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Results for “orientation distribution function”

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NASA NTRS1990

A physical model of the bidirectional reflectance of vegetation canopies. I - Theory. II - Inversion and validation

A new physically based analytical model of the bidirectional reflectance of vegetation canopies is derived. The model expresses the bidirectional reflectance field of a semiinfinite canopy as a combination of functions describing (1) the optical properties of the leaves through their single-scattering albedo and their phase function, (2) the average distribution of leaf orientations, and (3) the architecture of the canopy. The model is validated against laboratory and ground-based measurements in the visible and IR spectral regions, taken over two vegetation covers. The intrinsic optical properties of leaves and the information on the geometrical canopy arrangements in space were obtained using an inversion procedure based on a nonlinear optimization technique. Model predictions of bidirectional reflectances obtained using the inversion procedure compare well with actual observations.

Verstraete, Michel M.↗

NASA NTRS1988

Subduction zone earthquakes and stress in slabs

Simple viscous fluid models of subducting slabs are used to explain observations of the distribution of earthquakes as a function of depth and the orientation of stress axes of deep (greater than 300 km) and intermediate (70-300 km) earthquakes. Results suggest the following features in the distribution of earthquakes with depth: (1) an exponential decrease from shallow depths down to 250 to 300 km, (2) a minimum near 250 to 300 km, and (3) a deep peak below 300 km. Many shallow subducting slabs show only the first characteristic, while deeper extending regions tend to show all three features, with the deep peak varying in position and intensity. These data, combined with the results on the stress orientations of various-depth earthquakes, are consistent with the existence of a barrier of some sort at 670-km depth and a uniform viscosity mantle above this barrier.

Vassiliou, M. S.↗

DOE OSTI2025

Fouling behavior of zwitterionic membranes compared to polyamide membranes

Membrane fouling remains a critical bottleneck for reverse osmosis (RO) desalination, driving energy consumption and reducing membrane lifetime. Here, we employ all-atom molecular dynamics simulations to investigate the antifouling behavior of random zwitterionic amphiphilic copolymer (r-ZAC) membranes composed of sulfobetaine methacrylate (SBMA) and allyl methacrylate (AMA), benchmarked against conventional polyamide (PA) RO membranes. Structural and dynamical analyses—including radial distribution functions, coordination numbers, tetrahedral order parameters, vector orientation, and residence-time correlation functions—reveal that r-ZAC surfaces sustain tightly bound, long-lived hydration layers with preserved tetrahedrality and anisotropic water orientation, in sharp contrast to the weak and disordered hydration of PA. Steered molecular dynamics simulations demonstrate that r-ZAC membranes impose substantial free-energy barriers to foulant approach (alginate ≈ 90 kcal/mol, sucrose ≈ 35 kcal/mol, humic acid ≈ 15 kcal/mol), whereas PA membranes exhibit negligible barriers (< 1 kcal/mol) and thermodynamically favorable adsorption. Detailed foulant–surface interaction analyses show that zwitterionic hydration and electrostatic heterogeneity in r-ZAC suppress adhesion, except in the case of amphiphilic humic acid, which exploits multiple binding modes. Together, these results establish molecular-level design principles for antifouling membranes: the combination of zwitterionic hydration, structured interfacial water, and controlled amphiphilic balance in r-ZAC membranes provides superior resistance to organic fouling relative to PA.

Cross-linked polyamide↗

NASA NTRS1974

Treatment of control data in lunar phototriangulation

In lunar phototriangulation, there is a complete lack of accurate ground control points. The accuracy analysis of the results of lunar phototriangulation must, therefore, be completely dependent on statistical procedure. It was the objective of this investigation to examine the validity of the commonly used statistical procedures, and to develop both mathematical techniques and computer softwares for evaluating (1) the accuracy of lunar phototriangulation; (2) the contribution of the different types of photo support data on the accuracy of lunar phototriangulation; (3) accuracy of absolute orientation as a function of the accuracy and distribution of both the ground and model points; and (4) the relative slope accuracy between any triangulated pass points.

Wong, K. W.↗

NASA NTRS2011

Coupling Between Waveguide-Fed Slot Arrays

Coupling between two waveguide-fed planar slot arrays has been investigated using full-wave analysis. The analysis employs the method-of-moments solution to the pertinent coupled integral equations for the aperture electric field of all slots. In order to compute coupling between two arrays, the input port of the first array is excited with a TE(sub 10) mode wave while the second one is match-terminated. After solving the moment method matrix equations, the aperture fields of all slots are obtained and thereby the TE(sub 10) mode wave received at the input port of the second array is determined. Coupling between two arrays is the ratio of the wave amplitude arriving in the second array port to the incident wave amplitude at the first array port. The coupling mechanism has been studied as a function of spacing between arrays in different directions, e.g. the electric field plane, the magnetic field plane, and the diagonal plane. Computed coupling values are presented for different array geometries. This work is novel since it provides a good understanding of coupling between waveguide-fed slot arrays as a function of spacing and orientation for different aperture distributions and array architectures. This serves as a useful tool for antenna design engineers and system engineers.

Rengarajan, Sembiam↗

NASA NTRS1972

Distribution of error in least-squares solution of an overdetermined system of linear simultaneous equations

Probability density functions were derived for errors in the evaluation of unknowns by the least squares method in system of nonhomogeneous linear equations. Coefficients of the unknowns were assumed correct and computational precision were also assumed. A vector space was used, with number of dimensions equal to the number of equations. An error vector was defined and assumed to have uniform distribution of orientation throughout the vector space. The density functions are shown to be insensitive to the biasing effects of the source of the system of equations.

Miller, C. D.↗

DOE OSTI2020

ReaxFF molecular dynamics simulations of electrolyte–water systems at supercritical temperature

We have performed ReaxFF molecular dynamics simulations of alkali metal–chlorine pairs in different water densities at supercritical temperature (700 K) to elucidate the structural and dynamical properties of the system. The radial distribution function and the angular distribution function explain the inter-ionic structural and orientational arrangements of atoms during the simulation. The coordination number of water molecules in the solvation shell of ions increases with an increase in the radius of ions. We find that the self-diffusion coefficient of metal ions increases with a decrease in density under supercritical conditions due to the formation of voids within the system. The hydrogen bond dynamics has been interpreted by the residence time distribution of various ions, which shows Li+ having the highest water retaining capability. The void distribution within the system has been analyzed by using the Voronoi polyhedra algorithm providing an estimation of void formation within the system at high temperatures. We observe the formation of salt clusters of Na+ and K+ at low densities due to the loss of dielectric constants of ions. The diffusion of ions gets altered dramatically due to the formation of voids and nucleation of ions in the system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Fraction of broad absorption line quasars in different radio morphologies

ABSTRACT In this study, we investigated the orientation model of Broad Absorption Line (BAL) quasars using a sample of sources that are common in Sloan Digital Sky Survey (SDSS) Data Release (DR)-16 quasar catalogue and Very Large Array (VLA)-Faint Images of the Radio Sky at Twenty Centimeters (FIRST) survey. Using the radio cut-out images from the FIRST survey, we first designed a deep-learning model using convolutional neural networks (CNN) to classify the quasar radio morphologies into the core-only, young jet, single lobe, or triples. These radio morphologies are further sub-classified into core-dominated and lobe-dominated sources. The CNN models can classify the sources with a high precision of >98 ${{\ \rm per\ cent}}$ for all the morphological sub-classes. The average BAL fraction in the resolved core, core-dominated, and lobe-dominated quasars are consistent with the BAL fraction inferred from radio and infrared surveys. We also present the distribution of BAL quasars as a function of quasar orientation by using the radio core-dominance as an orientation indicator. A similar analysis is performed for HiBALs, LoBALs, and FeLoBALs. All the radio morphological sub-classes and BAL sub-classes show an increase in BAL fraction at high orientation angles of the jets with respect to the line of sight. Our analysis suggests that BAL quasars are more likely to be found in viewing angles close to the equatorial plane of the quasar. However, a pure orientation model is inadequate, and a combination of orientation and evolution is probably the best way to explain the complete BAL phenomena.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Direct evidence of low work function on SrVO 3 cathode using thermionic electron emission microscopy and high-field ultraviolet photoemission spectroscopy

Perovskite SrVO 3 has recently been proposed as a novel electron emission cathode material. Density functional theory (DFT) calculations suggest multiple low work function surfaces, and recent experimental efforts have consistently demonstrated effective work functions of ~2.7 eV for polycrystalline samples, both results suggesting, but not directly confirming, that some fraction of even lower work function surface is present. In this work, thermionic electron emission microscopy (ThEEM) and high-field ultraviolet photoemission spectroscopy (UPS) are used to study the local work function distribution and measure the work function of a partially oriented- (110)-SrVO 3 perovskite oxide cathode surface. Our results show direct evidence of low work function patches of about 2.0 eV on the cathode surface, with a corresponding onset of observable thermionic emission at 750 °C. We hypothesize that, in our ThEEM and UPS experiments, the high applied electric field suppresses the patch field effect, enabling the direct measurement of local work functions. This measured work function of 2.0 eV is comparable to the previous DFT-calculated work function values of the SrVO-terminated (110) SrVO 3 surface (2.3 eV) and SrO-terminated (100) surface (1.9 eV). The measured 2.0 eV value is also much lower than the work function for the (001) LaB 6 single crystal cathode (~2.7 eV) and comparable to the effective work function of B-type dispenser cathodes (~2.1 eV). If SrVO 3 thermionic emitters can be engineered to access domains of this low 2.0 eV work function, they have the potential to significantly improve thermionic emitter-based technologies.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Orientational analysis of atomic pair correlations in nanocrystalline indium oxide thin films

The application of grazing-incidence total X-ray scattering (GITXS) for pair distribution function (PDF) analysis using >50 keV X-rays from synchrotron light sources has created new opportunities for structural characterization of supported thin films with high resolution. Compared with grazing-incidence wide-angle X-ray scattering, which is only useful for highly ordered materials, GITXS/PDFs expand such analysis to largely disordered or nanostructured materials by examining the atomic pair correlations dependent on the direction relative to the surface of the supporting substrate. A characterization of nanocrystalline In 2 O 3 -derived thin films is presented here with in-plane-isotropic and out-of-plane-anisotropic orientational ordering of the atomic structure, each synthesized using different techniques. The atomic orientations of such films are known to vary based on the synthetic conditions. Here, an azimuthal orientational analysis of these films using GITXS with a single incident angle is shown to resolve the markedly different orientations of the atomic structures with respect to the planar support and the different degrees of long-range order, and hence, the terminal surface chemistries. It is anticipated that orientational analysis of GITXS/PDF data will offer opportunities to extend structural analyses of thin films by providing a means to qualitatively determine the major atomic orientation within nanocrystalline and, eventually, non-crystalline films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

GenASiS Basics: Object-oriented utilitarian functionality for large-scale physics simulations (Version 4)

GenASiS Basics provides modern Fortran classes furnishing extensible object-oriented utilitarian functionality for large-scale physics simulations on distributed memory supercomputers. This functionality includes physical units and constants; display to the screen or standard output device; message passing; I/O to disk; and runtime parameter management and usage statistics. Herein, this revision—Version 4 of Basics—includes a name change and additions to functionality, including the facilitation of direct communication between GPUs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Presentation of gas-phase-reactant-accessible single-rhodium-atom catalysts for CO oxidation, via MOF confinement of an Anderson polyoxometalate

Geometric or electronic confinement of guests within nanoporous hosts holds promise for imparting catalytic functionality, including single-metal-atom catalytic functionality, to existing materials. When the nanoporous host is a metal–organic framework (MOF), single-metal-ion catalysts have typically been installed by grafting to an open site on an inorganic node, with the node effectively becoming the support for the catalyst. This approach, however, imposes compositional constraints, as the node not only needs to be receptive to grafting, but also must be capable of stabilizing the framework against solvent evacuation, chemical exposure, and heating. Here, we show that disk-like, Anderson polyoxometalate clusters (RhMo 6 O 24 n- and Mo 7 O 24 m- ; POMs) can be confined in pore-specific and orientation-specific fashion within the hierarchically porous, Zr(IV)-based MOF, NU1K. Self-limiting loading of one cluster per pore, and associated nano-confinement, serve to isolate each POM and prevent consolidation caused by sintering. Additionally, the oriented confinement serves to expose individual rhodium atoms to candidate gas-phase reactants, while enabling the rhodium atom to employ a well-defined oxy-molybdenum cluster, rather than a MOF node, as a support. Synchrotron-based difference-electron-density maps and differential pair-distribution-function analyses of scattered X-rays establish cluster siting and orientation and confirm isolation. Nanoconfined (i.e., MOF- and POM-confined) single-rhodium(III)-atoms are catalytically competent for an illustrative gas-phase reaction, CO oxidation by O 2 , with the MOF-isolated POM enormously outperforming nonporous, MOF-free, solid (NH 4 ) 3 [H 6 RhMo 6 O 24 ]·6H 2 O. This paper highlights the value of MOF-based nano-confinement and oriented isolation of planar POMs as a means of uniformly presenting and stabilizing potent single-metal-atom catalysts, in reactant-accessible form, on well-defined supports.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1977

Two-dimensional hygrothermal diffusions into a finite width composite laminate

Two dimensional hygroscopic diffusion into composite laminates with free edges was obtained through the use of a second order finite difference scheme. A computer program was developed for the transient nonlinear coupled hygrothermal diffusion into finite width laminates with varying surface conditions along two edges. The formulation permits the diffusion coefficient to be a function of temperature, moisture concentration, and fiber orientation. The moisture distributions thus obtained are necessary for analysis of the moisture induced interlaminar stresses in the vicinity of free edges. It is shown that large diffusion times tend to eliminate the significance of stacking sequence, but gradients within and between layers are significant for all diffusion times.

Farley, G. L.↗

NASA NTRS1986

Determination of grain size distribution function using two-dimensional Fourier transforms of tone pulse encoded images

Microstructural images may be tone pulse encoded and subsequently Fourier transformed to determine the two-dimensional density of frequency components. A theory is developed relating the density of frequency components to the density of length components. The density of length components corresponds directly to the actual grain size distribution function from which the mean grain shape, size, and orientation can be obtained.

Generazio, E. R.↗

NASA NTRS1988

Determination of grain-size distribution function using two-dimensional Fourier transforms of tone-pulse-encoded images

Microstructural images may be tone pulse encoded and subsequently Fourier transformed to determine the two-dimensional density of frequency components. A theory is developed relating the density of frequency components to the density of length components. The density of length components corresponds directly to the actual grain-size distribution function from which the mean grain shape, size, and orientation can be obtained.

Generazio, E. R.↗

NASA NTRS1993

An architecture and model for cognitive engineering simulation analysis - Application to advanced aviation automation

The process of designing crew stations for large-scale, complex automated systems is made difficult because of the flexibility of roles that the crew can assume, and by the rapid rate at which system designs become fixed. Modern cockpit automation frequently involves multiple layers of control and display technology in which human operators must exercise equipment in augmented, supervisory, and fully automated control modes. In this context, we maintain that effective human-centered design is dependent on adequate models of human/system performance in which representations of the equipment, the human operator(s), and the mission tasks are available to designers for manipulation and modification. The joint Army-NASA Aircrew/Aircraft Integration (A3I) Program, with its attendant Man-machine Integration Design and Analysis System (MIDAS), was initiated to meet this challenge. MIDAS provides designers with a test bed for analyzing human-system integration in an environment in which both cognitive human function and 'intelligent' machine function are described in similar terms. This distributed object-oriented simulation system, its architecture and assumptions, and our experiences from its application in advanced aviation crew stations are described.

Corker, Kevin M.↗

NASA NTRS1987

Hemispherical reflectance variations of vegetation canopies and implications for global and regional budget studies

The hemispherical reflectance (HR) variations of vegetation canopies are studied as a function of solar zenith angle, wavelength, and canopy characteristics (leaf area index, leaf orientation distribution, and leaf and soil optical properties). The radiative transfer model of Kimes (1984) is used to explain the radiative transfers that give rise to variations in the HR for various vegetation canopies as a function of sun angle. The results of this model are compared with those calculated from Sellers' (1985) analytical two-stream approximation. It is noted that the findings have significant implications for a wide range of global and regional energy budget studies.

Kimes, D. S.↗

NASA NTRS1984

Kinematics, influence functions and field quantities for disturbance propagation from moving disturbance sources

A unified method is presented for deriving the influence functions of moving singularities which determine the field quantities in aerodynamics and aeroacoustics. The moving singularities comprise volume and surface distributions having arbitrary orientations in space and to the trajectory. Hence one generally valid formula for the influence functions which reveal some universal relationships and remarkable properties in the disturbance fields. The derivations used are completely consistent with the physical processes in the propagation field, such that treatment renders new descriptions for some standard concepts. The treatment is uniformly valid for subsonic and supersonic Mach numbers.

Das, A.↗