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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Determining the composition of olivine on asteroidal surfaces

Olivine was remotely identified as a major component on many S- and A-type asteroids based on qualitative analyses of broad absorption features near 1.0 micron in their telescopic reflectance spectra. Laboratory studies showed that this diagnostic olivine absorption feature is composed of three individual absorption bands resulting from electronic transitions of Fe(+2) in distorted M1 and M2 sites. Both the overall absorption feature and each of the individual absorption bands are also known to vary systematically as a function of olivine composition. Thus, it should be possible to remotely determine the composition of olivine present on the surfaces of the various olivine-rich asteroids. However, extrapolation of laboratory studies to compositional interpretation of asteroid spectra is complicated by several factors: observational noise; lower spectral resolution; compositional heterogeneities (including the presence of other phases such as pyroxenes and/or metal); and the effects of alteration processes. In order to address such complex problems, a quantitative approach to spectral analysis, the modified Gaussian model (MGM) was developed by Sunshine et al., which deconvolves spectra into their constituent absorption bands. The MGM, a refinement of the Gaussian model, more accurately adheres to the physical processes involved in electronic transition absorptions. Under the MGM, each spectrum is modeled in log reflectance and energy as a sum of absorption bands superimposed onto a baseline or continuum. Each absorption band is described by three model parameters (center, width, and strength) which can be interpreted and used to infer composition. One of the strengths of the MGM is that it allows compositional information to be extracted directly from measured spectra and is therefore complementary to other approaches to modeling asteroid spectra which require the use of meteorites and/or terrestrial samples as spectral analogs. A quantitative understanding of the properties of olivine absorptions was established by using the MGM to analyze a laboratory suite of spectra spanning a full range of olivine compositions.

Sunshine, Jessica M.↗
DOE OSTI2023

Effects of Field Strength and Silver Nanowire Size on Plasmon-Enhanced N 2 Dissociation

Dissociation of the nitrogen molecule via plasmon-enhanced catalysis using noble metal nanoparticles has been investigated both experimentally and computationally in recent years. However, the mechanism of plasmon-enhanced nitrogen dissociation is still not very clear. In this work, we apply theoretical approaches to examine the dissociation of a nitrogen molecule on atomically-thin Ag n nanowires (n = 6, 8, 10, 12) and a Ag 19 + nanorod. Ehrenfest dynamics provides information about the motion of nuclei during the dynamics process and real-time TDDFT calculations show the electronic transitions and population of electrons over the first 10s of fs time scale. The activation and dissociation of nitrogen is typically enhanced when the electric field strength increases. However, the enhancement is not always monotonic with field strength. As the length of the Ag wire increases, nitrogen is typically easier to dissociate and thus requires lower field strengths, even though the plasmon frequency is lower. The Ag 19 + nanorod leads to faster dissociation of N 2 than the atomically-thin nanowires. Altogether, our detailed study yields insights into the mechanisms involved in plasmon-enhanced N 2 dissociation, as well as provides information about factors that can be used to improve adsorbate activation.

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

Search for electron-neutrino transitions to sterile states in the BEST experiment

The Baksan Experiment on Sterile Transitions (BEST) probes the gallium anomaly and its possible connections to oscillations between active and sterile neutrinos. Based on the Gallium-Germanium Neutrino Telescope (GGNT) technology of the SAGE experiment, BEST employs two zones of liquid Ga target to explore neutrino oscillations on the meter scale. Oscillations on this short scale could produce deficits in the 71 Ge production rates within the two zones, as well as a possible rate difference between the zones. From July 5th to October 13th 2019, the two-zone target was exposed to a primarily monoenergetic, 3.4-MCi 51 Cr neutrino source 10 times for a total of 20 independent 71 Ge extractions from the two Ga targets. The 71 Ge production rates from the neutrino source were measured from July 2019 to March 2020. At the end of these measurements, the counters were filled with 71 Ge doped gas and calibrated during November 2020. In this paper, results from the BEST sterile neutrino oscillation experiment are presented in details. The ratio of the measured 71 Ge production rates to the predicted rates for the inner and the outer target volumes are calculated from the known neutrino capture cross section. Comparable deficits in the measured ratios relative to predicted values are found for both zones, with the 4⁢𝜎 deviations from unity consistent with the previously reported gallium anomaly. Finally, if interpreted in the context of neutrino oscillations, the deficits give best-fit oscillation parameters of Δ⁢𝑚 2 = 3.3$^{+∞}{−2.3}$ eV 2 and sin 2 ⁡2⁢𝜃 = 0.42$^{+0.15}{−0.17}$, consistent with 𝜈 𝑒 →𝜈 𝑠 oscillations governed by a surprisingly large mixing angle.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2008

Experimental and Coupled-channels Investigation of the Radiative Properties of the N2 c4 (sup 1)Sigma+(sub u) - X (sup 1)Sigma+(sub g) Band System

The emission properties of the N2 c(sup prime)(sub 4) (sup 1)Sigma+(sub u) - Chi (sup 1)Sigma+(sub g) band system have been investigated in a joint experimental and coupled-channels theoretical study. Relative intensities of the c(sup prime)(sub 4) (sup 1)Sigma+(sub u)(0) - Chi (sup 1)Sigma+(sub g)(v(sub i)) transitions, measured via electron-impact-induced emission spectroscopy, are combined with a coupled-channel Schroedinger equation (CSE) model of the N2 molecule, enabling determination of the diabatic electronic transition moment for the c(sup prime)(sub 4) (sup 1)Sigma+(sub u) - Chi (sup 1)Sigma+(sub g) system as a function of internuclear distance. The CSE probabilities are further verified by comparison with a high-resolution experimental spectrum. Spontaneous transition probabilities of the c(sup prime)(sub 4) (sup 1)Sigma+(sub u) - Chi (sup 1)Sigma+(sub g) modeling atmospheric emission, can now be calculated reliably.

internuclear distance↗
NASA NTRS2012

Improving Safety on the International Space Station: Transitioning to Electronic Emergency Procedure Books on the International Space Station

The National Aeronautics and Space Administration (NASA) originally designed the International Space Station (ISS) to operate until 2015, but have extended operations until at least 2020. As part of this very dynamic Program, there is an effort underway to simplify the certification of Commercial ]of ]the ]Shelf (COTS) hardware. This change in paradigm allows the ISS Program to take advantage of technologically savvy and commercially available hardware, such as the iPad. The iPad, a line of tablet computers designed and marketed by Apple Inc., was chosen to support this endeavor. The iPad is functional, portable, and could be easily accessed in an emergency situation. The iPad Electronic Flight Bag (EFB), currently approved for use in flight by the Federal Aviation Administration (FAA), is a fraction of the cost of a traditional Class 2 EFB. In addition, the iPad fs ability to use electronic aeronautical data in lieu of paper in route charts and approach plates can cut the annual cost of paper data in half for commercial airlines. ISS may be able to benefit from this type of trade since one of the most important factors considered is information management. Emergency procedures onboard the ISS are currently available to the crew in paper form. Updates to the emergency books can either be launched on an upcoming visiting vehicle such as a Russian Soyuz flight or printed using the onboard ISS printer. In both cases, it is costly to update hardcopy procedures. A new operations concept was proposed to allow for the use of a tablet system that would provide a flexible platform to support space station crew operations. The purpose of the system would be to provide the crew the ability to view and maintain operational data, such as emergency procedures while also allowing Mission Control Houston to update the procedures. The ISS Program is currently evaluating the safety risks associated with the use of iPads versus paper. Paper products can contribute to the flammability risk and require manual updates that take time away from research tasks. The ISS program has recently purchased three iPads for the astronauts and the certification has been approved. The crew is currently using the iPads onboard. The results of this analysis could be used to discern whether the iPad is a viable option for use in emergencies by assessing the risk posture through the development of a quantitative probabilistic risk assessment (PRA).

Carter-Journet, Katrina↗
DOE OSTI2020

First-principles coupled cluster theory of the electronic spectrum of transition metal dichalcogenides

The electronic properties of two-dimensional transition metal dichalcogenides (2D TMDs) have attracted much attention during the last decade. Here we show how a diagrammatic ab initio coupled cluster singles and doubles (CCSD) treatment paired with a careful thermodynamic limit extrapolation in two dimensions can be used to obtain converged band gaps for monolayer materials in the MoS 2 family. We find CCSD gaps to lie in the upper range of the spread of $\textit{GW}$ approximation based on density functional theory (DFT) simulations, and also find slightly higher effective hole masses compared to previous reports. We also investigate the ability of CCSD to describe trion states, finding a reasonable qualitative structure, but poor excitation energies due to the lack of screening of three-particle excitations in the effective Hamiltonian. Our study provides an independent high-level benchmark of the role of many-body effects in 2D TMDs and showcases the potential strengths and weaknesses of diagrammatic coupled cluster approaches for realistic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spin and charge excitations in the correlated multiband metal Ca 3 Ru 2 O 7

We use Ru $L_3$-edge resonant inelastic x-ray scattering to study the full range of excitations in Ca 3 Ru 2 O 7 from meV-scale magnetic dynamics through to the eV-scale interband transitions. This bilayer 4d-electron correlated metal expresses a rich phase diagram, displaying long-range magnetic order below 56 K followed by a concomitant structural, magnetic, and electronic transition at 48 K. In the low-temperature phase, we observe a magnetic excitation with a bandwidth of ~30 meV and a gap of ~8 meV at the zone center, in excellent agreement with inelastic neutron scattering data. The dispersion can be modeled using a Heisenberg Hamiltonian for a bilayer S = 1 system with single-ion anisotropy terms. At a higher energy loss, dd-type excitations show heavy damping in the presence of itinerant electrons, giving rise to a fluorescencelike signal appearing between the $t_{2g}$ and $e_g$ bands. At the same time, we observe a resonance originating from localized $t_{2g}$ excitations, in analogy to the structurally related Mott insulator Ca 2 RuO 4 . But whereas Ca 2 RuO 4 shows sharp separate spin-orbit excitations and Hund’s-rule driven spin-state transitions, here we identify only a single broad asymmetric feature. These results indicate that local intraionic interactions underlie the correlated physics in Ca 3 Ru 2 O 7 , even as the excitations become strongly mixed in the presence of itinerant electrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Polyamorphism in a solute-lean Al–Ce metallic glass

Polyamorphism discovered in lanthanide-rich metallic glasses (MGs) has been attributed to the electronic transition of the lanthanide element as a solvent element. In this work, we report that pressure-induced polyamorphism still exists in a Ce-poor Al 93 Ce 7 binary MG where the 4f electron element serves as a solute and solute–solute avoidance is expected. The polyamorphic transition, observed by in situ high-pressure synchrotron x-ray diffraction, is accompanied by a volume collapse of ~0.78% and occurs over a narrow pressure range from ~0.8 to ~1.8 GPa. Further synchrotron Ce L 3 -edge x-ray absorption spectroscopy measurements reveal that pressure-induced 4f electron delocalization underlies the polyamorphic transition. Molecular dynamics simulations confirm that the Ce atoms in the MG are completely isolated by the solvent Al atoms. This result demonstrates that 4f element-bearing alloys with extremely dilute concentrations can also exhibit polyamorphic states originating from electronic transitions, extending the compositional space of polyamorphism of MGs into very dilute regions. Our work suggests that tunable properties under compressive stress could be achieved in MGs by even minor doping of elements prone to electronic transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Dynamics of resonant low-energy electron attachment to ethanol-producing hydroxide anions

Here, the dynamics of dissociative electron attachment to ethanol is experimentally investigated at the Feshbach resonance formed with incident electron energies near 9.5 eV. Highly differential laboratory-frame momentum distributions of OH – fragments are measured for a series of energies spanning the resonance width, using the velocity-map-imaging technique. The OH – kinetic-energy distribution indicates that the C-O breaking dissociation process could either be a three-body dissociation or a two-body dissociation with significant rovibrational excited fragments. The small, but significant, anisotropy in the OH – angular distribution provides signatures of the molecular symmetry of the associated resonant state under the axial recoil approximation, which assumes the dissociation is much faster than any rotation of the dissociation axis. Within these assumptions, the 9.5-eV Feshbach resonance can be assigned to the electronic transition from the ($10a'$) orbital with its ground-state C s symmetry to the empty ($4a''$) level, involving the simultaneous electron attachment. This dynamics could be a model for C-O dissociation in larger alcohols and ethers.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2006

Distributed Antenna-Coupled Transition Edge Sensors

We describe progress toward realizing a new architecture for focal plane arrays for the Submillimeter and Far- Infrared (FIR) bands. This architecture is based on a detector design utilizing distributed hot{electron transition edge sensors (TES) coupled to slot antenna elements. Arrays utilizing this type of detector can be considerably easier to manufacture than membrane-isolated TES arrays, because the need for micro-machining is eliminated. We present background and rationale for this new array architecture and details of a new antenna design for an imaging polarimeter, which yields greater bandwidth than past designs. In addition, we describe a cryogenic facility for testing these arrays.

bolometer↗
DOE OSTI2024

Synthesis and Characterization of Isostructural Th(IV) and U(IV) Pyridine Dipyrrolide Complexes

A series of pyridine dipyrrolide actinide(IV) complexes, ( Mes PDP Ph )AnCl 2 (THF) and An( Mes PDP Ph ) 2 (An = U, Th, where ( Mes PDP Ph ) is the doubly deprotonated form of 2,6-bis(5-(2,4,6-trimethylphenyl)-3-phenyl-1H-pyrrol-2-yl)pyridine), have been prepared. Characterization of all four complexes has been performed through a combination of solid- and solution-state methods, including elemental analysis, single crystal X-ray diffraction, and electronic absorption and nuclear magnetic resonance spectroscopies. Collectively, these data confirm the formation of the mono- and bis-ligated species. Time-dependent density functional theory has been performed on all four An(IV) complexes, providing insight into the nature of electronic transitions that are observed in the electronic absorption spectra of these compounds. Room temperature, solution-state luminescence of the actinide complexes is presented. Both Th(IV) derivatives exhibit strong photoluminescence; in contrast, the U(IV) species are nonemissive.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗