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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Fluid Flow Investigations within a 37 Element CANDU Fuel Bundle Supported by Magnetic Resonance Velocimetry and Computational Fluid Dynamics

The current work presents experimental and computational investigations of fluid flow through a 37 element CANDU nuclear fuel bundle. Experiments based on Magnetic Resonance Velocimetry (MRV) permit three-dimensional, three-component fluid velocity measurements to be made within the bundle with sub-millimeter resolution that are non-intrusive, do not require tracer particles or optical access of the flow field. Computational fluid dynamic (CFD) simulations of the foregoing experiments were performed with the hydra-th code using implicit large eddy simulation, which were in good agreement with experimental measurements of the fluid velocity. Greater understanding has been gained in the evolution of geometry-induced inter-subchannel mixing, the local effects of obstructed debris on the local flow field, and various turbulent effects, such as recirculation, swirl and separation. These capabilities are not available with conventional experimental techniques or thermal-hydraulic codes. Finally, the overall goal of this work is to continue developing experimental and computational capabilities for further investigations that reliably support nuclear reactor performance and safety.

42 ENGINEERING↗
NASA NTRS1988

Antenna pointing compensation based on precision optical measurement techniques

The pointing control loops of the Deep Space Network 70 meter antennas extend only to the Intermediate Reference Structure (IRS). Thus, distortion of the structure forward of the IRS due to unpredictable environmental loads can result in uncompensated boresight shifts which degrade blind pointing accuracy. A system is described which can provide real time bias commands to the pointing control system to compensate for environmental effects on blind pointing performance. The bias commands are computed in real time based on optical ranging measurements of the structure from the IRS to a number of selected points on the primary and secondary reflectors.

Schumacher, L. L.↗
DOE OSTI2019

Autogenous healing of Engineered Cementitious Composites (ECC) based on MgO-fly ash binary system activated by carbonation curing

Developing self-healing of concrete cracks represents a critical approach for extending material longevity. If demonstrated on concretes with CO 2 stored through carbonation curing, self-healing can further mitigate infrastructure lifecycle emissions. In this study, the self-healing process is investigated on novel Engineered Cementitious Composites (ECC) based on binary blends of reactive MgO cement and siliceous fly ash activated by carbonation. The self-healing was observed under cyclic wetting and drying exposures and was characterized by measurements of resonance frequency, optical microscopy and X-ray computed microtomography (XCT). Thermogravimetric analysis, X-ray powder diffraction and scanning electron microscopy were employed to assist in identifying healing products and mechanisms. It was found that micro-cracks could be autogenously filled in 7 wet-dry cycles, as evidenced by over 95% recovery of resonance frequency and healed crack appearance under optical microscopic observation. Nevertheless, the composite mechanical performance, particularly tensile strength and ductility, did not fully recover with respect to the uncracked specimens. The inadequate post-healing mechanical properties were consistent with XCT observations that indicated low material densities in the cracked area. Based on the chemical and microstructural characterizations, it was determined that nesquehonite crystallites were responsible for the crack filling. Although the nesquehonite filled cracks will be less permeable to invasion of reactive fluids, novel strategies are needed to establish more robust healing capability to completely restore the crack bridging and composite tensile performance.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Characterizing SOI Wafers By Use Of AOTF-PHI

Developmental nondestructive method of characterizing layers of silicon-on-insulator (SOI) wafer involves combination of polarimetric hyperspectral imaging by use of acousto-optical tunable filters (AOTF-PHI) and computational resources for extracting pertinent data on SOI wafers from polarimetric hyperspectral images. Offers high spectral resolution and both ease and rapidity of optical-wavelength tuning. Further efforts to implement all of processing of polarimetric spectral image data in special-purpose hardware for sake of procesing speed. Enables characterization of SOI wafers in real time for online monitoring and adjustment of production. Also accelerates application of AOTF-PHI to other applications in which need for high-resolution spectral imaging, both with and without polarimetry.

Cheng, Li-Jen↗
DOE OSTI2013

A Quantum Alloy: The Ligand-Protected Au{sub 25-x}Ag{sub x}(SR){sub 18} Cluster

Recent synthetic advances have produced very small (sub-2 nm), ligand-protected mixed-metal clusters. Realization of such clusters allows the investigation of fundamental questions: (1) Will heteroatoms occupy specific sites within the cluster? (2) How will the inclusion of heteroatoms affect the electronic structure and chemical properties of the cluster? (3) How will these very small mixed-metal systems differ from larger, more traditional alloy materials? In this report we provide experimental and computational characterization of the ligand-protected mixed-metal Au{sub 25–x}Ag{sub x}(SC{sub 2}H{sub 4}Ph){sub 18} cluster (abbreviated as Au{sub 25–x}Ag{sub x}, where x = 0–5 Ag atoms) compared with the unsubstituted Au{sub 25}(SC{sub 2}H{sub 4}Ph){sub 18} cluster (abbreviated as Au{sub 25}). Density functional theory analysis has predicted that Ag heteroatoms will preferentially occupy sites on the surface of the cluster core. X-ray photoelectron spectroscopy revealed Au–Ag state mixing and charge redistribution within the Au{sub 25–x}Ag{sub x} cluster. Optical spectroscopy and nonaqueous electrochemistry indicate that Ag heteroatoms increased the cluster lowest unoccupied molecular orbital (LUMO) energy, introduced new features in the Au{sub 25–x}Ag{sub x} absorbance spectrum, and rendered some optical transitions forbidden. In situ spectroelectrochemical experiments revealed charge-dependent Au{sub 25–x}Ag{sub x} optical properties and oxidative photoluminescence quenching. Finally, O{sub 2} adsorption studies have shown Au{sub 25–x}Ag{sub x} clusters can participate in photomediated charge-transfer events. These results illustrate that traditional alloy concepts like metal-centered state mixing and internal charge redistribution also occur in very small mixed-metal clusters. However, resolution of specific heteroatom locations and their impact on the cluster’s quantized electronic structure will require a combination of computational modeling, optical spectroscopy, and nonaqueous electrochemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Meta-optic accelerators for object classifiers

Rapid advances in deep learning have led to paradigm shifts in a number of fields, from medical image analysis to autonomous systems. These advances, however, have resulted in digital neural networks with large computational requirements, resulting in high energy consumption and limitations in real-time decision-making when computation resources are limited. Here, we demonstrate a meta-optic–based neural network accelerator that can off-load computationally expensive convolution operations into high-speed and low-power optics. In this architecture, metasurfaces enable both spatial multiplexing and additional information channels, such as polarization, in object classification. End-to-end design is used to co-optimize the optical and digital systems, resulting in a robust classifier that achieves 93.1% accurate classification of handwriting digits and 93.8% accuracy in classifying both the digit and its polarization state. This approach could enable compact, high-speed, and low-power image and information processing systems for a wide range of applications in machine vision and artificial intelligence.

42 ENGINEERING↗
DOE OSTI2019

Computation of magnetic fields from field components on a plane grid

An algorithm is presented to calculate the field components of the magnetic field [B x (x, y, z), B y (x, y, z), B z (x, y, z)] at a point (x, y, z) in space, from the knowledge of the components [B x (x, y) = 0, z), B y (x, y = 0, z), B z (x, y = 0,z)] on a “reference plane”, which is normal to the y-axis at . The algorithm, which is a general one and is not restricted to fields with mid-plane symmetry is based on the Maclaurin series expansion of the magnetic field components at any point in space in terms of the distance (y) of the point from the reference plane. The coefficients of the Maclaurin series expansion are expressed in terms of the on-plane field components and their partial derivatives with respect to spatial coordinates (). The field components are usually generated from magnetic field measurements on a rectangular grid on the plane. This algorithm was employed in 1986 in the RAYTRACE computer code to help calculate the optical properties of magnets and of the Alternating Gradient Synchrotron (AGS) at the Brookhaven National Laboratory (BNL). Here, a general mathematical formulation of this algorithm based on the differential algebraic method was presented by Makino in 2011. This paper presents the step by step derivation of the algorithm and provides the necessary formulas to be introduced by the reader in any computer code which requires the field components generated by magnetic devices. In addition provides an example of the use of the algorithm and its limitations as applied to a Halbach type magnet with or without median plane symmetry.

43 PARTICLE ACCELERATORS↗
NASA NTRS1990

Satellite measurements of large-scale air pollution - Measurements of forest fire smoke

The transport, optical properties, total mass, and removal of smoke produced by forest fires in western Canada during late July and early August 1982 are studied using NOAA 7 AVHRR data. Color composite imagery is produced to track the movement of the smoke over Canada and the U.S. as the smoke traveled thousands of km from the source region. Smoke optical thickness, particle size, and single scattering albedo are computed using radiances measured by AVHRR bands 1 and 2. Results show that smoke optical thickness ranged from less that 0.1 to greater than 3.7 and the geometric mean mass radii ranged from 300 to 900 nm. The smoke single scattering albedo ranged from 0.9 to nearly 1.0. The total smoke mass over the eastern U.S. ranged from 0.1 to 0.5 Tg, which is close to the 0.5 Tg estimated from the forest fuel content. The smoke lifetime is estimated to be between 15 and 20 days.

Ferrare, Richard A.↗
NASA NTRS1975

Man-Computer Interactive Data Access System (McIDAS). Continued development of McIDAS and operation in the GARP Atlantic tropical experiment

The complete output of the Synchronous Meteorological Satellite was recorded on one inch magnetic tape. A quality control subsystem tests cloud track vectors against four sets of criteria: (1) rejection if best match occurs on correlation boundary; (2) rejection if major correlation peak is not distinct and significantly greater than secondary peak; (3) rejection if correlation is not persistent; and (4) rejection if acceleration is too great. A cloud height program determines cloud optical thickness from visible data and computer infrared emissivity. From infrared data and temperature profile, cloud height is determined. A functional description and electronic schematics of equipment are given.

Suomi, V. E.↗
NASA NTRS2020

Infrared spectra and optical constants of astronomical ices: III. Propane, propylene, and propyne

Infrared (IR) spectra of the hydrocarbon ices C3H8 (propane), C3H6 (propylene, propene), and C3H4 (propyne, methylacetylene) are relevant to the study of the low-temperature chemistry and spectroscopy of objects within and beyond the Solar System, but IR band strengths and absorption coefficients are lacking for these compounds. Here we present new IR spectra of crystalline and non-crystalline forms of C3H8, C3H6, and C3H4. Measurements of ice density and refractive index also are reported, two quantities needed to compute IR absorption coefficients, band strengths, optical constants, and, ultimately, abundances of propane, propylene, and propyne in extraterrestrial environments and in laboratory experiments. Suggestions and interpretations are offered regarding the multiple crystalline forms of propane and propylene observed. Applications and extensions are described.

Reggie L. Hudson↗
NASA NTRS2020

Infrared Spectra and Optical Constants of Astronomical Ices: III. Propane, Propylene, and Propyne

Infrared (IR) spectra of the hydrocarbon ices C3H8 (propane), C3H6 (propylene, propene), and C3H4 (propyne, methylacetylene) are relevant to the study of the low-temperature chemistry and spectroscopy of objects within and beyond the Solar System, but IR band strengths and absorption coefficients are lacking for these compounds. Here we present new IR spectra of crystalline and non-crystalline forms of C3H8, C3H6, and C3H4. Measurements of ice density and refractive index also are reported, two quantities needed to compute IR absorption coefficients, band strengths, optical constants, and, ultimately, abundances of propane, propylene, and propyne in extraterrestrial environments and in laboratory experiments. Suggestions and interpretations are offered regarding the multiple crystalline forms of propane and propylene observed. Applications and extensions are described.

Ices↗
NASA NTRS2020

Infrared spectra and optical constants of astronomical ices: III. Propane, propylene, and propyne

Infrared (IR) spectra of the hydrocarbon ices C3H8 (propane), C3H6 (propylene, propene), and C3H4 (propyne, methylacetylene) are relevant to the study of the low-temperature chemistry and spectroscopy of objects within and beyond the Solar System, but IR band strengths and absorption coefficients are lacking for these compounds. Here we present new IR spectra of crystalline and non-crystalline forms of C3H8, C3H6, and C3H4. Measurements of ice density and refractive index also are reported, two quantities needed to compute IR absorption coefficients, band strengths, optical constants, and, ultimately, abundances of propane, propylene, and propyne in extrater-restrial environments and in laboratory experiments. Suggestions and interpretations are offered regarding the multiple crystalline forms of propane and propylene observed. Applications and extensions are described.

Reggie L. Hudson↗
NASA NTRS2020

Infrared Spectra and Optical Constants of Astronomical Ices: III. Propane, Propylene, and Propyne

Infrared (IR) spectra of the hydrocarbon ices C3H8 (propane), C3H6 (propylene, propene), and C3H4 (propyne, methylacetylene) are relevant to the study of the low-temperature chemistry and spectroscopy of objects within and beyond the Solar System, but IR band strengths and absorption coefficients are lacking for these compounds. Here we present new IR spectra of crystalline and non-crystalline forms of C3H8, C3H6, and C3H4. Measurements of ice density and refractive index also are reported, two quantities needed to compute IR absorption coefficients, band strengths, optical constants, and, ultimately, abundances of propane, propylene, and propyne in extraterrestrial environments and in laboratory experiments. Suggestions and interpretations are offered regarding the multiple crystalline forms of propane and propylene observed. Applications and extensions are described.

Reggie L Hudson↗
NASA NTRS1984

Photovoltaic module encapsulation design and materials section, volume 2

Tests for chemical structure, material properties, water absorption, aging and curing agent of Ethylene Vinyl Acetate (EVA) and UV absorption studies are carried out. A computer model was developed for thermal optical modeling, to investigate dependence between module operating temperature and solar insolation, and heat dissapation behavior. Structural analyses were performed in order to determine the stress distribution under wind and heat conditions. Curves are shown for thermal loading conditions. An electrical isolation was carried out to investigate electrical stress aging of non-metallic encapsulation materials and limiting material flaws, and to develop a computer model of electrical fields and stresses in encapsulation materials. In addition, a mathematical model was developed and tests were conducted to predict hygroscopic and thermal expansion and contraction on a plastic coated wooden substrate. Thermal cycle and humidity freezing cycle tests, partial discharge tests, and hail impact tests were also carried out. Finally, the effects of soiling on the surface of photovoltaic modules were investigated. Two antisoiling coatings, a fluorinated silane and perflourodecanoic acid were considered.

Cuddihy, E. F.↗
DOE OSTI2023

Computationally-driven discovery of second harmonic generation in EuBa 3 (B 3 O 6 ) 3 through inversion symmetry breaking

Nonlinear optical (NLO) crystals with superior properties are significant for advancing laser technologies and applications. Introducing rare earth metals to borates is a promising and effective way to modify the electronic structure of a crystal to improve its optical properties in the visible and ultraviolet range. In this work, we computationally discover inversion symmetry breaking in EuBa 3 (B 3 O 6 ) 3 , which was previously identified as centric, and demonstrate noncentrosymmetry via synthesizing single crystals for the first time by the floating zone method. We determine the correct space group to be P 6¯. The material has a large direct bandgap of 5.56 eV and is transparent down to 250 nm. The complete anisotropic linear and nonlinear optical properties were also investigated with a d 11 of ∼0.52 pm/V for optical second harmonic generation. Further, it is Type I and Type II phase matchable. This work suggests that rare earth metal borates are an excellent crystal family for exploring future deep ultraviolet (DUV) NLO crystals. It also highlights how first principles computations combined with experiments can be used to identify noncentrosymmetric materials that have been wrongly assigned to be centrosymmetric.

He, Jingyang (ORCID:0000000238863659)↗
DOE OSTI2018

Transparent Dielectric Metasurfaces for Spatial Mode Multiplexing

Expanding the use of physical degrees of freedom to employ spatial multiplexing of data in optical communication is considered to be the most disruptive and effective solution for meeting the capacity demand of the growing information traffic. Development of space division–multiplexing methods stimulated research on spatial encoding, detection, and processing of data, attracting interest from various fields of science. Here a passive all–dielectric metasurface with near–unity transmission is demonstrated that engineers spatial mode profiles, potentially of an arbitrary complexity. The broadband response of the metasurface covers all S, C, and L bands of fiber communications. Unlike conventional phase plates, the metasurface allows for both phase and polarization conversion, providing full flexibility for the mode engineering. The dielectric metasurface is employed for mode multiplexing in a free–space optical communication system with an extinction ratio in excess of 20 dB over the whole C–band with negligible penalty even for 100 Gb s –1 data transmission. Furthermore, these results merge two seemingly different fields, optical communication and metamaterials , and they suggest a novel approach for an ultimate miniaturization of mode multiplexers and advanced LiFi technologies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Domain Separated Density Functional Theory for Reaction Energy Barriers and Optical Excitations

We recently proposed Domain Separated Density Functional Theory (DS-DFT), a framework that allows for the combination of different levels of theory for the computation of the electronic structure of molecules. Here, this work discusses the application of DS-DFT to the computation of transition-state energy barriers and optical absorption spectra. We considered several hydrogen abstraction reactions and optical spectra of molecule/metal cluster systems, including the absorption of individual species such as carbon monoxide, methane, and molecular hydrogen to a Li6 cluster. We present and discuss two domain-separated methods: i), the screened-density approximation (SDA), and, ii), linearly weighted exchange (LWE). We find that SDA, which is applied as a hybridization based on atomic domains, could be useful to computing energy barriers, whereas LWE is suited for the analysis of electronic properties such as ground-state gaps, excitation energies, and oscillator strengths.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A New Reflected Target Optical Assessment System: Stage 1 Development Results

NREL has completed stage 1 development of an indoor optical measurement tool for fully assembled heliostats and single facets. This tool began as an indoor version of NREL’s outdoor Non-Intrusive Optical (NIO) measurement technique [1]. It uses similar techniques to other available tools (deflectometry, photogrammetry, etc.), but is designed to require very little infrastructure, labor, and time to set up and collect surface slope and canting measurements, making it a valuable tool for quality assurance and laboratory measurement of heliostat optics. It accomplishes this by using computer vision, photogrammetry, and multiple images stitched together to minimize the printed target size and required setup precision. This adaptable setup is useful for taking measurements at a variety of heliostat pointing angles, and for measuring fully assembled heliostats on the assembly line. In this paper, we describe the methodology behind the measurement system, present an initial analysis of its uncertainty and sensitivity, and compare it with established optical measurement systems.

Kesseli, Devon (ORCID:0000000193113036)↗