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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Analysis strategy for ultrafast X-ray photon correlation spectroscopy

We explain an analysis strategy for ultrafast X-ray photon correlation spectroscopy, a technique enabled by X-ray free electron lasers to probe nano- and atomic-scale dynamics in complex systems on nanosecond timescales or faster. Central to the technique is the methodology for extracting contrast in coherent X-ray diffraction patterns, known as speckle patterns. Guided by simulations, we analyze common challenges and examine errors encountered in contrast extraction. A method for accurately determining contrast amid shot noise across a wide range of count rates is presented.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Integrating Chemical Catalysis and Biological Conversion of Carbon Intermediates for Deriving Value-Added Products from Carbon Dioxide

Carbon dioxide valorization represents an appealing approach to reducing greenhouse gases in the atmosphere. While electrocatalysis is an effective tool to reduce CO 2 into small carbon compounds, it becomes increasingly challenging to efficiently produce compounds with more carbon atoms. In contrast, while biological systems struggle to utilize CO 2 , they can readily upcycle other small carbon compounds. This project explores the use of a two-stage process that electrocatalytically converts CO 2 into methanol, formate, or acetate which is subsequently utilized by Methylotuvimicrobium alcaliphilum 20Z to produce medium chain length polyhydroxyalkanoate. A techno-economic analysis and life cycle assessment evaluates the commercial viability of the process as well as its carbon emissions. We show here an enhanced CO 2 -to-methanol electroconversion step coupled with the use of a microbial culture adapted to the process conditions to be the optimal configuration for economic potential.

09 BIOMASS FUELS↗
DOE OSTI2020

Thermodynamics of Uranium Tri-Iodide from Density-Functional Theory

Density-functional theory (DFT) is employed to investigate the thermodynamic and ground-state properties of bulk uranium tri-iodide, UI3. The theory is fully relativistic and electron correlations, beyond the DFT and generalized gradient approximation, are addressed with orbital polarization. The electronic structure indicates anti-ferromagnetism, in agreement with neutron diffraction, with band gaps and a non-metallic system. Furthermore, the formation energy, atomic volume, crystal structure, and heat capacity are calculated in reasonable agreement with experiments, whereas for the elastic constants experimental data are unavailable for comparison. The thermodynamical properties are modeled within a quasi-harmonic approximation and the heat capacity and Gibbs free energy as functions of temperature agree with available calculation of phase diagram (CALPHAD) thermodynamic assessment of the experimental data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1974

Apollo 17 ultraviolet spectrometer experiment (S-169)

The scientific objectives of the ultraviolet spectrometer experiment are discussed, along with design and operational details, instrument preparation and performance, and scientific results. Information gained from the experiment is given concerning the lunar atmosphere and albedo, zodiacal light, astronomical observations, spacecraft environment, and the distribution of atomic hydrogen in the solar system and in the earth's atmosphere.

Fastie, W. G.↗
NASA NTRS1980

A new semiclassical decoupling scheme for electronic transitions in molecular collisions - Application to vibrational-to-electronic energy transfer

A new semiclassical decoupling scheme (the trajectory-based decoupling scheme) is introduced in a computational study of vibrational-to-electronic energy transfer for a simple model system that simulates collinear atom-diatom collisions. The probability of energy transfer (P) is calculated quasiclassically using the new scheme as well as quantum mechanically as a function of the atomic electronic-energy separation (lambda), with overall good agreement between the two sets of results. Classical mechanics with the new decoupling scheme is found to be capable of predicting resonance behavior whereas an earlier decoupling scheme (the coordinate-based decoupling scheme) failed. Interference effects are not exhibited in P vs lambda results.

Lee, H.-W.↗
NASA NTRS1980

Proposed method for degassing metals for extreme low pressures

Metal outgassing currently limits the pressures attained in vacuum chambers. The dominant residual gas in a carefully degassed metal system is usually hydrogen. The atomic hydrogen within bulk metals could be removed by diffusion processes if surface effects did not interfere. It is proposed that removing the surface hydrogen during vacuum bakeout by continuous electron bombardment (or similar irradiation) would allow the diffusion to proceed and lead to lower outgassing rates and operating pressures.

Moore, B. C.↗
NASA NTRS1982

Precise time dissemination via portable atomic clocks

The most precise operational method of time dissemination over long distances presently available to the Precise Time and Time Interval (PTTI) community of users is by means of portable atomic clocks. The Global Positioning System (GPS), the latest system showing promise of replacing portable clocks for global PTTI dissemination, was evaluated. Although GPS has the technical capability of providing superior world-wide dissemination, the question of present cost and future accessibility may require a continued reliance on portable clocks for a number of years. For these reasons a study of portable clock operations as they are carried out today was made. The portable clock system that was utilized by the U.S. Naval Observatory (NAVOBSY) in the global synchronization of clocks over the past 17 years is described and the concepts on which it is based are explained. Some of its capabilities and limitations are also discussed.

Putkovich, K.↗
NASA NTRS1984

A measurement of the vibrational band strength for the v3 band of the HO2 radical

Laboratory measurements of the v(3) band strength of HO2 using a tunable diode laser to measure the absorption strength of a vibration-rotation line in the P branch near 1080/cm are reported. The HO2 is generated in a discharge-flow system by reaction of fluorine atoms with excess H2O2: F + H2O2 - HO2 + HF. The HO2 concentration is determined from measurements of F-atom concentrations using both chemical titration with Cl2 and tunable diode laser absorption by the F-atom spin-orbit transition near 404/cm. The experimental data are consistent with a value of k(3) = (1.6 + or - 0.3) x 10 to the 12th cu cm/s and a ratio k(4)/k(1) = 1.0 + or - 0.4. The line strength for the 6(15) - 7(16)F(1) transition is 2.9 x 10 to the -21 sq cm/molecule/cm, which corresponds to a v(3) band strength of 35 + or - 9/sq cm/(STP atm). This value is a factor of 1.6 to 6 lower than previous ab initio calculations.

Zahniser, M. S.↗
NASA NTRS1986

High intensity 5 eV O-atom exposure facility for material degradation studies

An atomic oxygen exposure facility was developed for studies of material degradation. The goal of these studies is to provide design criteria and information for the manufacture of long life (20 to 30 years) construction materials for use in low Earth orbit. The studies that are being undertaken will provide: (1) absolute reaction cross sections for the engineering design problems, (2) formulations of reaction mechanisms for use in the selection of suitable existing materials and the design of new more resistant ones, and (3) the calibration of flight hardware (mass spectrometers, etc.) in order to directly relate experiments performed in low Earth orbit to ground based investigations. The facility consists of a CW laser sustained discharge source of O-atoms, an atomic beam formation and diagnostics system, a spinning rotor viscometer, and provision for using the system for calibration of actual flight instruments.

Cross, J. B.↗
NASA NTRS1995

Studies of the gas tori of Titan and Triton

Progress in the development of the model for the circumplanetary distribution of atomic hydrogen in the Saturn system produced by a Titan source is discussed. Because of the action of the solar radiation acceleration and the obliquity of Saturn, the hydrogen distribution is shown to undergo seasonal changes as the planet moves about the Sun. Preliminary model calculations show that for a continuous Titan source, the H distribution is highly asymmetric about the planet and has a density maximum near the dusk side of Saturn, qualitatively similar to the pattern recently deduced by Shemansky and Hall from observations acquired by the UVS instruments aboard the Voyager spacecrafts. The investigation of these Voyager data will be undertaken in the next project year.

Smyth, William H.↗
NASA NTRS1995

Evaluation of adhesive materials used on the Long Duration Exposure Facility

The adhesive and adhesive-like materials flown on LDEF included epoxies and silicones (including lap shear specimens), conformal coatings, potting compounds, and several tapes and transfer films. With the exception of the lap shear specimens, these materials were used in the fabrication and assembly of the experiments such as bonding thermal control surfaces to other hardware and holding individual specimens in place, similar to applications on other spacecraft. Typically, the adhesives were not exposed to solar radiation or atomic oxygen. Only one adhesive system was used in a structural application. This report documents all results of the Materials and Systems SIG investigation into the effect of long term low Earth orbit (LEO) exposure of these materials. Results of this investigation show that if the material was shielded from exposure to LDEF's external environment, the 69 month exposure to LEO had, in most cases, minimal effect on the material.

Dursch, H. W.↗
NASA NTRS1993

Faraday anomalous dispersion optical filters

The effect of Faraday anomalous dispersion optical filters on infrared and blue transitions of some alkali atoms is calculated. A composite system is designed to further increase the background noise rejection. The measured results of the solar background rejection and image quality through the filter are presented. The results show that the filter may provide high transmission and high background noise rejection with excellent image quality.

Shay, T. M.↗
NASA NTRS1993

Solar-Driven Neutral Density Waves

Interstellar neutral hydrogen atoms flowing into the solar system are attracted by the solar gravitational force, repelled by solar hydrogen Ly-alpha radiation pressure, and are ionized, primarily, through charge exchange with the solar wind protons. The solar cycle variation of the radiation pressure causes the net central solar force to fluctuate between attraction and repulsion resulting in the modulation of the neutral hydrogen density about the usual time independent model. The calculation presented here shows that the time dependent downstream density is strongly modulated by a large number of travelling neutral density waves. The waves possess a continuous range of wavelengths as is to be expected for a Maxwellian gas subjected to several eleven year cycle variations during its journey through the solar system. The amplitudes of the density modulation were found to be quite large. The backscattered glow was found to depend on the position of the detector and the phase of the solar cycle. At the most favorable condition a deviation of the order of 25% from the time dependent glow might be observed.

Blum, P.↗
NASA NTRS1994

A Comparison of Density Functional Theory with Ab initio Approaches for Systems Involving First Transition Row Metals

Density functional theory (DFT) is found to give a better description of the geometries and vibrational frequencies of FeL and FeL(sup +) systems than second order Moller Plesset perturbation theory (MP2). Namely, the DFT correctly predicts the shift in the CO vibrational frequency between free CO and the Sigma(sup -) state of FeCO and yields a good result for the Fe-C distance in the quartet states of FeCH4(+) 4 These are properties where the MP2 results are unsatisfactory. Thus DFT appears to be an excellent approach for optimizing the geometries and computing the zero-point energies of systems containing first transition row atoms. Because the DFT approach is biased in favor of the 3d(exp 7) occupation, whereas the more traditional approaches are biased in favor of the 3d(exp 6) occupation, differences are found in the relative ordering of states. It is shown that if the dissociation is computed to the most appropriate atomic asymptote and corrected to the ground state asymptote using the experimental separations, the DFT results are in good agreement with high levels of theory. The energetics at the DFT level are much superior to the MP2 and in most cases in good agreement with high levels of theory.

Ricca, Alessandra↗
NASA NTRS1994

Energy- and Structure-Related Properties for the (100) Surface of Beta-SiC

Calculations were carried out to investigate energy- and structure-related properties for the (100) surfaces of beta-SiC. Investigations for both C- and Si-terminated planes include (1 x 1), (2 x 1) and c(2 x 2) surface phases. All calculations were performed employing the empirical Tersoff function developed for SiC systems. This function has been used on several occasions, with varying sets of parameters to calculate properties for systems containing Si and C atoms. Here a comparative study was conducted. Results obtained from different sets of parameters were compared with respect to each other and also with values from the literature. Suitabilities and limitations of each parameter set were delineated.

Halicioglu, Timur↗
NASA NTRS2002

Slow Light in Coupled Resonator Optical Waveguides

Recently, we discovered that a splitting of the whispering gallery modes (WGMs) occurs in coupled resonator optical waveguides (CROWs), and that these split modes are of a higher Q than the single-resonator modes, leading to enormous circulating intensity magnification factors that dramatically reduce thresholds for nonlinear optical (NLO) processes. As a result of the enhancements in Q, pulses propagating at a split resonance can propagate much slower (faster) for over (under)-coupled structures, due to the modified dispersion near the split resonance. Moreover, when loss is considered, the mode-splitting may be thought of as analogous to the Autler-Townes splitting that occurs in atomic three-level lambda systems, i.e., it gives rise to induced transparency as a result of destructive interference. In under- or over-coupled CROWs, this coupled resonator induced transparency (CRIT) allows slow light to be achieved at the single-ring resonance with no absorption, while maintaining intensities such that NLO effects are maximized. The intensity magnification of the circulating fields and phase transfer characteristics are examined in detail.

Chang, Hongrok↗
NASA NTRS2003

Sulfur Oxidation and Contrail Precursor Chemistry

Sulfuric acid (H2SO4), formed in commercial aircraft operations via fuel-S (goes to) SO2 (goes to) SO3 (goes to) H2SO4 plays an important role in the formation of contrails. It is believed that the first step occurs inside the combustor, the second step in the engine exit nozzle, and the third step in the exhaust plume. Thus, measurements of the sulfur oxidation rates are critical to the understanding of contrail formation. Field measurements of contrails formed behind commercial aircraft indicate that significantly greater conversion of fuel-bound sulfur to sulfate aerosol occurs than can be explained by our current knowledge of contrail physics and chemistry. The conversion of sulfur from S(IV) to S(VI) oxidation state, required for sulfate aerosol formation, is thermodynamically favored for the conditions that exist within jet engines but is kinetically disfavored. The principal reaction pathway is O+SO2+M (goes to) SO3+M. The rates of this reaction have never been measured in the temperature and pressure regimes available to aircraft operation. In the first year (FY02) of this project, we performed a series of experiments to elucidate the rate information for the O+SO2+M (goes to) SO3+M reaction. The work performed is described following the proposed work plan. Because we used the H2/O2 system for an O-atom source and rate coefficients were obtained via computer simulation, construction of a reaction mechanism and either recalculation or estimation of thermodynamic properties of H(x)SO(y) species are described first.

DeWitt, Kenneth J.↗