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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Multimode two-dimensional vibronic spectroscopy. II. Simulating and extracting vibronic coupling parameters from polarization-selective spectra

We report experimental demonstrations of polarization-selection two-dimensional Vibrational-Electronic (2D VE) and 2D Electronic-Vibrational (2D EV) spectroscopies aim to map the magnitudes and spatial orientations of coupled electronic and vibrational coordinates in complex systems. The realization of that goal depends on our ability to connect spectroscopic observables with molecular structural parameters. In this paper, we use a model Hamiltonian consisting of two anharmonically coupled vibrational modes in electronic ground and excited states with linear and bilinear vibronic coupling terms to simulate polarization-selective 2D EV and 2D VE spectra. We discuss the relationships between the linear vibronic coupling and two-dimensional Huang–Rhys parameters and between the bilinear vibronic coupling term and Duschinsky mixing. We develop a description of the vibronic transition dipoles and explore how the Hamiltonian parameters and non-Condon effects impact their amplitudes and orientations. Using simulated polarization-selective 2D EV and 2D VE spectra, we show how 2D peak positions, amplitudes, and anisotropy can be used to measure parameters of the vibronic Hamiltonian and non-Condon effects. This paper, along with the first in the series, provides the reader with a detailed description of reading, simulating, and analyzing multimode, polarization-selective 2D EV and 2D VE spectra with an emphasis on extracting vibronic coupling parameters from complex spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Multimode two-dimensional vibronic spectroscopy. I. Orientational response and polarization-selectivity

Two-dimensional Electronic–Vibrational (2D EV) spectroscopy and two-dimensional Vibrational–Electronic (2D VE) spectroscopy are among the newest additions to the coherent multidimensional spectroscopy toolbox, and they are directly sensitive to vibronic couplings. In this first of two papers, the complete orientational response functions are developed for a model system consisting of two coupled anharmonic oscillators and two electronic states in order to simulate polarization-selective 2D EV and 2D VE spectra with arbitrary combinations of linearly polarized electric fields. Here, we propose analytical methods to isolate desired signals within complicated spectra and to extract the relative orientation between vibrational and vibronic dipole moments of the model system using combinations of polarization-selective 2D EV and 2D VE spectral features. Time-dependent peak amplitudes of coherence peaks are also discussed as means for isolating desired signals within the time-domain. This paper serves as a field guide for using polarization-selective 2D EV and 2D VE spectroscopies to map coupled vibronic coordinates on the molecular frame.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Polarization Selectivity of Aloof-Beam Electron Energy-Loss Spectroscopy in One-Dimensional ZnO Nanorods

Orientation-dependent electronic properties of wurtzite zinc oxide nanorods are characterized by aloof-beam electron energy-loss spectroscopy (EELS) carried out in a scanning transmission electron microscope (STEM). The two key crystal orientation differentiating transitions specific to the in-plane (13.0 eV) and out-of-plane (11.2 eV) directions with respect to the wurtzite structure are examined by first-principles density-functional theory calculations. We note some degree of orientation dependence at the onset of direct band gap transition near 3.4 eV. We demonstrate that good polarization selectivity can be achieved by placing the electron probe at different locations around the specimen with increasing impact parameter while keeping the beam-specimen orientation fixed. The observed results are qualitatively elucidated in terms of the perpendicular electric fields generated by the fast electron (60 kV) used in the microscope. The fact that good polarization selectivity can be achieved by aloof-beam EELS without the requirement of sample reorientation is an attractive aspect from the characterization method point of view in the STEM-EELS community.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1977

Selectable polarization at X-band

The X-band feeds in the Deep Space Network were upgraded to include selectable polarization in time for the Voyager missions to the outer planets. The modified antenna feed has the following major items added: two circular waveguide rotary joints, drive motor and gear reducer, gear assembly, two microswitches, and a polarization control junction box. The overall length of the feed remains the same because circular waveguide spacing sections were designed into the original feed to readily permit such modifications. There is no significant increase in antenna noise temperature compared to the original feed.

Hartop, R. W.↗
DOE OSTI2025

Site-Selective Polar Compensation of Mott Electrons in a Double-Perovskite Heterointerface

Double-perovskite oxides (DPOs) with two transition metal ions ($A_{2}BB'O_{6}$) offer a fascinating platform for exploring exotic physics and practical applications. Studying these DPOs as ultrathin epitaxial films on single crystalline substrates can add another dimension to engineering electronic, magnetic, and topological phenomena. Understanding the consequence of polarity mismatch between the substrate and the DPO would be the first step toward this broad goal. Here, we investigate this by studying the interface between a prototypical insulating DPO $Nd_{2}NiMnO_{6}$ and a wide band gap insulator $SrTiO_{3}$. The interface is found to be insulating in nature. By combining several experimental techniques and density functional theory, we establish a site-selective charge compensation process that occurs explicitly at the Mn site of the film, leaving the Ni sites inert. We further demonstrate that such surprising selectivity, which cannot be explained by existing mechanisms of polarity compensation, is directly associated with their electronic correlation energy scales. This study establishes the crucial role of Mott physics in polar compensation process and paves the way for designer doping strategies in complex oxides.

density functional theory↗
DOE OSTI2022

Low-energy electronic structure of perovskite and Ruddlesden-Popper semiconductors in the Ba-Zr-S system probed by bond-selective polarized x-ray absorption spectroscopy, infrared reflectivity, and Raman scattering

Chalcogenides in perovskite and the related layered Ruddlesden-Popper crystal structures ( chalcogenide perovskites for brevity) are an exciting family of semiconductors but remain experimentally little studied. Chalcogenide perovskites share crystal structures and some physical properties with ionic compounds such as oxide and halide perovskites, but the metal-chalcogen bonds responsible for semiconducting behavior are substantially more covalent than in these more-studied perovskites. In this study, we use complementary experimental and theoretical methods to study how the mixed ionic-covalent Zr-S bonds support the electronic structure and physical properties of perovskite BaZrS 3 and Ruddlesden-Popper Ba 3 Zr 2 S 7 . We apply theoretical methods to assign features of experimentally measured x-ray absorption spectroscopy (XAS) to particular orbital transitions, enabling a clear physical interpretation of angle-dependent, polarized XAS data measured on single-crystal samples, and an atomistic view of the covalent bonding network that facilitates charge transport. Polarized Raman measurements identify signatures of crystalline anisotropy in Ba 3 Zr 2 S 7 and enable the first assignments of mode symmetry in this material. Infrared reflectivity reveals electronic transport properties that augur well for the use of chalcogenide perovskites in optoelectronic and energy-conversion technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2013

Microwave Kinetic Inductance Detector with Selective Polarization Coupling

A conventional low-noise detector requires a technique to both absorb incident power and convert it to an electrical signal at cryogenic temperatures. This innovation combines low-noise detector and readout functionality into one device while maintaining high absorption, controlled polarization sensitivity, and broadband detection capability. The resulting far-infrared detectors can be read out with a simple approach, which is compact and minimizes thermal loading. The proposed microwave kinetic inductance detector (MKID) consists of three basic elements. The first is the absorptive section in which the incident power is coupled to a superconducting resonator at far-infrared frequency above its superconducting critical frequency (where superconductor becomes normal conductor). This absorber's shape effectively absorbs signals in the desired polarization state and is resonant at the radio frequency (RF) used for readout of the device. Control over the metal film used in the absorber allows realization of structures with either a 50% broadband or 100% resonance absorptance over a 30% fractional bandwidth. The second element is a microwave resonator - which is realized from the thin metal films used to make the absorber as transmission lines - whose resonance frequency changes due to a variation in its kinetic inductance. The resonator's kinetic inductance is a function of the power absorbed by the device. A low-loss dielectric (mono-crystalline silicon) is used in a parallel-plate transmission line structure to realize the desired superconducting resonators. There is negligible coupling among the adjacent elements used to define the polarization sensitivity of each detector. The final component of the device is a microwave transmission line, which is coupled to the resonator, and allows detection of changes in resonance frequency for each detector in the focal plane array. The spiral shape of the detector's absorber allows incident power with two polarizations to couple to the detector equally. A stepped impedance resonator was used that allows the incident power absorbed in the detecting membrane area to be uniformly distributed in the detector's transmission line at the RF readout frequency. This maximizes the sensitivity of the detector. The signal is read out via a frequency multiplexing technique that requires a minimum number of interface transmission lines for readout. This reduces the packaging complexity and coupling to the device's thermal environment.

Wollack, Edward↗
NASA NTRS1989

Results of a study on polarization mix selection for the NSCAT scatterometer

The NASA scatterometer (NSCAT) is an instrument designed to measure the radar backscatter of the ocean's surface for estimating the near-surface wind velocity. A given resolution element is observed from several different azimuth angles. From these measurements the near-surface vector wind over the ocean may be inferred using a geophysical model function relating the normalized radar backscatter coefficient (sigma0) to the near-surface wind. The results of a study to select a polarization mix for NSCAT using an end-to-end simulation of the NSCAT scatterometer and ground processing of the sigma0 measurements into unambiguous wind fields using a median-filter-based ambiguity-removal algorithm are presented. The system simulation was used to compare the wind measurement accuracy and ambiguity removal skill over a set of realistic mesoscale wind fields for various polarization mixes. Considerations in the analysis and simulation are discussed, and a recommended polarization mix is given.

Long, David G.↗
DOE OSTI2023

Spin selective charge recombination in chiral donor-bridge-acceptor triads

In this paper, we outline a physically motivated framework for describing spin-selective recombination processes in chiral systems, from which we derive spin-selective reaction operators for recombination reactions of donor–bridge–acceptor molecules, where the electron transfer is mediated by chirality and spin–orbit coupling. In general, the recombination process is selective only for spin-coherence between singlet and triplet states, and it is not, in general, selective for spin polarization. We find that spin polarization selectivity only arises in hopping-mediated electron transfer. We describe how this effective spin-polarization selectivity is a consequence of spin-polarization generated transiently in the intermediate state. Furthermore, the recombination process also augments the coherent spin dynamics of the charge separated state, which is found to have a significant effect on the recombination dynamics and to destroy any long-lived spin polarization. Although we only consider a simple donor–bridge–acceptor system, the framework we present here can be straightforwardly extended to describe spin-selective recombination processes in more complex systems.

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

Enhanced Second and Third Harmonic Generations in Metasurfaces Enabled through Point Group Design and Accidental Bound States in the Continuum

Here, we investigate enhanced second‑ and third‑harmonic generation (SHG and THG) in GaAs metasurfaces by combining electromagnetic point‑group designs with accidental bound states in the continuum (BICs). Using group theory, we predict the existence, suppression, and polarization selection rules of SHG and THG for metasurfaces belonging to the D 2h and C 2v point groups. In D 2h metasurfaces, inversion symmetry suppresses SHG while enabling polarization‑selective THG, which is strongly enhanced near accidental BICs with ultrahigh Q‑factors approaching 107. By breaking inversion symmetry to form C 2v metasurfaces through the introduction of nanogaps, SHG is now allowed and is dramatically enhanced near accidental BICs. Importantly, accidental BICs preserve polarization selection rules while providing a robust parameter range for high‑Q resonances, in contrast to quasi‑BICs induced by symmetry breaking. Our results demonstrate that the combination of point‑group theory and accidental‑BIC engineering offers a predictive and robust route toward highly efficient nonlinear metasurfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Polarization and Color Filtering Applied to Enhance Photogrammetric Measurements of Reflective Surfaces

Techniques for enhancing photogrammetric measurement of reflective surfaces by reducing noise were developed utilizing principles of light polarization. Signal selectivity with polarized light was also compared to signal selectivity using chromatic filters. Combining principles of linear cross polarization and color selectivity enhanced signal-to-noise ratios by as much as 800 fold. More typical improvements with combining polarization and color selectivity were about 100 fold. We review polarization-based techniques and present experimental results comparing the performance of traditional retroreflective targeting materials, cornercube targets returning depolarized light, and color selectivity.

Wells, Jeffrey M.↗
NASA NTRS1987

SAR (Synthetic Aperture Radar). Earth observing system. Volume 2F: Instrument panel report

The scientific and engineering requirements for the Earth Observing System (EOS) imaging radar are provided. The radar is based on Shuttle Imaging Radar-C (SIR-C), and would include three frequencies: 1.25 GHz, 5.3 GHz, and 9.6 GHz; selectable polarizations for both transmit and receive channels; and selectable incidence angles from 15 to 55 deg. There would be three main viewing modes: a local high-resolution mode with typically 25 m resolution and 50 km swath width; a regional mapping mode with 100 m resolution and up to 200 km swath width; and a global mapping mode with typically 500 m resolution and up to 700 km swath width. The last mode allows global coverage in three days. The EOS SAR will be the first orbital imaging radar to provide multifrequency, multipolarization, multiple incidence angle observations of the entire Earth. Combined with Canadian and Japanese satellites, continuous radar observation capability will be possible. Major applications in the areas of glaciology, hydrology, vegetation science, oceanography, geology, and data and information systems are described.

Source record↗
DOE OSTI2022

Development of a hardened THz energy meter for use on the kilojoule-scale, short-pulse OMEGA EP laser

A highly adaptable and robust terahertz (THz) energy meter is designed and implemented to detect energetic THz pulses from high-intensity (>10 18 W/cm 2 ) laser–plasma interactions on the OMEGA EP. THz radiation from the laser driven target is detected by a shielded pyrometer. A second identical pyrometer is used for background subtraction. The detector can be configured to detect THz pulses in the 1 mm to 30 μm (0.3- to 10-THz) range and pulse energies from joules to microjoules via changes in filtration, aperture size, and position. Additional polarization selective filtration can also be used to determine the THz pulse polarization. The design incorporates significant radiation and electromagnetic pulse shielding to survive and operate within the OMEGA EP radiation environment. We describe the design, operational principle, calibration, and testing of the THz energy meter. The pyrometers were calibrated using a benchtop laser and show linear sensitivity to up to 1000 nJ of absorbed energy. Furthermore, the initial results from four OMEGA EP THz experiments detected up to ~15 μJ at the detector, which can correspond to hundreds of mJ depending on THz emission and reflection models.

47 OTHER INSTRUMENTATION↗