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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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NASA NTRS1998

Radio-Frequency Illuminated Superconductive Disks: Reverse Josephson Effects and Implications for Precise Measuring of Proposed Gravity Effects

We have previously reported results using a high precision gravimeter to probe local gravity changes in the neighborhood of large bulk-processed high-temperature superconductors. It have been indicated three essential components to achieve anomalous gravity effects, namely large, two-layer high-temperature YBCO superconductors, magnetic levitation and AC input in the form of radio-frequency (RF) electromagnetic fields. We report experiments on RF-illuminated (1-15 MHz) superconducting disks with corresponding gravity readings indicating an apparent increase in observed gravity of approximately 3-5 x l0(exp -5)cm/sq s, above and to the side of the superconductor. In this preliminary study, RF- illumination is achieved using a series of large radius (15 cm) spiral antenna with RF power inputs equal to or greater than 90 W. The observed gravitational modification range is significantly lower than the 2.1% gravity modification. The error analyses of thermal and electromagnetic interference in a magnetically shielded gravimeter with vacuum enclosures, Faraday cages and shielded instrument leads, are outlined both experimentally and theoretically. The nearly exact correspondence between the peak gravity effects reported and the well-known peak in AC resistance in superconductors (2-7 MHz, owing to reverse Josephson quantum effects) suggests that electrical resistance will arise in this frequency range and subsequently any trapped magnetic fields in the superconductor may disperse partially into the measuring instrument's local environment. Implications for propulsion initiatives and RF-heating in superconductors will be discussed.

Noever, David A.↗
DOE OSTI2016

Gyrokinetic neoclassical study of the bootstrap current in the tokamak edge pedestal with fully non-linear Coulomb collisions

As a follow-up on the drift-kinetic study of the non-local bootstrap current in the steep edge pedestal of tokamak plasma by Koh et al. [Phys. Plasmas 19, 072505 (2012)], a gyrokinetic neoclassical study is performed with gyrokinetic ions and drift-kinetic electrons. Besides the gyrokinetic improvement of ion physics from the drift-kinetic treatment, a fully non-linear Fokker-Planck collision operator—that conserves mass, momentum, and energy—is used instead of Koh et al.'s linearized collision operator in consideration of the possibility that the ion distribution function is non-Maxwellian in the steep pedestal. An inaccuracy in Koh et al.'s result is found in the steep edge pedestal that originated from a small error in the collisional momentum conservation. The present study concludes that (1) the bootstrap current in the steep edge pedestal is generally smaller than what has been predicted from the small banana-width (local) approximation [e.g., Sauter et al., Phys. Plasmas 6, 2834 (1999) and Belli et al., Plasma Phys. Controlled Fusion 50, 095010 (2008)], (2) the plasma flow evaluated from the local approximation can significantly deviate from the non-local results, and (3) the bootstrap current in the edge pedestal, where the passing particle region is small, can be dominantly carried by the trapped particles in a broad trapped boundary layer. A new analytic formula based on numerous gyrokinetic simulations using various magnetic equilibria and plasma profiles with self-consistent Grad-Shafranov solutions is constructed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

New understanding of inter-ELM pedestal turbulence, transport, and gradient behavior in the DIII-D tokamak

New observations of pedestal localized turbulence in the inter-ELM period of H-mode plasmas in DIII-D show that ion temperature gradient mode scale (ITG-scale) density fluctuation (ñ) increases immediately after each ELM crash and is quickly suppressed during the increase in local E × B shear. This excitation and subsequent suppression of ITG-scale ñ can explain the previously reported anomalous ion heat flux, Qi during the ELM (Viezzer et al 2017 Nucl. Fusion 57 022020). Shorter wavelength trapped electron mode scale (TEM-scale) ñ starts to increase at a critical pedestal temperature gradient (∇Te,ped) and saturates as local E × B shear, ${T}_{\mathrm{i}}^{\mathrm{C}\mathrm{6}+}/{T}_{\mathrm{e}}$ ratio, and ∇Te,ped saturate. This TEM-scale ñ, which has the potential to cause electron (and also ion) heat transport, is consistent with driving an anomalous electron heat flux Qe, where Qe is estimated between ELMs using experimental profiles and power balance. Both ITG- and TEM-scale ñ amplitude variations with background Ti/Te and ∇ne,ped are found to be consistent with theoretical predictions of these measured density fluctuations being ITG and TEM instabilities respectively. Furthermore, these new and unique observations on the nature of turbulence and their potential contributions to electron and ion heat fluxes at different ELM periods (i.e. collapse, recovery, and saturation phases of pedestal gradients) can significantly test and improve our pedestal predictive capabilities for ITER and other future fusion devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

3D Lead-Organoselenide-Halide Perovskites and their Mixed-Chalcogenide and Mixed-Halide Alloys

Here, we incorporate Se into the 3D halide perovskite framework using the zwitterionic ligand: SeCYS ( + NH 3 (CH 2 ) 2 Se - ), which occupies both the X - and A + sites in the prototypical ABX 3 perovskite. The new organoselenide-halide perovskites: (SeCYS)PbX 2 (X=Cl, Br) expand upon the recently discovered organosulfide-halide perovskites. Single-crystal X-ray diffraction and pair distribution function analysis reveal the average structures of the organoselenide-halide perovskites, whereas the local lead coordination environments and their distributions were probed through solid-state 77 Se and 207 Pb NMR, complemented by theoretical simulations. Density functional theory calculations illustrate that the band structures of (SeCYS)PbX 2 largely resemble those of their S analogs, with similar band dispersion patterns, yet with a considerable band gap decrease. Optical absorbance measurements indeed show band gaps of 2.07 and 1.86 eV for (SeCYS)PbX 2 with X=Cl and Br, respectively. We further demonstrate routes to alloying the halides (Cl, Br) and chalcogenides (S, Se) continuously tuning the band gap from 1.86 to 2.31 eV–straddling the ideal range for tandem solar cells or visible-light photocatalysis. The comprehensive description of the average and local structures, and how they can fine-tune the band gap and potential trap states, respectively, establishes the foundation for understanding this new perovskite family, which combines solid-state and organo-main-group chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Production of H{sub 2} by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical study

Long-term confinement of nuclear waste is one of the main challenges faced by the nuclear industry. Fission products such as {sup 90}Sr and {sup 137}Cs, both β{sup −} emitters known to induce serious health hazards, represent the largest fraction of nuclear waste. Cement is a good candidate to store them, provided it can resist the effects of irradiation over time. Here, we have investigated the effects of β{sup −} decay on cement by performing electron irradiation experiments on different samples. We show that H{sub 2} production in cement, the main effect of water radiolysis, depends strongly on composition and relative humidity. First-principles calculations indicate that the water-rich interlayer regions with Ca{sup 2+} ions act as electron traps that promote the formation of H{sub 2}. They also show that holes localize in water-rich regions in low Ca content samples and are then able to participate in H{sub 2} production. This work provides new understanding of radiolysis effects in cements. - Graphical abstract: H{sub 2} produced by radiolysis in cement paste is investigated by experimental and computational studies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Photoluminescence Dynamics Defined by Exciton Trapping Potential of Coupled Defect States in DNA-Functionalized Carbon Nanotubes

Chemical reactions between semiconducting single-wall carbon nanotubes (SWCNTs) and single-stranded DNA (ssDNA) achieve spatially patterned covalent functionalization sites and create coupled fluorescent quantum defects on the nanotube surface, tailoring SWCNT photophysics for applications such as single-photon emitters in quantum information technologies. The evaluation of relaxation dynamics of photoluminescence (PL) from those coupled quantum defects is essential for understanding the nanotube electronic structure and beneficial to the design of quantum light emitters. Here, we measured the PL decay for ssDNA-functionalized SWCNTs as a function of the guanine content of the ssDNA oligo that dictates the red-shifting of their PL emission peaks relative to the band-edge exciton. We then correlate the observed dependence of PL decay dynamics on energy red-shifts to the exciton potential energy landscape, which is modeled using first-principles approaches based upon the morphology of ssDNA-altered SWCNTs obtained by atomic force microscopy (AFM) imaging. In this work, our simulations illustrate that the multiple guanine defects introduced within a single ssDNA strand strongly interact to create a deep exciton trapping well, acting as a single hybrid trap. The emission decay from the distinctive trapping potential landscape is found to be biexponential for ssDNA-modified SWCNTs. We attributed the fast time component of the biexponential PL decay to the redistribution of exciton population among the lowest energy bright states and a manifold of dark states emerging from the coupling of multiple guanine defects. The long lifetime component in the biexponential decay, on the other hand, is attributed to the redistribution of exciton population among different exciton trapping sites that arise from the binding of multiple ssDNA strands along the nanotube axis. AFM measurements indicate that those trapping sites are separated on average by ~8 nm along the nanotube axis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Bulk assembly of organic metal halide nanotubes

The organic metal halide hybrids welcome a new member with a one-dimensional (1D) tubular structure. Herein we report the synthesis and characterization of a single crystalline bulk assembly of organic metal halide nanotubes, (C 6 H 13 N 4 ) 3 Pb 2 Br 7 . In a metal halide nanotube, six face-sharing metal halide dimers (Pb 2 Br 9 5– ) connect at the corners to form rings that extend in one dimension, of which the inside and outside surfaces are coated with protonated hexamethylenetetramine (HMTA) cations (C 6 H 13 N 4 + ). This unique 1D tubular structure possesses highly localized electronic states with strong quantum confinement, resulting in the formation of self-trapped excitons that give strongly Stokes shifted broadband yellowish-white emission with a photoluminescence quantum efficiency (PLQE) of ~7%. Finally, having realized single crystalline bulk assemblies of two-dimensional (2D) wells, 1D wires, and now 1D tubes using organic metal halide hybrids, our work significantly advances the research on bulk assemblies of quantum-confined materials.

36 MATERIALS SCIENCE↗
NASA NTRS1979

The magnetosphere of Mercury

According to Mariner 10 data on Mercury's magnetosphere, the bow shock and magnetosheath signatures in the magnetic field are entirely consistent with the geometry expected for interaction between a planet-centered magnetic dipole and the solar wind. The geometrically determined distance to the magnetopause stagnation point of solar wind flow was 1.45 plus or minus 0.15 Mercury radii. Comparative scaling of the magnetosphere of Mercury to earth shows that Mercury itself occupies a much larger fraction of the magnetosphere than does the earth. While there is no evidence for the permanent existence of a trapped charged particle radiation belt, intense transient bursts of energetic electrons indicate that a local acceleration process must be active. It is reasonable to assume that this process occurs in the magnetic tail. The interior plasma features compare well with those in the earth's magnetosphere. Characteristic time scales for transient phenomena at Mercury should be reduced by a factor of about 20 in comparison with those on earth - i.e., a few minutes for substorms vs an hour at earth. The origin of the magnetic field is unclear.

Ness, N. F.↗
NASA NTRS2018

Investigations of Pole Erosion Mechanisms in the 12.5 kW HERMeS Hall Thruster Using Numerical Simulations and Ion Velocity Measurements

When the Hall Effect Rocket with Magnetic Shielding (HERMeS) was tested at the NASA GRC’s VF-5 the erosion rate on the pole covers was found to be at least a factor of two higher at 300 V and 20.8 A than at other operating conditions in the 400 V to 600 V range. Simulations using our hydrodynamics code Hall2De do not predict increased erosion rates at 300 V but accurately compute erosion rates similar to the measurements at the other operating conditions. We investigate the source of the discrepancy between measurements and simulations at 300 V using a combination of numerical simulations and experimental measurements of the ion velocity fields in the acceleration region of the thruster. By examining previous simulations that predicted the measured erosion rates for other thrusters and operating conditions, we determine that sputtering of the pole surfaces by high energy ions is the most likely mechanism behind the erosion rates at 300 V. High energy ions sputter the pole surfaces when the acceleration region of the thruster is downstream of the pole surface plane. When the latter occurs, the curvature of the plasma potential contours at the edges of the channel accelerates a small fraction of the high energy ions radially. We find that neither our Hall2De simulations nor the experimental measurements produce ions of sufficiently high energy and flux to the inner pole cover to explain the measured erosion there. Only at the outer edge of the cover is where we find the ions needed to yield simulation results that are comparable to the erosion measurements. We argue that one possible mechanism for the higher erosion is high energy ions that graze the channel corner of the pole and become trapped in a sheath that develops downstream. Within the sheath, we find that the electric field is large enough to turn the ions towards the surface of the pole. A simplified calculation shows that the erosion rates produced by sputtering of trapped ions are similar to the measurements. We also propose that the presence of local oscillations and high-energy cathode ions may be sources of the enhanced erosion We conclude this article by proposing a combination of analysis, simulation, and experimental measurements that can be used to address the validity of these hypotheses.

Mikellides, Ioannis G.↗
DOE OSTI2017

Localization behavior at bound Bi complex states in GaA s 1 - x B i x

While bismuth-related states are known to localize carriers in GaAs 1-x Bi x alloys, the localization behavior of distinct Bi pair, triplet and cluster states bound above the valence band is less well understood. We probe localization at three different Bi complex states in dilute GaAs 1-x Bi x alloys using magneto-photoluminescence and time-resolved photoluminescence spectroscopy. The mass of electrons Coulomb-bound to holes trapped at Bi pair states is found to increase relative to the average electron mass in the alloy. This increase is attributed to enhanced local compressive strain in the immediate vicinity of the pairs. The dependence of energy transfer between these states on composition is also explored.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Electronic and Morphological Inhomogeneities in Pristine and Deteriorated Perovskite Photovoltaic Films

We perform scanning microwave microscopy (SMM) to study the spatially varying electronic properties and related morphology of pristine and degraded methylammonium lead-halide (MAPI) perovskite films fabricated under different ambient humidity. Here, we find that higher processing humidity leads to the emergence of increased conductivity at the grain boundaries but also correlates with the appearance of resistive grains that contain PbI 2 . Deteriorated films show larger and increasingly insulating grain boundaries as well as spatially localized regions of reduced conductivity within grains. These results suggest that while humidity during film fabrication primarily benefits device properties due to the passivation of traps at the grain boundaries and self-doping, it also results in the emergence of PbI 2 -containing grains. We further establish that MAPI film deterioration under ambient conditions proceeds via the spatially localized breakdown of film conductivity, both at grain boundaries and within grains, due to local variations in susceptibility to deterioration. These results confirm that PbI 2 has both beneficial and adverse effects on device performance and provide new means for device optimization by revealing spatial variations in sample conductivity as well as morphological differences in resistance to sample deterioration.

14 SOLAR ENERGY↗
NASA NTRS1991

Nonlinear development and secondary instability of Gortler vortices in hypersonic flows

In a hypersonic boundary layer over a wall of variable curvature, the region most susceptible to Goertler vortices is the temperature adjustment layer over which the basic state temperature decreases monotonically to its free stream value. Except for a special wall curvature distribution, the evolution of Goertler vortices trapped in the temperature adjustment layer will in general be strongly affected by the boundary layer growth through the O(M sup 3/2) curvature of the basic state, where M is the free stream Mach number. Only when the local wavenumber becomes as large as of order M sup 3/8, do nonparallel effects become negligible in the determination of stability properties. In the latter case, Goertler vortices will be trapped in a thin layer of O(epsilon sup 1/2) thickness which is embedded in the temperature adjustment layer; here epsilon is the inverse of the local wavenumber. A weakly nonlinear theory is presented in which the initial nonlinear development of Goertler vortices in the neighborhood of the neutral position is studied and two coupled evolution equations are derived. From these, it can be determined whether the vortices are decaying or growing depending on the sign of a constant which is related to wall curvature and the basic state temperature.

Fu, Yibin B.↗
DOE OSTI2016

RAM‐SCB simulations of electron transport and plasma wave scattering during the October 2012 “double‐dip” storm

Abstract Mechanisms for electron injection, trapping, and loss in the near‐Earth space environment are investigated during the October 2012 “double‐dip” storm using our ring current‐atmosphere interactions model with self‐consistent magnetic field (RAM‐SCB). Pitch angle and energy scattering are included for the first time in RAM‐SCB using L and magnetic local time (MLT)‐dependent event‐specific chorus wave models inferred from NOAA Polar‐orbiting Operational Environmental Satellites (POES) and Van Allen Probes Electric and Magnetic Field Instrument Suite and Integrated Science observations. The dynamics of the source (approximately tens of keV) and seed (approximately hundreds of keV) populations of the radiation belts simulated with RAM‐SCB is compared with Van Allen Probes Magnetic Electron Ion Spectrometer observations in the morning sector and with measurements from NOAA 15 satellite in the predawn and afternoon MLT sectors. We find that although the low‐energy ( E < 100 keV) electron fluxes are in good agreement with observations, increasing significantly by magnetospheric convection during both SYM‐H dips while decreasing during the intermediate recovery phase, the injection of high‐energy electrons is underestimated by this mechanism throughout the storm. Local acceleration by chorus waves intensifies the electron fluxes at E ≥50 keV considerably, and RAM‐SCB simulations overestimate the observed trapped fluxes by more than an order of magnitude; the precipitating fluxes simulated with RAM‐SCB are weaker, and their temporal and spatial evolutions agree well with POES/Medium Energy Proton and Electron Detectors data.

58 GEOSCIENCES↗
DOE OSTI2017

Grassmann phase space methods for fermions. II. Field theory

In both quantum optics and cold atom physics, the behaviour of bosonic photons and atoms is often treated using phase space methods, where mode annihilation and creation operators are represented by c-number phase space variables, with the density operator equivalent to a distribution function of these variables. The anti-commutation rules for fermion annihilation, creation operators suggests the possibility of using anti-commuting Grassmann variables to represent these operators. However, in spite of the seminal work by Cahill and Glauber and a few applications, the use of Grassmann phase space methods in quantum-atom optics to treat fermionic systems is rather rare, though fermion coherent states using Grassmann variables are widely used in particle physics. This paper presents a phase space theory for fermion systems based on distribution functionals, which replace the density operator and involve Grassmann fields representing anti-commuting fermion field annihilation, creation operators. It is an extension of a previous phase space theory paper for fermions (Paper I) based on separate modes, in which the density operator is replaced by a distribution function depending on Grassmann phase space variables which represent the mode annihilation and creation operators. This further development of the theory is important for the situation when large numbers of fermions are involved, resulting in too many modes to treat separately. Here Grassmann fields, distribution functionals, functional Fokker–Planck equations and Ito stochastic field equations are involved. Typical applications to a trapped Fermi gas of interacting spin 1/2 fermionic atoms and to multi-component Fermi gases with non-zero range interactions are presented, showing that the Ito stochastic field equations are local in these cases. For the spin 1/2 case we also show how simple solutions can be obtained both for the untrapped case and for an optical lattice trapping potential.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Probing the electronic properties of gap states near the surface of n -SrTiO 3-δ / i -Si (001) heterojunctions with high sensitivity

We have measured soft x-ray resonant photoemission for the n–SrTiO 3–δ /i–Si⁡(001) (δ=~0.0003) hybrid semiconductor heterojunction with the goal of probing occupied electronic states in the band gap near the surface. By utilizing both swept energy, angle-integrated and fixed-energy, and angle-resolved spectroscopies, we identify the atomic and orbital character of the in-gap state as well as the different electronic phases that contribute to it. Specifically, we isolate the state associated with trapped charge on the n–SrTiO 3–δ surface that causes surface depletion from the localized gap state resulting from electron correlation effects in the complex oxide. Using an x-ray energy close to select dipole allowed TiL 3 → 3⁢d x-ray absorption resonances results in a 40-fold increase in sensitivity. Furthermore, this feature makes photoemission possible when probing electrons from dopants at concentrations as low as a few hundredths of a percent.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Direct-write laser-assisted patterning of form birefringence in wave plates fabricated by glancing-angle deposition

The development of optics that provide spatial control of birefringence could enable better control of laser beam polarization, but available solutions are limited. Here we demonstrate a method to locally modify the birefringence of wave plates fabricated by glancing-angle deposition. The method employs localized melting of the anisotropic microstructure in a vacuum environment to alter the local birefringence. We demonstrate that this process is only possible under high vacuum to avoid trapping air within the melt zone. The direct-write method presented here can be readily utilized for coatings exhibiting form birefringence of virtually any chemical composition, size, and format.

42 ENGINEERING↗
NASA NTRS1993

Metal-rich meteorites from the aubrite parent body

Three metal-rich meteorites - Mt. Egerton, Horse Creek, and LEW 88055 - were studied and it is suggested that they formed in the aubrite parent body. LEW 85369 and 88631 may also have a common origin, but these rocks have not yet been studied in detail. This body was probably heated to about 1600 C by a very strong heat source. While molten, metal agglomerated into sizeable nodules which never segregated efficiently to form a core, but were trapped in the silicate mantle. Different clasts and lithologies in aubrites solidified and cooled under local equilibrium conditions of oxygen fugacity, and with different thermal histories. Impacts mixed clasts from throughout the parent body, creating the typical aubrite breccias.

Casanova, I.↗