be sufficiently short in duration such that the time-dependacde of the turbulent field may be neglected.

Robinson, Leick D.↗

DOE OSTI2026

Revealing short- and long-range Li-ion diffusion in Li 2 MnO 3 from finite-temperature dynamical mean field theory

Li 2 MnO 3 is a key component of Li-excess layered cathodes of the form (1 − x), LiMO 2 + x, Li 2 MnO 3 (M = Mn, Ni, Co, …), yet its role in setting Li-ion transport limitations remains under debate. Here, in this study, we combine DFT+U, finite-temperature DFT+DMFT with a continuous-time quantum Monte Carlo impurity solver, and nudged-elastic-band (NEB) calculations to study Li + migration in paramagnetic Li 2 MnO 3 in the presence of a single Li vacancy. Evaluating DMFT total energies along the DFT+U NEB geometries reveals that dynamical correlations strongly renormalize the lowest-barrier processes, reducing the activation energies to E a = 0.18 eV for the shortest-range hop and E a = 0.50 eV for the next-lowest (transport-controlling) step. The 0.18 eV barrier quantitatively reproduces the short-range activation energy from µ+SR, while the 0.50 eV barrier is consistent with the long-range transport scale extracted from ac-impedance measurements. This single-vacancy, paramagnetic DMFT description thus provides a unified interpretation of local and macroscopic probes without invoking clustered vacancy configurations or strong extrinsic disorder, consistent with nearly stoichiometric Li 2 MnO 3 powders. More broadly, our results highlight finite-temperature dynamical correlations as an essential ingredient for predicting ionic migration energetics in correlated oxide electrodes.

Lee, Alex Taekyung [University of Illinois, Chicag↗

NASA NTRS1990

Surface electrons in inverted layers of p-HgCdTe

Anodic oxide passivation of p-type HgCdTe generates an inversion layer. Extremely high Hall mobility data for electrons in this layer indicated the presence of a two-dimensional electron gas. This is verified by use of the Shubnikov-de Haas effect from 1.45 to 4.15 K. Data are extracted utilizing a numerical second derivative of dc measurement. Three sub-bands are detected. Their relative occupancies are in excellent agreement with theory and with experimental results obtained on anodic oxide as accumulation layers of n-type HgCdTe. The effective mass derived is comparable to what was expected.

Schacham, Samuel E.↗

NASA NTRS1993

On the nature of the polarization opposition effect exhibited by Saturn's rings

The nature of the unusually narrow photometric and polarization opposition effects exhibited by Saturn's A and B rings is examined using a theory and results of laboratory measurements. It is pointed out that the small angular width of both phenomena makes it difficult to explain them on the basis of the commonly used shadowing models. On the other hand, it is known from laboratory experiments and theoretical studies, that a strong and very narrow opposition peak in the reflected intensity can be produced by coherent backscattering of light from powderlike layers of small regolithic grains. Using Ozrin's (1992) rigorous vector theory of coherent backscattering, it is shown that, for subwavelength-sized regolithic particles, the photometric opposition effect is accompanied by a polarization opposition effect of the same angular width. This suggests that the polarization opposition effect of the Saturn's ring has the same origin as the photometric opposition effect and is due to coherent backscattering of light from the regolithic layer composed of the submicrometer-sized ice grains.

Mishchenko, Michael I.↗

NASA NTRS1983

A model of the excitation of large scale fluctuations in a shear layer

The acoustical excitation of instability waves in free shear layers is investigated theoretically and experimentally. A configuration with a thin shear layer leaving from a semi-infinite plate is considered. The excitation by sound sources in various locations, e.g., far away from the trailing edge or very near the edge lip, is analyzed. The influence of additional walls (like those in a channel) is also predicted. The theory is extended to include two streams on both sides of the shear layer having different velocities and densities. A reference quantity for the artificial excitation is suggested. The experimental data compare well with the theory. The theory does not contain any empirical constants.

Bechert, D. W.↗

DOE OSTI2023

A Gaussian field approach to the planar electric double layer structures in electrolyte solutions

Here, in this work, the planar, electric, double-layer structures of non-polarizable electrodes in electrolyte solutions are studied with Gaussian field theory. A response function with two Yukawa functions is used to capture the electrostatic response of the electrolyte solution, from which the modified response function in the planar symmetry is derived analytically. The modified response function is further used to evaluate the induced charge density and the electrostatic potential near an electrode. The Gaussian field theory, combined with a two-Yukawa response function, can reproduce the oscillatory decay behavior of the electric potentials in concentrated electrolyte solutions. When the exact sum rules for the bulk electrolyte solutions and the electric double layers are used as constraints to determine the parameters of the response function, the Gaussian field theory could at least partly capture the nonlinear response effect of the surface charge density. Comparison with results for a planar electrode with fixed surface charge densities from molecular simulations demonstrates the validity of Gaussian field theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Expanding the Cage of 2D Bromide Perovskites by Large A-Site Cations

Two-dimensional (2D) halide perovskites have outstanding optoelectronic properties, and they feature a variety of organic cation spacers and cage A-site cations that can be incorporated into their structures. It has recently been reported that the Goldschmidt tolerance factor can be relaxed and expanded in iodide 2D perovskites. Bromide 2D perovskites, whose multilayer structures and optical properties are much less studied, provide a great platform for studying structure-property relationships for 2D perovskites with large Asite cations. Herein, we report the synthesis and structure of three new 2D bromide perovskites-(BA)(2)(MHy)(2)Pb3Br10 (BA, butylammonium; MHy, methylhydrazinium), (BA)(2)(EA)(2)Pb3Br10 (EA is ethylammonium), and (BA)(2)(DMA)Pb2Br7 (DMA is dimethylammonium). We compared them with other 2D perovskites with different A-site cations but with the same spacer and layer thickness. Single-crystal structures show that the Pb-Br bonds are elongated to accommodate the large A-site cations. Additionally, the octahedra in (BA)(2)(MHy)(2)Pb3Br10 and (BA)(2)(EA)(2)Pb3Br10 are highly distorted, and their different stacking patterns of the inner and outer layers lead to the formation of the n = 3 phases. Density functional theory calculations show that 2D perovskites with larger A-site cations (e.g., DMA, MHy, and EA) have smaller band dispersions and larger effective masses than those with Cs+ and MA. (BA)(2)(MHy)(2)Pb3Br10 also exhibits one of the largest Rashba splittings in the literature. Structures with large cage cations also exhibit high band gaps within the same n number and short photoluminescence (PL) lifetimes. Temperature- and power-dependent PL measurements reveal that the broad shoulder in the PL peak originates from the trap states.

Emission↗

NASA NTRS2015

Application of the Refined Zigzag Theory to the Modeling of Delaminations in Laminated Composites

The Refined Zigzag Theory is applied to the modeling of delaminations in laminated composites. The commonly used cohesive zone approach is adapted for use within a continuum mechanics model, and then used to predict the onset and propagation of delamination in five cross-ply composite beams. The resin-rich area between individual composite plies is modeled explicitly using thin, discrete layers with isotropic material properties. A damage model is applied to these resin-rich layers to enable tracking of delamination propagation. The displacement jump across the damaged interfacial resin layer is captured using the zigzag function of the Refined Zigzag Theory. The overall model predicts the initiation of delamination to within 8% compared to experimental results and the load drop after propagation is represented accurately.

Groh, Rainer M. J.↗

NASA NTRS2001

Impact of Functionally Graded Cylinders: Theory

This final report summarizes the work funded under the Grant NAG3-2411 during the 04/05/2000-04/04/2001 period. The objective of this one-year project was to generalize the theoretical framework of the two-dimensional higher-order theory for the analysis of cylindrical functionally graded materials/structural components employed in advanced aircraft engines developed under past NASA Glenn funding. The completed generalization significantly broadens the theory's range of applicability through the incorporation of dynamic impact loading capability into its framework. Thus, it makes possible the assessment of the effect of damage due to fuel impurities, or the presence of submicron-level debris, on the life of functionally graded structural components. Applications involving advanced turbine blades and structural components for the reusable-launch vehicle (RLV) currently under development will benefit from the completed work. The theory's predictive capability is demonstrated through a numerical simulation of a one-dimensional wave propagation set up by an impulse load in a layered half-plane. Full benefit of the completed generalization of the higher-order theory described in this report will be realized upon the development of a related computer code.

Aboudi, Jacob↗