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At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

A model predicting the evolution of ice particle size spectra and radiative properties of cirrus clouds. Part 2: Dependence of absorption and extinction on ice crystal morphology

This study builds upon the microphysical modeling described in Part 1 by deriving formulations for the extinction and absorption coefficients in terms of the size distribution parameters predicted from the micro-physical model. The optical depth and single scatter albedo of a cirrus cloud can then be determined, which, along with the asymmetry parameter, are the input parameters needed by cloud radiation models. Through the use of anomalous diffraction theory, analytical expressions were developed describing the absorption and extinction coefficients and the single scatter albedo as functions of size distribution parameters, ice crystal shapes (or habits), wavelength, and refractive index. The extinction coefficient was formulated in terms of the projected area of the size distribution, while the absorption coefficient was formulated in terms of both the projected area and mass of the size distribution. These properties were formulated as explicit functions of ice crystal geometry and were not based on an 'effective radius.' Based on simulations of the second cirrus case study described in Part 1, absorption coefficients predicted in the near infrared for hexagonal columns and rosettes were up to 47% and 71% lower, respectively, than absorption coefficients predicted by using equivalent area spheres. This resulted in single scatter albedos in the near-infrared that were considerably greater than those predicted by the equivalent area sphere method. Reflectances in this region should therefore be underestimated using the equivalent area sphere approach. Cloud optical depth was found to depend on ice crystal habit. When the simulated cirrus cloud contained only bullet rosettes, the optical depth was 142% greater than when the cloud contained only hexagonal columns. This increase produced a doubling in cloud albedo. In the near-infrared (IR), the single scatter albedo also exhibited a significant dependence on ice crystal habit. More research is needed on the geometrical properties of ice crystals before the influence of ice crystal shape on cirrus radiative properties can be adequately understood. This study provides a way of coupling the radiative properties of absorption, extinction, and single scatter albedo to the microphysical properties of cirrus clouds. The dependence of extinction and absorption on ice crystal shape was not just due to geometrical differences between crystal types, but was also due to the effect these differences had on the evolution of ice particle size spectra. The ice particle growth model in Part 1 and the radiative properties treated here are based on analytical formulations, and thus represent a computationally efficient means of modeling the microphysical and radiative properties of cirrus clouds.

Mitchell, David L.↗
DOE OSTI2020

Green synthesis and characterization of nontoxic L-methionine capped silver and gold nanoparticles

The simple green method for synthesis of stable L-Methionine (L-Met) capped silver (Ag@LM NPs) and gold (Au@LM NPs) nanoparticles (NPs) without adding any additional reduction agent or stabilizer was developed. Colloidal dispersions were characterized by UV–Vis spectrophotometry. The size and spherical shape of NPs were evaluated by transmission electron microscopy. Their surface covering was confirmed by atomic force microscopy, Fourier transform infrared spectroscopy, dynamic light scattering, and zeta potential measurements. Density functional theory calculations pointed that the preferential adsorption mode of L-Met on both Ag and Au surfaces was a vertical binding geometry via –NH2 group, while horizontal binding mode via [sbnd]S[sbnd] and –NH2 groups is also possible. The genotoxicity (evaluated by the micronucleus assay) of NPs, as well as their effects on some oxidative stress parameters (catalase activity, malondialdehyde level), were assessed in vitro using human peripheral blood cells as a model system. The influence of NPs on the morphology of lymphocyte cells studied using atomic force microscopy revealed that the membrane of cells remained unaffected after the treatment with NPs. When considering the effects of NPs on catalase activity and malondialdehyde level, neither particle type promoted oxidative stress. However, the treatment of lymphocytes with Ag@LM NPs induced a concentration-dependent enhancement of the micronuclei incidence and suppression of the cell proliferation while Au@LM NPs promoted cell proliferation, with no significant effects on micronuclei formation. The Ag@LM NPs were more prone to induce DNA damage than Au@LM NPs, which makes the latter type more suitable for further studies in nano-medicine. © 2019.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Effect of mono- and multi-valent ionic environments on the in-lattice nanoparticle-grafted single-stranded DNA

The polyelectrolyte (PE) chains respond in a complex manner to the multivalent salt environments, and this behavior depends on pH, temperature, and the presence of specific counter ions. Although much work was done to understand the behaviour of free PE chains, it is important to reveal their behaviour on nanoparticle's surface, where surface constraints, particle geometry, and multi-chain environment can affect their behaviour and contribute to particles assembly states. Our work investigates, using in-situ small-angle x-ray scattering (SAXS), the morphology of PEs (single-stranded DNA) chains grafted onto a surface of spherical gold nanoparticles assembled in a lattice in the presence of monovalent, divalent and trivalent salts. For divalent salts, the DNA brush length was found to decrease at a faster rate with salt concentration than in the monovalent salt environment, while trivalent salt lead to a chain collapse. Using a power law analysis and modified Daoud-Cotton model, we have obtained insight into the mechanism of nanoparticle-grafted chain's response to ionic environments. Our analysis suggests that the decrease in a brush length is due to the conventional electrostatic screening for monovalent systems, whereas for divalent systems both, electrostatic screening and divalent ion bridging must be considered.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1974

Fabrication of optical reflecting diffraction gratings by light-interference phenomenon

Features of technique: major reduction in cost of fabrication; gratings exhibit low stray or scattered radiation, improve signal noise ratio, and eliminate false spectral-lines; gratings can be fabricated free of optical aberrations, with high groove frequencies, and on practically any surface geometry; and fabrication time has been reduced.

Caruso, A. J.↗
NASA NTRS1983

Radar and infrared remote sensing of terrain, water resources, arctic sea ice, and agriculture

Radar range measurements, basic waveforms of radar systems, and radar displays are initially described. These are followed by backscatter from several types of terrain and vegetation as a function of frequency and grazing angle. Analytical models for this backscatter include the facet models of radar return, with range-angle, velocity-range, velocity-angle, range, velocity, and angular only discriminations. Several side-looking airborne radar geometries are presented. Radar images of Arctic sea ice, fresh water lake ice, cloud-covered terrain, and related areas are presented to identify applications of radar imagery. Volume scatter models are applied to radar imagery from alpine snowfields. Short pulse ice thickness radar for subsurface probes is discussed in fresh-water ice and sea ice detection. Infrared scanners, including multispectral, are described. Diffusion of cold water into a river, Arctic sea ice, power plant discharges, volcanic heat, and related areas are presented in thermal imagery. Multispectral radar and infrared imagery are discussed, with comparisons of photographic, infrared, and radar imagery of the same terrain or subjects.

Biggs, A. W.↗
NASA NTRS1990

Users manual for AUTOMESH-2D: A program of automatic mesh generation for two-dimensional scattering analysis by the finite element method

AUTOMESH-2D is a computer program specifically designed as a preprocessor for the scattering analysis of two dimensional bodies by the finite element method. This program was developed due to a need for reproducing the effort required to define and check the geometry data, element topology, and material properties. There are six modules in the program: (1) Parameter Specification; (2) Data Input; (3) Node Generation; (4) Element Generation; (5) Mesh Smoothing; and (5) Data File Generation.

Hua, Chongyu↗
NASA NTRS1992

Quasi-linear velocity space diffusion of heavy cometary pickup ions on bispherical diffusion characteristics

We consider an ion transport equation describing the source, convection, adiabatic acceleration, and quasi-linear velocity diffusion of cometary pickup ions. The equation is solved numerically along solar wind plasma flow lines for the environment of Comet Halley, to obtain distributions at positions on the Giotto spacecraft trajectory which may be compared with observations. We obtain full two-dimensional (pitch angle and velocity) numerical distributions which show pitch angle scattering about the wave scattering centers at +/- V(A), where V(A) is the Alfven wave speed in the solar wind frame. Peak ion phase-space densities approximately follow the bispherical shell geometry. The energy distributions F(v) agree well with Giotto observations at lower v, but in the high-energy tail there is evidence possibly for the first-order Fermi acceleration mechanism taking place in the Comet Halley foreshock region.

Huddleston, D. E.↗
NASA NTRS2021

Development of Spaceborne SoOp Reflectometry Model for Complex Terrains

Following the launch of multiple global navigation satel-lite system (GNSS) reflectometry (GNSS-R) missions, theSignals of Opportunity (SoOp) method has proven to be apowerful tool for geophysical parameter retrieval for land ap-plications such as soil moisture. Having demonstrated thefeasibility of the SoOp techniques at P- and S-band, the devel-opment of SoOp measurements beyond the GNSS frequencyregime is highly anticipated. The SoOp Coherent Bistatic(SCoBi) model and simulator, developed in 2017 and open-sourced in 2018, has been made available to provide multi-frequency, fully polarimetric SoOp simulations for ground-based applications through the joint use of analytical wavetheory and distorted Borne approximation to evaluate landcontributions from multilayer dielectric profiles composed ofsoil moisture, vegetation, and surface roughness effects. Thispaper describes the advancement of SCoBi from a ground-and airborne-based model to a spaceborne model. This ex-tension allows for fully polarimetric, complex delay-Dopplermap (DDM) simulations through evaluation of the coherentsuperposition of electric fields emerging from a grid of ori-ented facets. The model generates a grid of facets by de-termining the geometry of contributing elements from digitalelevation models, with each element providing its contribu-tion under a flat-earth assumption. This module will enablethe analysis of fully polarimetric scattering from frequenciesavailable across the ultra-high frequency (UHF) regime.

D R Boyd↗
NASA NTRS2018

A Cloud Algorithm Based on the O2-O2 477 nm Absorption Band Featuring an Advanced Spectral Fitting Method and the Use of Surface Geometry-Dependent Lambertian-Equivalent Reflectivity

We discuss a new cloud algorithm that retrieves an effective cloud pressure, also known as cloud optical centroid pressure (OCP), from oxygen dimer (O2-O2) absorption at 477nm after determining an effective cloud fraction (ECF) at 466nm, a wavelength not significantly affected by trace-gas absorption and rotational Raman scattering. The retrieved cloud products are intended for use as inputs to the operational nitrogen dioxide (NO2) retrieval algorithm for the Ozone Monitoring Instrument (OMI) flying on the Aura satellite. The cloud algorithm uses temperature-dependent O2-O2 cross sections and incorporates flexible spectral fitting techniques that account for specifics of the surface reflectivity. The fitting procedure derives O2-O2 slant column densities (SCDs) from radiances after O3, NO2, and H2O absorption features have been removed based on estimates of the amounts of these species from independent OMI algorithms. The cloud algorithm is based on the frequently used mixed Lambertian-equivalent reflectivity (MLER) concept. A geometry-dependent Lambertian-equivalent reflectivity (GLER), which is a proxy of surface bidirectional reflectance, is used for the ground reflectivity in our implementation of the MLER approach. The OCP is derived from a match of the measured O2-O2 SCD to that calculated with the MLER method. Temperature profiles needed for computation of vertical column densities are taken from the Global Modeling Initiative (GMI) model. We investigate the effect of using GLER instead of climatological LER on the retrieved ECF and OCP. For evaluation purposes, the retrieved ECFs and OCPs are compared with those from the operational OMI cloud product, which is also based on the same O2-O2 absorption band. Impacts of the application of the newly developed cloud algorithm to the OMI NO2 retrieval are discussed.

cloud fraction and pressure↗
NASA NTRS2022

High-precision predictions of properties of chemically disordered crystals

Multiple scattering theory (MST) combined with density functional theory (DFT) allows to predict properties of chemically disordered materials from the first principles. However, such predictions often suffer from the systematic errors, which depend on crystal geometry. Each computed property of a particular crystal structure typically has a relatively small random error and a larger systematic error. Cancellation of systematic errors allows more accurate predictions. We propose a computational methodology based on the subtraction of the systematic errors in MST. To exemplify it, we apply it to the precipitated alloys. Considering precipitation strengthening in Ni superalloys, we compute the relative enthalpies of the competing Ni_3(Al_{1-x}Ti_x)_1 crystal structures with a chemical disorder on the Al+Ti sublattice. Such predicted composition-structure-property dependencies are useful for the guided design of the next-generation alloys with improved strength. Our predictions are validated by comparison with the results of other DFT methods (having a higher computational cost) and with experiment.

density functional theory↗
DOE OSTI2020

Detector Tilt Considerations in Bragg Coherent Diffraction Imaging: A Simulation Study

This paper addresses the three-dimensional signal distortion and image reconstruction issues in X-ray Bragg coherent diffraction imaging (BCDI) in the event of a general non-orthogonal orientation of the area detector with respect to the diffracted beam. Growing interest in novel BCDI adaptations at fourth-generation synchrotron light sources has necessitated improvisations in the experimental configuration and the subsequent data analysis. One such possibly unavoidable improvisation that is envisioned in this paper is a photon-counting area detector whose face is tilted away from the perpendicular to the Bragg-diffracted beam during the acquisition of the coherent diffraction signal. We describe a likely circumstance in which one would require such a detector configuration, along with the experimental precedent at third-generation synchrotrons. Using physically accurate diffraction simulations from synthetic scatterers in the presence of such tilted detectors, we analyze the general nature of the observed signal distortion qualitatively and quantitatively and provide a prescription to correct for it during image reconstruction. Our simulations and reconstructions are based on an adaptation of the known theory of BCDI sampling geometry, as well as the recently developed projection-based methods of wavefield propagation. Such configurational modifications and their numerical remedies are potentially valuable in realizing unconventional coherent diffraction measurement geometries, eventually paving the way for the integration of BCDI into new material characterization experiments at next-generation light sources.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Signatures of Cooper pair dynamics and quantum-critical superconductivity in tunable carrier bands

Different superconducting pairing mechanisms are markedly distinct in the underlying Cooper pair kinematics. Quantum-critical soft modes drive pairing interactions in which the pair scattering processes are highly collinear and can be classified into two categories: forward scattering and backscattering. Conversely, in conventional phonon mechanisms, Cooper pair scattering is of a generic noncollinear character. In this study, we present a method to discern the kinematic type by observing the evolution of superconductivity while adjusting the Fermi surface geometry. To demonstrate our approach, we utilize the recently reported phase diagrams of untwisted graphene multilayers. Our analysis connects the emergence of superconductivity at “ghost crossings” of Fermi surfaces in distinct valleys to the pair kinematics of a backscattering type. Together with the observed nonmonotonic behavior of superconductivity near its onset (sharp rise followed by a drop), it lends strong support to a particular quantum-critical superconductivity scenario in which pairing is driven by intervalley coherence fluctuations. These findings offer direct insights into the genesis of pairing in these systems, providing compelling evidence for the electron–electron interactions driving superconductivity. More broadly, our work highlights the potential of tuning bands via ghost crossings as a promising means of boosting superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1977

Thermal radiation model for solid rocket booster plumes

The Monte Carlo method is used to model the thermal radiation field of the plumes for the dual solid rocket boosters astride the Space Shuttle launch configuration. The model accounts for axial and radial variations in radiative properties of the plumes. The plumes are considered to be composed of a dispersion of aluminum oxide (Al2O3) particles immersed in the gaseous products of combustion. The principal emitting gases are taken to be CO, CO2, H2O, and HCl. The thermal model is based on local thermodynamic equilibrium. Scattering of radiant energy by Al2O3 particles may be treated as isotropic or anisotropic. Sample radiant heating rates to the base region of the Space Shuttle are shown. Space Shuttle geometries are simulated as combinations of quadric surfaces.

Watson, G. H.↗
DOE OSTI2023

How to GIWAXS: Grazing Incidence Wide Angle X‐Ray Scattering Applied to Metal Halide Perovskite Thin Films

Abstract The frequency of reports utilizing synchrotron‐based grazing incident wide angle X‐ray scattering (GIWAXS) to study metal halide perovskite thin films has exploded recently, as this technique has proven invaluable for understanding several structure‐property relationships that fundamentally limit optoelectronic performance. The GIWAXS geometry and temporal resolution are also inherently compatible with in situ and operando setups (including ISOS protocols), and a relatively large halide perovskite research community has deployed GIWAXS to unravel important kinetic and dynamic features in these materials. Considering its rising popularity, the aim here is to accelerate the required learning curve for new experimentalists by clearly detailing the underlying analytical concepts which can be leveraged to maximize GIWAXS studies of polycrystalline thin films and devices. Motivated by the vast range of measurement conditions offered, together with the wide variety of compositions and structural motifs available (i.e., from single‐crystal and polycrystalline systems, to quantum dots and layered superlatices), a comprehensive framework for conducting effective GIWAXS experiments is outlined for different purposes. It is anticipated that providing a clear perspective for this topic will help elevate the quality of future GIWAXS studies—which have become routine—and provide the impetus required to develop novel GIWAXS approaches to resolve unsettled scientific questions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Gas Permeation and Separation Characteristics of Microporous TpHz COF Membranes Synthesized by Substrate-Assisted Interfacial Polymerization

Microporous two-dimensional covalent organic framework (2D COF) membranes offer promise for gas separation applications, but their gas transport mechanism remains unclear. In this study, a TpHz 2D COF membrane supported on a macroporous nylon substrate is prepared by substrate-assisted interfacial polymerization under mild conditions. The formation of a continuous and dense thin (~300 nm thick) TpHz layer is confirmed by scanning electron microscopy and Fourier transform infrared spectroscopy. Characterization by X-ray diffraction, grazing incidence wide-angle X-ray scattering, and N 2 porosimetry qualitatively reveals the microstructures of the supported TpHz membranes, i.e., they comprise partially oriented 2D COF lamellar crystallites with moderate crystallinity in an eclipsed (AA) stacking geometry, centering the effective membrane pore size distribution at ~1.1 nm. Further, single gas permeation data show that the transport of common molecular gases, including H 2 , He, CH 4 , N 2 , and CO 2 , through the synthesized TpHz membranes follows the Knudsen transport mechanism, where single gas permeance decreases with an increasing molecular weight and permeation temperature. Binary gas separation results show that in the equimolar CO 2 /N 2 mixture, the presence of the CO 2 surface flow slightly hinders the N 2 flow at room temperature due to the reduced membrane channel size by the adsorbed CO 2 gas layer on TpHz’s pore wall. In contrast, permeation of the equimolar CH 4 /N 2 binary mixture does not exhibit a discernible surface flow of both gases due to their much lower gas uptake on TpHz, and their transport mechanism follows Knudsen-like behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Full-wave modeling of RF waves in fusion plasmas with finite element method: Progress in past decades and its future role

This paper reviews the progress in computing radio frequency (RF) wave fields in fusion plasmas, specifically focusing on simulations utilizing the finite element method (FEM) over the past few decades. Computing RF wave fields in fusion plasmas presents unique challenges due to large simulation domains, complex antenna structures, non-local dielectric properties, and wide ranges of spatial scales. It highlights key developments and outlines future directions, primarily addressing waves in the ion cyclotron (IC) to lower hybrid (LH) frequency range. We begin with briefly revisiting earlier developments before the widespread availability of modern computer-aided engineering (CAE) software based on FEM. This historical perspective illuminates early progress and the physics difficulties that motivated ongoing work within the community. Modern wave simulations for RF antennas based on FEM are characterized by the use of detailed 3D antenna model geometry generated from engineering CAD software and localized wave dielectric model. Significant advancements have also been made in improving physics models to include phenomena such as RF sheath rectification and wave scattering. FEM-based RF simulations have also been applied to compute wave propagation in the core region, where the inclusion of non-local dielectric response is crucial. This is a challenging goal, and several promising approaches have been proposed in this area. Additionally, RF simulation development initiatives based on open-source libraries have gained popularity, demonstrating scalability and flexibility in extending physics models. This paper will discuss the advantages and disadvantages of using such a publicly available FEM library.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1976

The SNAP 27 gamma radiation spectrum obtained with a Ge/Li/ detector

The pulse height distribution, obtained experimentally using a Ge(Li) detector, was employed to determine the photon emission rate characteristic of a PuO2 fuel source known as the SNAP 27 heat source. The selfshielding parameters of the photon emitter, the efficiency of the detector and the geometry of the experiment were utilized to determine the unscattered photon emission rate of the source and the unscattered flux spectrum at a certain specified distance from the source. For the scattered part of the flux spectrum a Monte Carlo technique was employed so that the total flux spectrum could be determined at any point in the radiation field. As a result of this work, a technique was developed to obtain the unfolded radiation spectrum of the SNAP 27 heat source.

Taherzadeh, M.↗
NASA NTRS1990

Parsec-Scale Penetration of UV into Molecular Clouds: CII 158 Micron Mapping of W3, NGC 1977, and NGC 2023

The spatial distribution of the 158 microns CII fine structure line in the galactic sources W3, NGC 1977, and NGC 2023 is mapped. The emission arises from warm (100 to 300 K), dense photodissociation regions at the surface of molecular gas. In all three sources, the emission extends over parsec scales or greater. For W3 and NGC 1977, where the UV source/molecular cloud geometry presents an edge on view of the variation of CII intensity into the molecular gas, two dimensional models of the CII emission which include the effects of gas clumping and scattering by dust on the transport of UV photons are constructed. The observed CII distribution and intensity is well modeled by a clumpy or filamentary distribution to the molecular gas, with a clump/interclump gas density ratio of 100 or more, which allows deep penetration of carbon ionizing UV photons into the clouds. The penetration of UV into clumped molecular clouds may also explain the extended far IR continuum emission from these sources. The total luminosity of CII emission from a clumpy molecular cloud with adjacent or embedded octave band stars can be as much as an order of magnitude higher than the CII luminosity of a uniform cloud. In addition, the extended penetration of UV into molecular clouds will affect the abundances of atomic and molecular species and increase the fractional ionization of interclump gas and UV illuminated clump surfaces.

Howe, J. E.↗