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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Real-structure effects: Band gaps of Mg_xZn_{1-x}O, Cd_xZn_{1-x}O, and n-type ZnO from ab-initio calculations

Many-body perturbation theory is applied to compute the quasiparticle electronic structures and the optical-absorption spectra (including excitonic effects) for several transparent conducting oxides. We discuss HSE+G{sub 0}W{sub 0} results for band structures, fundamental band gaps, and effective electron masses of MgO, ZnO, CdO, SnO{sub 2}, SnO, In{sub 2}O{sub 3}, and SiO{sub 2}. The Bethe-Salpeter equation is solved to account for excitonic effects in the calculation of the frequency-dependent absorption coefficients. We show that the HSE+G{sub 0}W{sub 0} approach and the solution of the Bethe-Salpeter equation are very well-suited to describe the electronic structure and the optical properties of various transparent conducting oxides in good agreement with experiment.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Phosphazenes 2014

Phosphazene chemistry continues to expand in its breadth and application. This article discusses new research published in 2013 covering mono- and dimeric structures, cyclotriphosphazenes, linear polymers, and the use of phosphazenic structures as ligands on metal centres. Papers report new reactions and structures as well as materials designed for specific applications, such as biomedical, energy storage, flame retardant, and optical, among others. The critical similarity is the phosphazene P-N structure that gives this area of study wide variation. Mirroring the diversity in chemistry are the tools used to probe structure and behaviour. These techniques include Nuclear Magnetic Resonance (NMR) spectrometry, various optical methods, electrochemistry, membrane transport experiments, etc. Furthermore, computational methods, such as Density Functional Theory (DFT), have been used to provide additional insight. This article is organized by structure, beginning with monomeric, dimeric, and non-cyclic phosphazenes first, followed by the cyclic and linear morphologies, with reported potential applications.

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

Chapter 3: Solar Optics and Principles

Solar irradiation originating from a finite-sized sun disc, as well as its various interactions with the atmosphere and reflective elements, results in the distribution of concentrated light at the receiver. The study of these interactions and the computation of the resulting flux distribution constitute the field of CSP optics. CSP optics is subdivided into two categories, namely, path-independent optics and geometric optics. This chapter deals primarily with the technology agnostic path-independent optics and attempts to convey some fundamental principles and to guide researchers. The path-independent optics introduced here includes sun shapes, the impact of surface microscopic and macroscopic structure, and atmospheric attenuation.

concentrating solar power↗
DOE OSTI2017

Optical potential from first principles

Here, we develop a method to construct a microscopic optical potential from chiral interactions for nucleon-nucleus scattering. The optical potential is constructed by combining the Green’s function approach with the coupled-cluster method. To deal with the poles of the Green’s function along the real energy axis we employ a Berggren basis in the complex energy plane combined with the Lanczos method. Using this approach, we perform a proof-of-principle calculation of the optical potential for the elastic neutron scattering on 16 O. For the computation of the ground-state of 16 O, we use the coupled-cluster method in the singles-and-doubles approximation, while for the A ±1 nuclei we use particle-attached/removed equation-of-motion method truncated at two-particle-one-hole and one-particle-two-hole excitations, respectively. We verify the convergence of the optical potential and scattering phase shifts with respect to the model-space size and the number of discretized complex continuum states. We also investigate the absorptive component of the optical potential (which reflects the opening of inelastic channels) by computing its imaginary volume integral and find an almost negligible absorptive component at low-energies. To shed light on this result, we computed excited states of 16 O using equation-of-motion coupled-cluster method with singles-and- doubles excitations and we found no low-lying excited states below 10 MeV. Furthermore, most excited states have a dominant two-particle-two-hole component, making higher-order particle-hole excitations necessary to achieve a precise description of these core-excited states. We conclude that the reduced absorption at low-energies can be attributed to the lack of correlations coming from the low-order cluster truncation in the employed coupled-cluster method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1984

Luneburg lens and optical matrix algebra research

Planar, as opposed to channelized, integrated optical circuits (IOCs) were stressed as the basis for computational devices. Both fully-parallel and systolic architectures are considered and the tradeoffs between the two device types are discussed. The Kalman filter approach is a most important computational method for many NASA problems. This approach to deriving a best-fit estimate for the state vector describing a large system leads to matrix sizes which are beyond the predicted capacities of planar IOCs. This problem is overcome by matrix partitioning, and several architectures for accomplishing this are described. The Luneburg lens work has involved development of lens design techniques, design of mask arrangements for producing lenses of desired shape, investigation of optical and chemical properties of arsenic trisulfide films, deposition of lenses both by thermal evaporation and by RF sputtering, optical testing of these lenses, modification of lens properties through ultraviolet irradiation, and comparison of measured lens properties with those expected from ray trace analyses.

Wood, V. E.↗
DOE OSTI2011

Optics-free x-ray FEL oscillator

There is a need for an Optics-Free FEL Oscillators (OFFELO) to further the advantages of free-electron lasers and turning them in fully coherent light sources. While SASE (Self-Amplified Spontaneous Emission) FELs demonstrated the capability of providing very high gain and short pulses of radiation and scalability to the X-ray range, the spectra of SASE FELs remains rather wide ({approx}0.5%-1%) compared with typical short wavelengths FEL-oscillators (0.01%-0.0003% in OK-4 FEL). Absence of good optics in VUV and X-ray ranges makes traditional oscillator schemes with very high average and peak spectral brightness either very complex or, strictly speaking, impossible. In this paper, we discuss lattice of the X-ray optics-free FEL oscillator and present results of initial computer simulations of the feedback process and the evolution of FEL spectrum in X-ray OFFELO. We also discuss main limiting factors and feasibility of X-ray OFFELO.

43 PARTICLE ACCELERATORS↗
NASA NTRS1989

Multiplexing electro-optic architectures for advanced aircraft integrated flight control systems

This report describes the results of a 10 month program sponsored by NASA. The objective of this program was to evaluate various optical sensor modulation technologies and to design an optimal Electro-Optic Architecture (EOA) for servicing remote clusters of sensors and actuators in advanced aircraft flight control systems. The EOA's supply optical power to remote sensors and actuators, process the modulated optical signals returned from the sensors, and produce conditioned electrical signals acceptable for use by a digital flight control computer or Vehicle Management System (VMS) computer. This study was part of a multi-year initiative under the Fiber Optic Control System Integration (FOCSI) program to design, develop, and test a totally integrated fiber optic flight/propulsion control system for application to advanced aircraft. Unlike earlier FOCSI studies, this program concentrated on the design of the EOA interface rather than the optical transducer technology itself.

Seal, D. W.↗
DOE OSTI2014

Color-mass-to-light-ratio relations for disk galaxies

We combine Spitzer 3.6 μm observations of a sample of disk galaxies spanning over 10 mag in luminosity with optical luminosities and colors to test population synthesis prescriptions for computing stellar mass. Many commonly employed models fail to provide self-consistent results: the stellar mass estimated from the luminosity in one band can differ grossly from that of another band for the same galaxy. Independent models agree closely in the optical (V band), but diverge at longer wavelengths. This effect is particularly pronounced in recent models with substantial contributions from TP-AGB stars. We provide revised color-mass-to-light ratio relations that yield self-consistent stellar masses when applied to real galaxies. The B – V color is a good indicator of the mass-to-light ratio. Some additional information is provided by V – I, but neither it nor J – K{sub s} are particularly useful for constraining the mass-to-light ratio on their own. In the near-infrared, the mass-to-light ratio depends weakly on color, with typical values of 0.6 M {sub ☉}/L {sub ☉} in the K{sub s} band and 0.47 M {sub ☉}/L {sub ☉} at 3.6 μm.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Programmable photonic integrated meshes for modular generation of optical entanglement links

Abstract Large-scale generation of quantum entanglement between individually controllable qubits is at the core of quantum computing, communications, and sensing. Modular architectures of remotely-connected quantum technologies have been proposed for a variety of physical qubits, with demonstrations reported in atomic and all-photonic systems. However, an open challenge in these architectures lies in constructing high-speed and high-fidelity reconfigurable photonic networks for optically-heralded entanglement among target qubits. Here we introduce a programmable photonic integrated circuit (PIC), realized in a piezo-actuated silicon nitride (SiN)-in-oxide CMOS-compatible process, that implements an N × N Mach–Zehnder mesh (MZM) capable of high-speed execution of linear optical transformations. The visible-spectrum photonic integrated mesh is programmed to generate optical connectivity on up to N = 8 inputs for a range of optically-heralded entanglement protocols. In particular, we experimentally demonstrated optical connections between 16 independent pairwise mode couplings through the MZM, with optical transformation fidelities averaging 0.991 ± 0.0063. The PIC’s reconfigurable optical connectivity suffices for the production of 8-qubit resource states as building blocks of larger topological cluster states for quantum computing. Our programmable PIC platform enables the fast and scalable optical switching technology necessary for network-based quantum information processors.

47 OTHER INSTRUMENTATION↗
NASA NTRS1995

Nonsphericity of dust-like tropospheric aerosols: Implications for aerosol remote sensing and climate modeling

T-matrix computations of light scattering by polydispersions of randomly oriented nonspherical aerosols and Mie computations for equivalent spheres are compared. Findings show that even moderate nonsphericity results in suubstantial errors in the retrieved aerosol optical thickness if satellite reflectance measurements are analyzed using Mie theory. On the other hand, the use of Mie theory for nonspherical aerosols produces negligible errors in the computation of albedo and flux related quantities, provided that the aerosol size distribution and optical thickness are known beforehand. The first result can be explained by large nonspherical-spherical differences in scattering phase function, while the second result follows from small nonspherical-spherical differences in single-scattering albedo and asymmetry parameter. No cancellation of errors occurs if one consistently uses Mie theory in the retrieval algorithm and then in computing the albedo for the retrieved aerosol optical thickness.

Mishchenko, M. I.↗
NASA NTRS2016

Fast Simulation of the NICER Instrument

The NICER mission uses a complicated physical system to collect information from objects that are, by x-ray timing science standards, rather faint. To get the most out of the data we will need a rigorous understanding of all instrumental effects. We are in the process of constructing a very fast, high fidelity simulator that will help us to assess instrument performance, support simulation-based data reduction, and improve our estimates of measurement error. We will combine and extend existing optics, detector, and electronics simulations. We will employ the Compute Unied Device Architecture (CUDA2) to parallelize these calculations. The price of suitable CUDA-compatible multi-gigaflop cores is about $0.20/core, so this approach will be very cost-effective.

gEDA↗
DOE OSTI2023

Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning

Over the past decade, there has been a growth of interest in polaritonic chemistry, where the formation of hybrid light–matter states (polaritons) can alter the course of photochemical reactions. These hybrid states are created by strong coupling between molecules and photons in resonant optical cavities and can even occur in the absence of light when the molecule is strongly coupled with the electromagnetic fluctuations of the vacuum field. Here, we present a first-principles model to simulate nonadiabatic dynamics of such polaritonic states inside optical cavities by leveraging graphical processing units (GPUs). Our first implementation of this model is specialized for a single molecule coupled to a single-photon mode confined inside the optical cavity but with any number of excited states computed using complete active space configuration interaction (CASCI) and a Jaynes–Cummings-type Hamiltonian. Using this model, we have simulated the excited-state dynamics of a single salicylideneaniline (SA) molecule strongly coupled to a cavity photon with the ab initio multiple spawning (AIMS) method. We demonstrate how the branching ratios of the photodeactivation pathways for this molecule can be manipulated by coupling to the cavity. We also show how one can stop the photoreaction from happening inside of an optical cavity. Finally, we also investigate cavity-based control of the ordering of two excited states (one optically bright and the other optically dark) inside a cavity for a set of molecules, where the dark and bright states are close in energy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Displacement analysis of the interior walls of a pipe using panoramic holo-interferometry

Standard phase-displacement equations, used for both double exposure and real time holo-interferometry, are combined with the geometrical mapping and optical characteristics of panoramic annular lenses to accurately measure surface displacement on the interior wall of a pipe. In this approach, one panoramic annular lens is used to illuminate the surface with coherent light, and the resulting intensity distribution is holographically recorded through a second panoramic annular lens. Interference fringes are obtained in real-time by comparing holograms recorded before and after the pipe is displaced. The annular images and the holographic fringes are acquired and stored digitally in a computer system. Image transformation algorithms are applied to remove optical distortions in the holographic pattern and fringe loci are compared to those predicted on the basis of theory.

Gilbert, John A.↗
NASA NTRS1989

A study of three techniques used in the diffraction analysis of shaped dual-reflector antennas

An examination is presented of three techniques used for the efficient computation of fields diffracted by a subreflector that has been shaped by geometrical optics synthesis. It is found that these techniques, which are based on the geometrical theory of diffraction (GTD), produce errors in the computed fields that are specific to shaped reflectors. These errors are examined for a reflector system shaped to produce maximum gain from a tapered feed illumination. The discrepancies are directly related to the caustic being located near an observation point of the GTD calculations. The errors found are localized, and they increase in magnitude as the caustic approaches the main reflector. In a general offset geometry, the location of the caustic may be located arbitrarily close to the main reflector given a prescribed output aperture distribution. For the specific case considered here-the common situation of shaping to produce maximum gain-the caustic is located near the edge of the main reflector and on the reflection shadow boundary. A local correction is derived which creates a uniform solution through the caustic and across the reflection shadow boundary. Away from this point the calculation receeds to the standard GTD solution.

Cwik, Tom A.↗
DOE OSTI2015

Structural, vibrational spectroscopic and nonlinear optical activity studies on 2-hydroxy- 3, 5-dinitropyridine: A DFT approach

The conformational analysis was carried out for 2-Hydroxy- 3, 5-dinitropyridine molecule using potential energy surface scan and the most stable optimized conformer was predicted. The vibrational frequencies and Mulliken atomic charge distribution were calculated for the optimized geometry of the molecule using DFT/B3LYP cc-pVQZ basis set by Gaussian 09 Program. The vibrational frequencies were assigned on the basis of potential energy distribution calculation using VEDA 4.0 program. In the Frontier molecular orbitals analysis, the molecular reactivity, kinetic stability, intramolecular charge transfer studies and the calculation of ionization energy, electron affinity, global hardness, chemical potential, electrophilicity index and softness values of the title molecule were carried out. The nonlinear optical activity of the molecule was studied by means of first order hyperpolarizability, which was computed as 7.64 times greater than urea. The natural bond orbital analysis was performed to confirm the nonlinear optical activity of the molecule.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗