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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Photochemical Ligand-Based CO 2 Reduction Mediated by Ruthenium Formyl Species

Here, a new, ligand-based strategy for CO 2 reduction to formate has been demonstrated. This approach relies on the photochemical generation of a coordinatively saturated transient ruthenium metalloformyl species, Ru-CHO, capable of reducing CO 2 to free formate directly. Under this paradigm, a highly reactive radical cation which is capable of facile formal hydrogen atom transfer (HAT) is generated via reductive quenching of an excited-state photosensitizer. Sequential electron transfer (ET) and HAT steps to a ruthenium carbonyl complex subsequently yield the Ru-CHO species, which upon further reduction undergoes fast hydride transfer to CO 2 , producing free formate. High formate selectivity (up to 98%) and impressive catalytic performance (TON ~5300; TOF ~0.1 s -1 ) was observed. Detailed mechanistic studies revealed that the overall process is highly sensitive to the identity of the radical cation, with divergent reactivity observed when HAT thermodynamics are altered. These findings provide new insights into ligand-based hydride transfer mechanisms and establish a foundation for the rational design of selective CO 2 reduction catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Hardening in Au-Ag nanoboxes from stacking fault-dislocation interactions

Porous, nano-architected metals with dimensions down to ~10 nm are predicted to have extraordinarily high strength and stiffness per weight, but have been challenging to fabricate and test experimentally. Here, we use colloidal synthesis to make ~140 nm length and ~15 nm wall thickness hollow Au-Ag nanoboxes with smooth and rough surfaces. In situ scanning electron microscope and transmission electron microscope testing of the smooth and rough nanoboxes show them to yield at 130 ± 45 MPa and 96 ± 31 MPa respectively, with significant strain hardening. A higher strain hardening rate is seen in rough nanoboxes than smooth nanoboxes. Finite element modeling is used to show that the structure of the nanoboxes is not responsible for the hardening behavior suggesting that material mechanisms are the source of observed hardening. Molecular dynamics simulations indicate that hardening is a result of interactions between dislocations and the associated increase in dislocation density.

42 ENGINEERING↗
DOE OSTI2020

Singlet fission in core-linked terrylenediimide dimers

We have studied two regioisomeric terrylenediimide (TDI) dimers in which the 1-positions of two TDIs are linked via 1,3- or 1,4-phenylene spacers, mTDI 2 and pTDI, respectively. The nature and the dynamics of the multiexciton state are tuned by altering the through-bond electronic couplings in the ground and excited states and by changing the solvent environment. Our results show that controlling the electronic coupling between the two chromophores by an appropriate choice of linker can result in independent triplet state formation, even though the initial correlated triplet pair state is confined to a dimer. Moreover, even in polar solvents, if the electronic coupling is strong, the correlated triplet pair state is observed prior to symmetry-breaking charge separation. These results point out the close relationship between the singlet, correlated triplet pair, and charge transfer states in molecular dimers.

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

Spectral and polarization based imaging in deep-ultraviolet excited photoelectron microscopy

Using photoelectron emission microscopy, nanoscale spectral imaging of atomically thin MoS2 buried between Al2O3 and SiO2 is achieved by monitoring the wavelength and polarization dependence of the photoelectron signal excited by deep-ultraviolet light. Although photons induce the photoemission, images can exhibit resolutions below the photon wavelength as electrons sense the response. To validate this concept, the dependence of photoemission yield on the wavelength and polarization of the exciting light was first measured and then compared to simulations of the optical response quantified with classical optical theory. A close correlation between experiment and theory indicates that photoemission probes the optical interaction of UV-light with the material stack directly. The utility of this probe is then demonstrated when both the spectral and polarization dependence of photoemission observe spatial variation consistent with grains and defects in buried MoS2. Taken together, these new modalities of photoelectron microscopy allow mapping of optical property variation at length scales unobtainable with conventional light-based microscopy.

Beechem, Thomas E. (ORCID:0000000275360719)↗
DOE OSTI2025

First JSNS 2 measurement of the electron neutrino flux using the 12 C⁡(𝜈 𝑒 ,𝑒 − )⁢ 12 N g.s. reaction

JSNS2 (J-PARC Sterile Neutrino Search at J-PARC Spallation Neutron Source) is an experiment searching for sterile neutrinos through the observation of ν¯μ→ν¯e appearance oscillations, using neutrinos produced by muon decay-at-rest. A key aspect of the experiment involves accurately understanding the neutrino flux and the quantities of pions and muons, which are progenitors of (anti)neutrinos, given that their production rates have yet to be measured. We present the first electron-neutrino flux measurement using C12(νe,e−)12Ng.s. reaction in JSNS2, yielding a flux of (6.7±1.6(stat)±1.7(syst))×10−9 cm−2 proton−1 at the JSNS2 detector location, located at 24 meters distance from the mercury target. This flux measurement is consistent with predictions from simulations based on hadron models.

Particle decays↗
DOE OSTI2025

SULI Intern Final Report: Computationally Investigating Hydrogen Thermo-Diffusion in Yttrium Hydride Using Multiscale Methods

The renaissance of nuclear energy has arrived, heralding an age of abundant inexpensive clean energy, and renewed space exploration. In nuclear-powered spacecraft and microreactors, safety and size are of utmost importance. Yttrium Hydride (YHx) is being researched for its utility as a neutron moderator in nuclear reactors; the hydrogen in YHx slows down neutrons, enabling a continuous nuclear reaction in the reactor. This has the benefit of allowing reactors to be more safe, compact, and efficient. The goal of this effort is to computationally predict the coefficient of temperature-dependent hydrogen diffusion within YHx, the Soret coefficient. This parameter is essential for determining the safe operating modes of YHx moderators. Zirconium Hydride (ZrHx) is used in the Training, Research, Isotopes, General Atomics (TRIGA) reactor, is the reference material for these calculations. In this work, nanoscale atomic modeling in the Vienna Ab initio Simulation Package (VASP) is combined with the mesoscale finite element phase-field module in the Multiphysics Object-Oriented Simulation Environment (MOOSE); this culminates in a new multiscale computational method to simulate Soret diffusion of hydrogen in YHx. This data is useful for predicting experimental outcomes. This workflow involves convergence testing followed by static, Nudged Elastic Band (NEB), Quasi-Harmonic Approximation (QHA), and Molecular Dynamics (MD) calculations - linked with phase field simulation. NEB simulates hydrogen migration, while QHA and MD predict temperature-dependent properties. The static calculations align with literature, and preliminary NEB and QHA calculations yield accurate results. Once the atomic calculations are complete, we will incorporate Electron Backscatter Diffraction (EBSD) images and VASP-generated parameters into the phase field module to simulate intra- and intergranular transport of hydrogen in ZrHx and YHx. Future research will extend our approach to fuel-moderator materials systems such as Uranium-Yttrium Hydride (U-YHx). This work contributes to the development of advanced nuclear energy solutions for space travel.

36 - MATERIALS SCIENCE↗
DOE OSTI2022

The Synchrotron Low-energy Spectrum Arising from the Cooling of Electrons in Gamma-Ray Bursts

This work is a continuation of a previous effort (Panaitescu) to study the cooling of relativistic electrons through radiation (synchrotron and self-Compton) emission and adiabatic losses, with application to the spectra and light curves of the synchrotron gamma-ray burst (GRB) produced by such cooling electrons. Here, we derive the low-energy slope β LE of a GRB pulse-integrated spectrum and quantify the implications of the measured distribution of β LE . Radiative processes that produce soft integrated spectra can accommodate the harder slopes measured by CGRO/BATSE and Fermi/GBM only if the magnetic field lifetime t B is shorter than the time during which the typical GRB electrons cool to radiate below 1–10 keV, which is less than (at most) 10 radiative cooling timescales t rad of the typical GRB electron. In this case, there is a one-to-one correspondence between t B and β LE . To account for low-energy slopes β LE > -3/4, the adiabatic electron-cooling requires a similar restriction on t B . In this case, the diversity of slopes arises mostly from how the electron-injection rate varies with time (temporal power-law injection rates yield power-law low-energy GRB spectra) and not from the magnetic field timescale.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1976

Tabulation of hybrid theory calculated e-N2 vibrational and rotational cross sections

Vibrational excitation cross sections of N2 by electron impact are tabulated. Integrated cross sections are given for transitions v yields v prime where o=or v=or 8 in the energy range 0.1 eV=or E=or 10 eV. The energy grid is chosen to be most dense in the resonance region (2 to 4 eV) so that the substructure is present in the numerical results. Coefficients in the angular distribution formula (differential scattering cross section) for transitions v=0 yields v prime = or 8 are also numerically given over the same grid of energies. Simultaneous rotation-vibration coefficients are also given for transitions v=o,j=o; 1 yields v prime=o, j=o,2,4; 1,3,5. All results are obtained from the hybrid theory.

Chandra, N.↗
NASA NTRS1977

Morphology and physical parameters of a solar flare

The chromospheric and coronal morphology of the flare of June 15, 1973, (1B/M3) in NOAA active region 131 (McMath 12379) is discussed, and results of quantitative analysis of Skylab soft X-ray observations of the event are presented. H-alpha and white-light observations reveal evidence of emerging flux near the site of the H-alpha flare onset. Preflare and early flare filament activity and its spatial and temporal correlation with the flare are discussed. Spatially resolved soft X-rays are compared with H-alpha and magnetic-field measurements. Full-disk high-temporal-resolution soft X-ray flux measurements and time profiles of the resultant temperature and density calculations are also presented which yield a peak temperature of about 14.2 million K and a peak electron density of approximately 3.5 deg 10 to the -10th power per cu cm and show a preflash-phase temperature rise to about 9 million K. The peak values should be compared with the respective values of approximately 25 million K and 4.5 by 10 to the -10th power per cu cm deduced from the spatially resolved data.

Smith, J. B., Jr.↗
NASA NTRS1979

Upper limits on production rate of NO per ion pair

The maximum production rate of NO per ion pair during a solar proton event has been calculated using an approach described by Porter et al. (1976). For altitudes between 80 and 120 km the calculation yields a limit of 2.68 NO per ion pair for 10 keV electrons, a value which is consistent with the rates implied by the measurements of Arnold (1978) as quoted by Fabian et al. (1979). For altitudes below 80 km the maximum rate of NO production is calculated to be 1.46 to 1.53 NO per ion pair.

Jackman, C. H.↗
NASA NTRS1980

The Pioneer Venus Orbiter plasma wave investigation

The Pioneer Venus plasma wave instrument has a self-contained balanced electric dipole (effective length = 0.75 m) and a 4-channel spectrum analyzer (30% bandwidth filters with center frequencies at 100 Hz, 730 Hz, and 30 kHz). The channels are continuously active and the highest Orbiter telemetry rate (2048 bits/sec) yields 4 spectral scans/sec. The total mass of 0.55 kg includes the electronics, the antenna, and the antenna deployment mechanism. This report contains a brief description of the instrument design and a discussion of the in-flight performance.

Scarf, F. L.↗
NASA NTRS1984

Models of auroral-zone conductances

The magnetosphere-ionosphere system is strongly coupled, with magnetospheric Birkeland currents feeding ionospheric Pedersen and Hall currents. Central to any computer simulation of this system is a detailed, valid conductivity model. An accurate conductivity model is also vital in order to infer Birkeland currents and electric field patterns from inversions of magnetometer chain data. Several recent attempts at constructing conductivity models are presented and their strengths and weaknesses discussed. Incoherent scatter radar measurements can determine height profiles of electron content, from which Pedersen and Hall conductances may be calculated. These yield excellent spatial and good temporal resolution; however, they are limited in field of view. A global pattern requires either 24 hours of data or a chain of stations. Synoptic empirical models (quantized by indices such as Kp or AE) typically are limited by their large bin size (1 deg invariant latitude x 1 hour MLT), and cannot reproduce arcs. Estimating conductivity globally from Dynamics Explorer auroral images is promising, and can yield reasonable time scales (of about 10 minutes); however, this procedure is still only now being tested.

Reiff, P. H.↗
NASA NTRS1985

The San Fernando Observatory video Stokes polarimeter

A study was conducted to determine the suitability of the San Fernando Observatory's 61 cm (24 inch) aperture vacuum solar telescope and 3 m (118 inch) focal length vacuum spectroheliograph for Stokes Polarimetry measurements. The polarization characteristics of these two instruments was measured by determining their Mueller matrices as a function of telescope orientation, field angle, wavelength, grating type, and position of the measuring beam in the telescope entrance window. In general, the polarizing and depolarizing properties are small so that inversion of the system Mueller matrix will permit the accurate measurement of Stokes profiles for vector magnetic field determination. A proposed polarimeter design based on the use of a TV camera system to simultaneously scan six different polarization components of a given line profile is described. This design, which uses no rotating optics or electronic modulators and makes efficient use of the available irradiance, promises to yield high quality vector magnetograms.

Richter, P. H.↗
NASA NTRS1986

In situ measurements of the plasma bulk velocity near the Io flux tube

Data obtained with the Voyager Plasma Science Experiment (PSE) during a flyby of the Jovian moon Io are analyzed to quantify the bulk plasma parameters near the Io flux tube. The PSE contains four modulated grid Faraday cups, three pentagonally shaped and the other circular. The path of the spacecraft around Jupiter and past Io ensured that the maximum flux was passing perpendicular to the spacecraft instruments when Voyager was closest to Io (20,000 km). A total of 11 high resolution (M mode) plasma spectra were obtained, revealing 6 species of ions: H(+), O(+), O(2+), S(+), S(2+) and S(3+). All species had the same bulk velocity and convected maxwellian distributions; the heavy ions species were all the same temperature. The mass density of the plasma near Io was 20,000-25,000 amu/cu cm and the electron density was 1300-1700/cu cm. Calculations of the Alfven speed yielded a value ranging from 250-350 km/sec and an Alfven Mach no. of 0.17-0.21. The data were equivalent to that expected from the flow of an incompressible fluid around a long cylinder with a radius about 1.25 that of Io's.

Barnett, A.↗
NASA NTRS1990

Optical information processing for NASA's space exploration

The development status of optical processing techniques under development at NASA-JPL, NASA-Ames, and NASA-Johnson, is evaluated with a view to their potential applications in future NASA planetary exploration missions. It is projected that such optical processing systems can yield major reductions in mass, volume, and power requirements relative to exclusively electronic systems of comparable processing capabilities. Attention is given to high-order neural networks for distortion-invariant classification and pattern recognition, multispectral imaging using an acoustooptic tunable filter, and an optical matrix processor for control problems.

Chao, Tien-Hsin↗
NASA NTRS1991

Photoabsorption and photoionization cross sections of NH3, PH3, H2S, C2H2, and C2H4 in the VUV region

Using synchrotron radiation as a continuum light source, the photoabsorption and photoionization cross sections of NH3, PH3, H2S, C2H2, and C2H4 have been measured from their respective ionization thresholds to 1060 A. The vibrational constants associated with the nu(2) totally symmetric, out-of-plane bending vibration of the ground electronic state of PH3(+) have been obtained. The cross sections and quantum yields for producing neutral products through photoexcitation of these molecules in the given spectral regions have also been determined. In the present work, autoionization processes were found to be less important than dissociation and predissociation processes in NH3, PH3, and C2H4. Several experimental techniques have been employed in order to examine the various possible systematic errors critically.

Xia, T. J.↗
NASA NTRS1991

Chassigny petrogenesis - Melt compositions, intensive parameters, and water contents of Martian (?) magmas

This paper considers petrogenesis of SNC meteorites by examining partially crystallized melt inclusions in cumulus olivine grains in Chassigny meteorite. First, all phases in the Chassigny inclusions were analyzed by electron microprobe, followed by an experimental investigation of the kaersutite/melt equilibria. Results yield the intensive parameters which stabilize igneous kaersutite and the melt compositions that coexist with kaersutite. The results are used to model Chassigny petrogenesis. It is argued that the existence in the Chassigny of hydrous melts and the conditions appropriate for amphibole crystallization suggest the existence on the Chassigny parent body (Mars) of SiO2-rich lavas.

Johnson, Marie C.↗