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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

Reconstruction of β-Delayed Neutron Energy Spectra from Recoil-Ion Spectroscopy of Trapped Ions

Here Beta-delayed one-neutron (βn) emission has been investigated by confining radioactive ions in an ion trap and detecting the β particles and recoiling nuclei that emerge following decay. In this approach, the βn energy spectrum and branching ratio can be deduced without needing to detect the neutrons, as the neutron emission is inferred from the observed time of flight of the recoiling ions. This paper details the dominant effects that influence the extraction of the neutron energy from the time-of-flight measurement and explores the impact they have on the energy calibration and resolution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1977

Production of soft X-ray emitting slow multiply charged ions - Recoil ion spectroscopy

S ions with a mean charge state of about 14+ and Cl ions with a mean charge state of 12+ were used to study Ne L-shell vacancy production. The ions caused copious production of NeII-NeVIII excited states with approximately 10 to the minus 18 sq cm cross sections. The induced recoil velocities might have application to a significantly higher resolution spectroscopy than is possible with beam-foil methods.

Sellin, I. A.↗
DOE OSTI2023

High-Sensitivity Low-Energy Ion Spectroscopy with Sub-Nanometer Depth Resolution Reveals Oxidation Resistance of MoS 2 Increases with Film Density and Shear-Induced Nanostructural Modifications of the Surface

For decades, density has been attributed as a critical aspect of the structure of sputter-deposited nanocrystalline molybdenum disulfide (MoS 2 ) coatings impacting oxidation resistance and wear resistance. Despite its importance, there are few examples in the literature that explicitly investigate the relationship between the density and oxidation behaviors of MoS 2 coatings. Aging and oxidation are primary considerations for the use of MoS 2 coatings in aerospace applications as they inevitably experience prolonged storage in water and oxygen-rich environments prior to use. Oxidation that is either limited to the first few nanometers or through the bulk of the coating can result in seizure due to high initial coefficients of friction or component failure from excessive wear. High-sensitivity low-energy ion spectroscopy (HS-LEIS) and Rutherford backscattering spectrometry (RBS) are both used to understand the extent of oxidation throughout the first ~10 nanometers of the surface of pure sputtered nanocrystalline MoS 2 coatings after high-temperature aging and how it is impacted by the density of coatings as measured by RBS. Results show that low-density coatings (ρ = 3.55 g/cm 3 ) exhibit a more columnar microstructure and voiding, which act as pathways for oxidative species to penetrate and interact with edge sites, causing severe surface and subsurface oxidation. Furthermore, HS-LEIS of surfaces sheared prior to oxidation reveals that the oxidation resistance of low-density MoS 2 coatings can be significantly improved by shear-induced reorientation of the surface microstructure to a basal orientation and elimination of pathways for oxygen into the bulk through compaction of surface and subsurface voids.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Development of Nontargeted Workflow of Occupational Exposure by Infrared Ion Spectroscopy and Silicone Wristbands’ Passive Sampling

Monitoring chemical exposure has well-established protocols and procedures for occupational health and industrial hygiene across various career fields and in a variety of occupational and environmental conditions. Iterative analytical development has led to validated methods to provide employers and employees with safe working conditions in terms of industrial hygiene. These validated methods are commonly supported by commercial laboratories. Here, this workflow is explicitly a targeted approach in which sampling media, sample preparation, chemical separation, quantitative target detection, and post processing are well established. This workflow also relies on commercially available chemical surrogates, isotopically labeled internal standards, and certified/standard reference materials from reputable vendors. An untargeted workflow lacks many key ingredients of validated analytical methods to include the known chemical target.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Auger electron spectroscopy, secondary ion mass spectroscopy and optical characterization of a-C-H and BN films

The amorphous dielectrics a-C:H and BN were deposited on III-V semiconductors. Optical band gaps as high as 3 eV were measured for a-C:H generated by C4H10 plasmas; a comparison was made with bad gaps obtained from films prepared by CH4 glow discharges. The ion beam deposited BN films exhibited amorphous behavior with band gaps on the order of 5 eV. Film compositions were studied by Auger electron spectroscopy (AES), x-ray photoelectron spectroscopy (XPS) and secondary ion mass spectrometry (SIMS). The optical properties were characterized by ellipsometry, UV/VIS absorption, and IR reflection and transmission. Etching rates of a-C:H subjected to O2 dicharges were determined.

Pouch, J. J.↗
DOE OSTI2023

Electron and ion spectroscopy of azobenzene in the valence and core shells

Azobenzene is a prototype and a building block of a class of molecules of extreme technological interest as molecular photo-switches. We present a joint experimental and theoretical study of its response to irradiation with light across the UV to x-ray spectrum. The study of valence and inner shell photo-ionization and excitation processes combined with measurement of valence photoelectron-photoion coincidence and mass spectra across the core thresholds provides a detailed insight into the site- and state-selected photo-induced processes. Photo-ionization and excitation measurements are interpreted via the multi-configurational restricted active space self-consistent field method corrected by second order perturbation theory. Using static modeling, we demonstrate that the carbon and nitrogen K edges of azobenzene are suitable candidates for exploring its photoinduced dynamics thanks to the transient signals appearing in background-free regions of the NEXAFS and XPS.

Chemistry↗
NASA NTRS2019

Secondary Ion Mass Spectroscopy

Secondary Ion mass Spectroscopy (SIMS), as the name suggests, involves characterizing metallic and other materials trough the spectroscopic analysis of secondary ions emanating from the surface of the material to be characterized by the impact of the high energy primary ions. The primary ion source including the choice of its gun, voltage and current can be selected and used depending on the purpose of the analysis. In most instruments more than one primary ion gun is lined up to the sample stage and can be activated with selected accelerating parameters (voltage and beam intensity). The impingement of primary ions on to the sample surface generates positive, negative or neutral ions, electrons, atoms and atomic clusters. Majority of these sample fragments being neutral, could not be utilized as such fragments cannot be manipulated through the use of electromagnetic or electrostatic lenses. Secondary ions that are positively or negatively charged possess large variation in velocity, charge, and mass. These ionic fragments eventually travel through a system of several lenses in very high vacuum to reach detector/counter. Relative amounts of alloying elements or impurities in an alloy can be calculated from the counts of related ions accumulated in the detector/counter.

Panda, Binayak↗
DOE OSTI2020

Quantitative investigation of surface structure and interatomic potential with impact-collision ion scattering spectroscopy

Helium ion beam interactions with materials have important implications for magnetic confinement fusion, material modification, and helium ion microscopy. These interactions depend on the precise physics of how helium ions channel into the materials, which can vary greatly based on the local crystalline orientation. Here, we performed a dedicated experiment to investigate helium ion channeling in a well-characterized tungsten single crystal. Time-of-flight impact-collision ion scattering spectroscopy was used to obtain multi-angle maps of the backscattering intensity for 3 keV He + → W(111). We found that the backscattering intensity profile arising from helium ion channeling could be well described by a shadow cone analysis. This analysis revealed that subsurface W atoms as deep as the ninth monolayer contributed to the backscattering intensity profile. Binary collision approximation simulations were performed with MARLOWE to model the experimental maps with sufficient accuracy to allow for quantitative comparisons using reliability factors. These quantitative comparisons were applied to investigate how the W lattice structure and He–W interatomic potential affect the multi-angle maps.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Anion–Cation–Anion Ion Triplet Characterization by Computation and Photoelectron Spectroscopy

Ion triplets of the chloride salts of two commonly used weakly coordinating cations are reported (i.e., Cl – ·NMe 4 + Cl – (1 – ) and Cl – ·PPh 4 + Cl – (2 – )). Negative ion photoelectron spectra at 20 K afford vertical and adiabatic detachment energies of 5.18 and 5.00 eV (1 – ) and 5.03 and 4.70 eV (2 – ), respectively. These results are well reproduced by coupled cluster calculations with single, double, and perturbative triple excitations (CCSD(T)) whereas M06-2X is systematically too small by ~0.3 eV (i.e., 7 kcal mol –1 ). The structures of both 1 – and 2 – have five or six C–H···Cl – interactions that stabilize these cluster anions by 32 (1 – ) and 27 (2 – ) kcal mol –1 as given by their chloride dissociation enthalpies. In conclusion, these values drop to 7.4 and 3.8 kcal mol –1 in dichloromethane based up conductor-like polarizable continuum model calculations and suggest that X – ·M + X – ion triplets with a weakly coordinating cation maybe the reactive form of salts under some conditions.

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

Spatio-temporal ion temperature and velocity measurements in a Z pinch using fast-framing spectroscopy

Ion Doppler spectroscopy (IDS) is a diagnostic technique that measures plasma ion temperature and velocity without perturbing the plasma with a physical probe. The ZaP-HD Flow Z-Pinch Experiment at the University of Washington uses this technique to resolve radial temperature and velocity profiles of a Z-pinch plasma. The pinch lifetime is approximately 100 ms, therefore diagnostics capable of sub-microsecond resolution are required to measure the evolution of temperature and velocity profiles. The previous IDS diagnostic system was only capable of collecting a single measurement during a plasma pulse. Here, an improved system has been developed to measure radially-resolved ion temperature and velocity for the entire Z-pinch lifetime. A Kirana 05M ultra-fast framing camera and SIL ultraviolet intensifier are used to record up to 100 spectra per plasma pulse. The temperature is computed from Doppler broadening of the carbon-III (229.687 nm) impurity ion radiation and the velocity from the Doppler shift of carbon-III. Measurements are able to resolve the evolution of the ion temperature and velocity over the course of a plasma pulse. The diagnostic has significantly reduced the number of pulses required and provides a more coherent measurement of plasma dynamics than the previous system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Microsolvation in V + (H 2 O) n Clusters Studied with Selected-Ion Infrared Spectroscopy

Gas phase ion-molecule clusters of the form V + (H 2 O) n (n = 1-30) are produced by laser vaporization in a supersonic expansion. These ions are analyzed and mass-selected with a time-of-flight mass spectrometer and investigated with infrared laser photodissociation spectroscopy. The small clusters (n ≤ 7) are studied with argon tagging, while the larger clusters are studied via the elimination of water molecules. The vibrational spectra for the small clusters include only free O-H stretching vibrations, while larger clusters exhibit red-shifted hydrogen bonding vibrations. The spectral patterns reveal that the coordination around V + ions is completed with four water molecules. A symmetric square-planar structure forms for the n = 4 ion, and this becomes the core ion in larger structures. Clusters up to n = 8 have mostly two-dimensional structures, but hydrogen bonding networks evolve to three-dimensional structures in larger clusters. The free O-H vibration of AAD (acceptor-acceptor-donor) coordinated surface molecules converges to a frequency near that of bulk water by the cluster size of n = 30. However, the splitting of this vibration for AAD- versus AD-coordinated molecules is still different compared to other singly-charged or doubly-charged cation-water clusters. Finally, this indicates that cation identity and charge-site location in the cluster can produce discernible spectral differences for clusters in this size range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

Ion and electron temperatures in the SUMMA mirror device by emission spectroscopy

Ion and electron temperatures, and ion drift were measured in a superconducting magnetic mirror apparatus by observing the Doppler-broadened charge-exchange component of the 667.8 and 587.6 nanometer He lines in He plasma, and the H sub alpha and H sub beta lines in H2 plasma. The second moment of the line profiles was used as the parameter for determining ion temperature. Corrections for magnetic splitting, fine structure, monochromator slit function, and variation in charge-exchange cross section with energy are included. Electron temperatures were measured by the line ratio method for the corona model, and correlations of ion and electron temperatures with plasma parameters are presented.

Patch, R. W.↗
NASA NTRS1974

Ion and electron temperatures in the SUMMA mirror device by emission spectroscopy

Ion temperatures were obtained in the SUMMA mirror device by observing the Doppler-broadened charge-exchange component of the 667.8and 587.6-nm He lines in He plasma and the H alpha and H beta lines in H2 plasma. The second moment of the line profiles was used as the parameter to determine ion temperature. Corrections for magnetic splitting, fine structure, monochromator slit function, and variation in charge-exchange cross section with energy are derived and included. Even for constant cross section, no magnetic splitting or fine structure, and infinitely narrow slit function, the line profile is not Gaussian, because the excitation results from a change-exchange process. Comparison is made with temperatures from a neutral particle analyzer.-

Patch, R. W.↗