Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “atomic, molecular & optical”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

High Resolution UV Spectroscopy of H2 and N2 Applied to Observations of the Planets by Spacecraft

The next generation of high resolution UV imaging spacecraft are being prepared for studying the airglow and aurora of the Earth, the other terrestrial planets and the Jovian planets. To keep pace with these technological improvements we have developed a laboratory program to provide electron impact collision cross sections of the major molecular planetary gases (H2, N2, CO2, O2, and CO). Spectra under optically thin conditions have been measured with a high resolution (lambda/delta(lambda) = 50000) UV spectrometer in tandem with electron impact collision chamber. High resolution spectra of the Lyman and Wemer band systems of H2 have been obtained and modeled. Synthetic spectral intensities based on the J-dependent transition probabilities that include ro-vibronic perturbations are in very good agreement with experimental intensities. The kinetic energy distribution of H(2p,3p) atoms resulting from electron impact dissociation of H2 has been measured. The distribution is based on the first measurement of the H Lyman-alpha (H L(alpha)) and H Lyman-beta (H L(beta)) emission line Doppler profiles. Electron impact dissociation of H2 is believed to be one of the major mechanisms leading to the observed wide profile of H L-alpha from Jupiter aurora by the Hubble Space Telescope (HST). Analysis of the deconvolved line profile of H L-alpha reveals the existence of a narrow line peak (40 mA FWHM) and a broad pedestal base (240 mA FWHM). The band strengths of the electron excited N2 (C(sup 3) Pi(sub(upsilon) - B(sup 3)Pi(sub g)) second positive system have been measured in the middle ultraviolet. We report a quantitative measurement of the predissociation fraction 0.15 +/- 01(sup .045, sub .01) at 300 K in the N2 c'(sub )4 (1)sigma(sup +, sub g) - x(1)sigma(sup +, sub g)(00) band, with an experimental determination of rotational line strengths to be used to understand N2 EUV emission from Titan, Triton and the Earth.

Ajello, J.↗
NASA NTRS2007

NASA Tech Briefs, April 2007

Topics include: Wearable Environmental and Physiological Sensing Unit; Broadband Phase Retrieval for Image-Based Wavefront Sensing; Filter Function for Wavefront Sensing Over a Field of View; Iterative-Transform Phase Retrieval Using Adaptive Diversity; Wavefront Sensing With Switched Lenses for Defocus Diversity; Smooth Phase Interpolated Keying; Maintaining Stability During a Conducted-Ripple EMC Test; Photodiode Preamplifier for Laser Ranging With Weak Signals; Advanced High-Definition Video Cameras; Circuit for Full Charging of Series Lithium-Ion Cells; Analog Nonvolatile Computer Memory Circuits; JavaGenes Molecular Evolution; World Wind 3D Earth Viewing; Lithium Dinitramide as an Additive in Lithium Power Cells; Accounting for Uncertainties in Strengths of SiC MEMS Parts; Ion-Conducting Organic/Inorganic Polymers; MoO3 Cathodes for High-Temperature Lithium Thin-Film Cells; Counterrotating-Shoulder Mechanism for Friction Stir Welding; Strain Gauges Indicate Differential-CTE-Induced Failures; Antibodies Against Three Forms of Urokinase; Understanding and Counteracting Fatigue in Flight Crews; Active Correction of Aberrations of Low-Quality Telescope Optics; Dual-Beam Atom Laser Driven by Spinor Dynamics; Rugged, Tunable Extended-Cavity Diode Laser; Balloon for Long-Duration, High-Altitude Flight at Venus; and Wide-Temperature-Range Integrated Operational Amplifier.

Source record↗
DOE OSTI2020

All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals

The Bethe-Salpeter equation (BSE) based on GW quasiparticle levels is a successful approach for calculating the optical gaps and spectra of solids and also for predicting the neutral excitations of small molecules. We here present an all-electron implementation of the GW+BSE formalism for molecules, using numeric atom-centered orbital (NAO) basis sets. We present benchmarks for low-lying excitation energies for a set of small organic molecules, denoted in the literature as “Thiel’s set.” Literature reference data based on Gaussian-type orbitals are reproduced to about one millielectron-volt precision for the molecular benchmark set, when using the same GW quasiparticle energies and basis sets as the input to the BSE calculations. For valence correlation consistent NAO basis sets, as well as for standard NAO basis sets for ground state density-functional theory with extended augmentation functions, we demonstrate excellent convergence of the predicted low-lying excitations to the complete basis set limit. A simple and affordable augmented NAO basis set denoted “tier2+aug2” is recommended as a particularly efficient formulation for production calculations. We finally demonstrate that the same convergence properties also apply to linear-response time-dependent density functional theory within the NAO formalism.

Liu, Chi↗
NASA NTRS1994

Constraints on molecular gas in cooling flows and powerful radio galaxies

We searched for molecular gas in a heterogeneous sample of five radio-loud galaxies (three of which are inferred to be in cooling flow clusters) using the Swedish-European Southern Observatory (Swedish-ESO) Submillimeter Telescope. We do not detect CO in emission in any of the cluster sources at a 3 sigma level of typically 15 mK. White et al. (1991) have suggested column densities of N(sub H) approximately 10(exp 21)/sq cm in these clusters with a spatial covering factor of order unity and a total mass of M approximately 10(exp 12) solar mass. Our limits are inconsistent with these column densities and spatial covering factor unless the molecular gas is very cold (kinetic temperature close to 2.7 K) or there only a few clouds along each line of sight. We estimate minimum temperatures in the range approximately 20-30 K. We find that clouds of atomic and molecular hydrogen require strict fine-tuning of parameter space in order to satisfy the requirements for the large column densities N(sub H) approximately 10(exp 21)/sq cm, unit covering factor, and a small number of clouds along the line of sight. Currently the only way molecular gas can be responsible for the X-ray absorption and still be consistent with our observations is if (1) there is of order one cloud along the line of sight and (2) the optical depth in C-12 1 to 0 is less than 10. In addition, we present a Very Large Array (VLA) image of NGC 4696 which suggests this object is a member of the class of 'amorphous cooling flow radio sources.' The C-12 1 to 0 line is detected in emission in PKS 0634-206, a classical double radio galaxy which is rich in extended optical emission line gas. The estimated molecular gas mass is M(sub mol) approximately 3 x 10(exp 9) solar mass and is much larger than that of the ionized component detected in hydrogen alpha suggesting that the emission-line nebula is radiation bounded.

O'Dea, Christopher P.↗
NASA NTRS2002

Measurements of Optically Transparent and Mirrored Specimens from the POSA and EOIM III Space Flight Experiments

A selected set of optically transparent specimens and first surface mirror specimens have been examined subsequent to on-orbit exposure. Certain specimens were from the Passive Optical Sample Assembly I and II experiments flown on the MIR Space Station. Other specimens were from the Energetic Oxygen Interaction with materials III experiment flown on the STS in August 1992. A comparison of pre- and post-flight transmission of reflectance measurements, as appropriate, has been carried out. Data from different specimens includes results of measurements for IR, optical, UV and/or vacuum UV wavelength intervals. Results of these measurements clearly show the effects of molecular contamination deposits on the surfaces during the on-orbit exposures. Surface analysis on a attracted set of specimens provides and estimate of contaminant thickness and composition and provides an insight into on-orbit deposition rates and surface oxidation reactions. For both the EOIM III and POSA I & II experiments, the primary source of contamination were outgassed silicones. Both experiments received approximately the same fluence of atomic oxygen (approx. 1-2 x 1020 atoms per square centimeter). ROSA specimens received between approx. 400 and 580 equivalent sun hours (ESH) of solar radiation over an 18 month period in orbit. The EOIM specimens were on an STS flight of about 1 week duration and received only approx. 5-10 ESH of solar radiation.

Pippin, Gary↗
DOE OSTI2023

Rejuvenating Star Formation Activity in an Early-type Dwarf Galaxy, LEDA 1915372, with Accreted H i Gas

We report a rare astrophysical phenomenon, in which an early-type dwarf galaxy (dE), LEDA 1915372, is accreting gas from a nearby star-forming dwarf galaxy, MRK 0689, and is rejuvenating star formation activity at the center. Both LEDA 1915372 and MRK 0689 have similar brightness of M r = -16.99 and -16.78 mag, respectively. They are located in a small group environment, separated by a sky-projected distance of 20.27 kpc (up to 70 kpc in three dimension), and have a relative line-of-sight radial velocity of 6 km s -1 . The observation of 21 cm emission with the Giant Metrewave Radio Telescope provides strong evidence of interaction between the pair of dwarf galaxies in terms of neutral hydrogen (Hi) morphology and kinematics. In particular, the Hi map reveals that the two galaxies are clearly connected by a gas bridge, and the gas components of both LEDA 1915372 and MRK 0689 share a common direction of rotation. We also find that the Hi emission peak deviates from LEDA 1915372 toward its optical blue plume, suggesting a tidal origin of ongoing central star formation. Our findings provide a new path to the formation of blue-cored dEs.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

One- and two-qubit gate infidelities due to motional errors in trapped ions and electrons

In this work, we derive analytic formulas that determine the effect of error mechanisms on one- and two-qubit gates in trapped ions and electrons. First, we analyze and derive expressions for the effect of driving field inhomogeneities on one-qubit gate fidelities. Second, we derive expressions for two-qubit gate errors, including static motional frequency shifts, trap anharmonicities, field inhomogeneities, heating, and motional dephasing. We show that, for small errors, each of our expressions for infidelity converges to its respective numerical simulation; this shows that our formulas are sufficient for determining error budgets for high-fidelity gates, obviating numerical simulations in future projects. All of the derivations are general to any internal qubit state, and any mixed state of the ion crystal's motion that is diagonal in the Fock state basis. Our treatment of static motional frequency shifts, trap anharmonicities, heating, and motional dephasing apply to both laser-based and laser-free gates, while our treatment of field inhomogeneities applies to laser-free systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Laser-Produced Coherent X-ray Sources. Final report

This is the final report for the DOE-AMO DE-FG02-05ER15663 grant. Using a high-peak-power laser system at the Extreme Light Laboratory of the University of Nebraska-Lincoln, we develop novel femtosecond radiation sources and use them to investigate ultrafast photo-induced processes. Pulses of high energy electrons and x-rays are generated when an optical pulse is focused to ultra-high intensity. The radiation is used to probe the evolution of matter under highly non-equilibrium conditions with atomic-scale temporal and spatial resolution. Moreover, the facility is small enough to fit in a university laboratory and is operated by graduate students and postdocs.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2018

Atomic Oxygen Environments, Effects, and Mitigation

Atomic oxygen is the most predominant specie in low Earth orbit (LEO) and is contained in the upper atmosphere of many other planetary bodies. Formed by photo-dissociation of molecular oxygen, it is highly reactive and energetic enough to break chemical bonds on the surface of many materials and react with them to form either stable or volatile oxides. The extent of the damage for spacecraft depends a lot on how much atomic oxygen arrives at the surface, the energy of the atoms, the reactivity of the material that is exposed to it and other constituents in the atmosphere. Oxide formation can result in shrinkage, cracking, or erosion which can also result in changes in optical, thermal, or mechanical properties of the materials exposed. The extent of the reaction can be affected by mechanical loading, temperature, and other environmental components such as ultraviolet radiation or charged particles. Atomic oxygen generally causes a surface reaction, but it can scatter under coatings and into crevices causing oxidation much farther into a spacecraft surface or structure than would be expected. Atomic oxygen effects for LEO atomic oxygen compared to atomic oxygen effects in a Mars environment, effects atomic oxygen can have on typical spacecraft materials, and mitigation techniques will be presented.

Oxygen atoms↗
DOE OSTI2021

Light transport with weak angular dependence in fog

Random scattering and absorption of light by tiny particles in aerosols, like fog, reduce situational awareness and cause unacceptable down-time for critical systems or operations. Computationally efficient light transport models are desired for computational imaging to improve remote sensing capabilities in degraded optical environments. To this end, we have developed a model based on a weak angular dependence approximation to the Boltzmann or radiative transfer equation that appears to be applicable in both the moderate and highly scattering regimes, thereby covering the applicability domain of both the small angle and diffusion approximations. An analytic solution was derived and validated using experimental data acquired at the Sandia National Laboratory Fog Chamber facility. The evolution of the fog particle density and size distribution were measured and used to determine macroscopic absorption and scattering properties using Mie theory. A three-band (0.532, 1.55, and 9.68 µ m) transmissometer with lock-in amplifiers enabled changes in fog density of over an order of magnitude to be measured due to the increased transmission at higher wavelengths, covering both the moderate and highly scattering regimes. The meteorological optical range parameter is shown to be about 0.6 times the transport mean free path length, suggesting an improved physical interpretation of this parameter.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1985

The effect of a weak shock on interstellar gas toward the Rho Ophiuchi cloud

The effect of a low-velocity shock on depletion in interstellar clouds is studied. High-resolution Copernicus observations of interstellar absorption lines toward four stars in the Rho Ophiuchi cloud complex were used to measure differential depletion in interstellar clouds separated by velocities of 10-15 km/s. Optical observations of CH and CH(+) were used as indicators of shock strength and direction of propagation. Observations indicate the presence of a shock with velocity about 10 km/s expanding away from the sun into the Rho Oph cloud. The existence of this shock is supported by the other observations quoted in the literature. Two distinct regions in the lines of sight have been found. A low-density, less depleted, predominantly atomic region is associated with preshock gas, while postshock gas accounts for a predominantly molecular, more highly depleted region. Apparently a weak shock, has the effect of enhancing grain formation or grain growth as a result of increased density in the postshock gas. It is possible for grain growth by accretion to occur in the shocked gas on time scales short compared with the cloud-crossing time of the shock.

Meyers, K. A.↗
DOE OSTI2026

Structural, Electronic, and Photophysical Insights into a Few Atom Copper-Sulfur Cluster in the Solid and Solution States

Coinage-metal chalcogenide clusters are widely studied for their attractive photoluminescence properties. Copper chalcogenides are especially promising, but are often confined to solid-state investigations due to their limited solution stability and the difficulty of synthesizing stable, well-defined clusters. Here, we investigate copper–sulfur clusters incorporating a small number of Cu atoms to elucidate fundamental atomic interactions, ground- and excited-state characteristics, and photophysical behavior in both solid and solution. We have synthesized the Cu6(4,6-dimethyl-2-mercaptopyrimidine)6 cluster in both neutral and charged states, Cu6 and Cu6-2H2+, respectively, by selective ligand protonation. The molecular structures are determined using single-crystal X-ray diffraction, while Cu K-edge X-ray absorption spectroscopy is used to probe Cu electronic structure differences arising from the ligand modification. Steady-state and pump-probe optical spectroscopy is used to investigate photophysical properties, interpreted using density functional theory methods. Both clusters exhibit good stability in the solid state and in solution and show characteristic near-infrared emission with microsecond lifetimes. Overall, the Cu6S6 clusters display favorable charge–transfer characteristics and show potential for further use in driving photochemical transformations.

Copper-sulfur clusters↗
NASA NTRS1997

In Situ identification of mineral resources with an X-ray-optical "Hand-Lens" instrument

The recognition of material resources on a planetary surface requires exploration strategies not dissimilar to those employed by early field geologists who searched for ore deposits primarily from surface clues. In order to determine the location of mineral ores or other materials, it will be necessary to characterize host terranes at regional or subregional scales. This requires geographically broad surveys in which statistically significant numbers of samples are rapidly scanned from a roving platform. To enable broad-scale, yet power-conservative planetary-surface exploration, we are developing an instrument that combines x-ray diffractometry (XRD), x-ray fluorescence spectrometry (XRF), and optical capabilities; the instrument can be deployed at the end of a rover's robotic arm, without the need for sample capture or preparation. The instrument provides XRD data for identification of mineral species and lithological types; diffractometry of minerals is conducted by ascertaining the characteristic lattice parameters or "d-spacings" of mineral compounds. D-spacings of 1.4 to 25 angstroms can be determined to include the large molecular structures of hydrated minerals such as clays. The XRF data will identify elements ranging from carbon (Atomic Number = 6) to elements as heavy as barium (Atomic Number = 56).

Marshall, J.↗
DOE OSTI2023

Decoding the Atomic Structure of Ga 2 Te 5 Pulsed Laser Deposition Films for Memory Applications Using Diffraction and First-Principles Simulations

Neuromorphic computing, reconfigurable optical metamaterials that are operational over a wide spectral range, holographic and nonvolatile displays of extremely high resolution, integrated smart photonics, and many other applications need next-generation phase-change materials (PCMs) with better energy efficiency and wider temperature and spectral ranges to increase reliability compared to current flagship PCMs, such as Ge 2 Sb 2 Te 5 or doped Sb 2 Te. Gallium tellurides are favorable compounds to achieve the necessary requirements because of their higher melting and crystallization temperatures, combined with low switching power and fast switching rate. Ga 2 Te 3 and non-stoichiometric alloys appear to be atypical PCMs; they are characterized by regular tetrahedral structures and the absence of metavalent bonding. The sp 3 gallium hybridization in cubic and amorphous Ga 2 Te 3 is also different from conventional p-bonding in flagship PCMs, raising questions about its phase-change mechanism. Furthermore, gallium tellurides exhibit a number of unexpected and highly unusual phenomena, such as nanotectonic compression and viscosity anomalies just above their melting points. Using high-energy X-ray diffraction, supported by first-principles simulations, we will elucidate the atomic structure of amorphous Ga 2 Te 5 PLD films, compare it with the crystal structure of tetragonal gallium pentatelluride, and investigate the electrical, optical, and thermal properties of these two materials to assess their potential for memory applications, among others.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Refined Telluric Absorption Correction for Low-resolution Ground-based Spectroscopy: Resolution and Radial Velocity Effects in the O{sub 2}A-band for Exoplanets and K i Emission Lines

Telluric correction of spectroscopic observations is either performed via standard stars that are observed close in time and airmass along with the science target, or recently growing in importance, by theoretical telluric absorption modeling. Both approaches work fine when the telluric lines are resolved, i.e., at a spectral resolving power larger than about 10,000, and it is sufficient to facilitate the detection of spectral features at lower resolution. However, a meaningful quantitative analysis also requires the reliable recovery of line strengths. Here, we show for the Fraunhofer A-band of molecular O{sub 2} that the standard telluric correction approach fails in this at lower spectral resolutions, as an example for the general problem. Doppler-shift-dependent errors of the restored flux may arise, which can amount to more than 50% in extreme cases, depending on the line shapes of the target spectral features. Two applications are discussed: the recovery of the O{sub 2} band in the reflected light of an Earth analog atmosphere, as facilitated potentially in the future using an orbiting starshade and a ground-based extremely large telescope; and the recovery of the intrinsic ratio of the K i lines in the post-nova V4332 Sgr tracing the optical depth of the emitting region, to exemplify the relevance using present-day instrumentation. We show how one should derive correction functions for the compensation of the error in dependence of radial velocity shift, spectral resolution, and target line-profile function by use of high-resolution atmospheric transmission modeling, which has to be solved for the individual case.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Insight into the Structural and Emissive Behavior of a Three‐Dimensional Americium(III) Formate Coordination Polymer

Abstract We report the structural, vibrational, and optical properties of americium formate (Am(CHO 2 ) 3 ) crystals synthesized via the in situ hydrolysis of dimethylformamide (DMF). The coordination polymer features Am 3+ ions linked by formate ligands into a three‐dimensional network that is isomorphous to several lanthanide analogs, (e. g., Eu 3+ , Nd 3+ , Tb 3+ ). Structure determination revealed a nine‐coordinate Am 3+ metal center that features a unique local C 3v symmetry. The metal–ligand bonding interactions were investigated by vibrational spectroscopy, natural localized molecular orbital calculations, and the quantum theory of atoms in molecules. The results paint a predominantly ionic bond picture and suggest the metal‐oxygen bonds increase in strength from Nd−O 5 D 1′ → 7 F 0′ emission band is observed and dominates the emission spectrum. This behavior is unusual and is attributed to the C 3v coordination environment of the metal center.

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

Gas and dust in the Ophiuchus region

The interstellar gas and dust in the Ophiuchus molecular cloud region are studied through H I, CO, and IRAS observations. The generally good global correlation of H I with the infrared intensity and dust optical depth breaks down on the smaller scales that can be distinguished in this nearby region. The presence of an intense ultraviolet field and shocks caused by the early-type stars can account for this difference. Integrated emission from the CO molecule correlates with the dust optical depth. This correlation is used to derive the conversion factor between W(CO) and the atomic hydrogen column density. The region close to the early-type stars in Upper Scorpius shows a considerable amount of infrared emission, but negligible CO emission.

De Geus, E. J.↗
NASA NTRS2002

Durability of Solar Selective Coatings in a Simulated Space Environment

Solar selective coatings are being considered for heat engine and thermal switching applications on minisatellites. Such coatings must have the combined properties of high solar absorptance and low infrared emittance. High solar absorptance is needed to collect solar energy as efficiently as possible while low infrared emittance is needed to minimize radiant energy loss at operating temperature. These properties are achieved in sputter deposited thin films through the use of molecular mixtures of metal and dielectric. Solar selective coatings having a solar absorptance to infrared emittance ratio of 9 have been successfully deposited using a mixture of nickel and aluminum oxide. The space environment, however, presents some challenges for the use of materials on the exterior of spacecraft, including durability to atomic oxygen and vacuum ultraviolet radiation. To address these concerns, several candidate solar selective coatings were exposed to atomic oxygen in a plasma asher and to ultraviolet radiation in a vacuum facility equipped with calibrated deuterium lamps. The optical properties of the coatings were monitored as a function of time to evaluate their performance over long term exposure to the simulated space environment. Several coatings were found to be durable to both the atomic oxygen and the vacuum ultraviolet environments.

Jaworske, Donald A.↗