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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Single quantum emitters with spin ground states based on Cl bound excitons in ZnSe

Defects in wide-band-gap semiconductors are promising qubit candidates for quantum communication and computation. Epitaxially grown II-VI semiconductors are particularly promising host materials due to their direct band gap and potential for isotopic purification to a spin-zero nuclear background. Here, we show an alternative type of single photon emitter with potential electron spin qubits based on Cl impurities in ZnSe. We utilize a quantum well to increase the binding energies of donor emission and confirm single photon emission with short radiative lifetimes of 192 ps. Furthermore, we verify that the ground state of the Cl donor complex contains a single electron by observing two-electron-satellite emission, leaving the electron in higher orbital states. We also characterize the Zeeman splitting of the exciton transition by performing polarization-resolved magnetic spectroscopy on single emitters. Our results suggest single Cl impurities are suitable as a single photon source with a potential photonic interface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Low-energy electrodynamics and a hidden Fermi liquid in the heavy-fermion compound CeCoIn 5

We present time-domain THz spectroscopy of thin films of the heavy-fermion superconductor CeCoIn 5 . Below the ≈40 K Kondo coherence temperature, a narrow Drude-like peak forms, as a result of the 𝑓-orbital–conduction-electron hybridization and the formation of the heavy-fermion state. The complex optical conductivity is analyzed through a Drude model and extended Drude model analysis. Via the extended Drude model analysis, we measure the frequency-dependent scattering rate (1/𝜏) and effective mass (𝑚*/𝑚 𝑏 ). This scattering rate shows a linear dependence on temperature, which matches the dependence of the resistivity as expected. Nevertheless, the width of the low-frequency Drude peak itself that is set by the renormalized quasiparticle scattering rate (1/𝜏*=𝑚 𝑏 /𝑚*⁢𝜏) shows a 𝑇 2 dependence. This is the scattering rate that characterizes the relaxation time of the renormalized quasiparticles. In conclusion, this gives evidence for a Fermi liquid state, which in conventional transport experiments is hidden by the strong temperature dependent mass.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Optically Controlled Orbitronics on a Triangular Lattice

The propagation of electrons in an orbital multiplet dispersing on a lattice can support anomalous transport phenomena deriving from an orbitally induced Berry curvature. In striking contrast to the related situation in graphene, we find that anomalous transport for an L = 1 multiplet on the primitive 2D triangular lattice is activated by easily implemented on site and optically tunable potentials. Further, we demonstrate this for dynamics in a Bloch band where point degeneracies carrying opposite winding numbers are generically offset in energy, allowing both an anomalous charge Hall conductance with the sign selected by off-resonance coupling to circularly polarized light and a related anomalous orbital Hall conductance activated by layer buckling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A Systematic, Polynomial-Cost Approach to Exact Correlation Energies (Final Technical Report)

The full configuration interaction (FCI) wave function provides the exact solution to the Schrödinger equation in a given basis set. While FCI is intractable due to exponential computational costs, the many-body expansion (or the method of increments) can reduce scaling to a low-order polynomial with system size. This project entailed advances in the incremental FCI (iFCI) approach, designed to allow iFCI to reach larger system sizes and maintain its intrinsic high accuracy. This document describes advances in solvers for iFCI, strategies to treat multiple charge and spin states, and virtual state management methods to reduce memory requirements. Overall, this project allows iFCI to correlate (for the first time) 142 valence electrons in 444 orbitals in a realistic model of a transition metal complex.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1972

Effects of simulated space radiation on selected optical materials

The effect of simulated Nimbus spacecraft orbital (1100 km, circular, and polar) radiation on wide bandpass glass filters, narrow bandpass thin film interference filters, and several fused silicas was determined by transmittance measurements over the 200 to 3400 nanom wavelength region. No changes were observed in the filters, which were shielded with fused silica during irradiation, after exposure to a 1-year equivalent orbital dose of electrons, nor in the fused silicas after the same electron exposure plus a 1-year equivalent dose of protons. Exposure to a 1/2-year equivalent dose of solar ultraviolet radiation caused a significant degradation in the transmittance of two ultraviolet-transmitting interference filters but had no effect on two colored glass filters that transmitted in the visible and near infrared regions. As a result of the ultraviolet exposure the fused silicas exhibited losses of several percent over the 200- to 300 nanom wavelength region.

Nicoletta, C. A.↗
NASA NTRS1970

Relativistic electron precipitation during magnetic storm main phase

Relativistic electrons can have cyclotron resonances with electromagnetic cyclotron waves. The resonant energy is generally well above 1 MeV throughout the magnetosphere, but it can fall to 1 MeV just within the plasmapause. This also corresponds to the region where ring current (10 to 50 keV) protons are expected to be strongly unstable. The resulting ion cyclotron wave amplitudes necessary to precipitate ring current protons leads to electron lifetimes near the strong diffusion limit ( 100 sec). Thus, 1 MeV electrons whose drift orbits intersect the stormtime plasmapause should rapidly be precipitated in the region 3 L 5 during the initial phase of a magnetic storm.

Thorne, R. M.↗
NASA NTRS1972

Effect of simulated space radiation on selected optical materials.

The effect of simulated Nimbus spacecraft orbital (1100 km, circular, and polar) radiation on wide-band-pass glass filters, narrow-bandpass thin-film interference filters, and several fused silicas was determined by transmittance measurements over the 200-3400-nm wavelength region. No changes were observed in the filters, which were shielded with fused silica during irradiation, after exposure to a 1-yr equivalent orbital dose of electrons, nor were changes observed in the fused silicas after the same electron exposure plus a 1-yr equivalent dose of protons. Exposure to a 1/2-yr equivalent dose of solar uv radiation, however, caused a significant degradation in the transmittance of two uv-transmitting interference filters but had no effect on two colored glass filters that transmitted in the visible and near-ir regions. As a result of the uv exposure, the fused silicas exhibited losses of several percent over the 200-300-nm wavelength region.

Nicoletta, C. A.↗
NASA NTRS1977

Theory of inelastic ion-atom scattering at low and intermediate energies

Ab initio calculations are presented of inelastic energy loss and ionization phenomena associated with Ar(+)-Ar collisions at small distances of closest approach and for laboratory collision energies ranging from several keV to several hundred keV. Outer-shell excitations are handled statistically; inner-shell excitations are calculated from the viewpoint of quasidiabatic molecular orbital promotion. Auger electron yield, average state of ionization, and average inelastic energy loss are calculated per collision as a function of distance of closest approach of the collision partners for several laboratory collision energies. Average charge-state probabilities per collision partner are calculated as a function of the average inelastic energy loss per atom. It is shown that the structure in the data is due to the underlying structure in the inner-shell independent-electron quasimolecular promotion probabilities.

Schmid, G. B.↗
NASA NTRS1982

Measurements by the plasma diagnostics package on STS-3

A comprehensive set of measurements about the orbiter environment are provided by the plasma diagnostics package (PDP). Ion and electron particle densities, energies, and spatial distribution functions; ion mass for identification of particular molecular ion species; and magnetic fields, electric fields and electromagnetic waves over a broad frequency range are studied. Shuttle environmental measurements will be made both on the pallet and, by use of the remote manipulator system (RMS), the PDP will be maneuvered in and external to the bay area to continue environmental measurements and to carry on a joint plasma experiment with the Utah State University fast-pulsed electron generator. Results of orbiter environment EMI measurements and S-band field strengths as well as preliminary results from wake search operations indicating wake boundary identifiers are reported.

Shawhan, S. D.↗
NASA NTRS1985

Why CO bonds side-on at low coverage and both side-on and upright at high coverage on the Cr(110) surface

An atom superposition and electron delocalization molecular orbital study of CO adsorption on the Cr(110) surface shows a high coordinate lying down orientation is favored. This is a result of the large number of empty d-band energy levels in chromium, which allows the antibonding counterparts to sigma and pi donation bonds to the surface to be empty. When lying down, backbonding to CO pi sup * orbitals is enhanced. Repulsive interactions cause additional CO to stand upright at 1/4 monolyer coverage. The results confirm the recent experimental study of Shinn and Madey.

Mehandru, S. P.↗
NASA NTRS1985

Adsorption of O2, SO2, and SO3 on nickel oxide. Mechanism for sulfate formation

Calculations based on the atom superposition and electron delocalization molecular orbital (ASED-MO) technique suggest that O2 will adsorb perferentially end-on at an angle 45 deg from normal on a nickel cation site on the (100) surface of NiO. SO2 adsorption is also stronger on the nickel site; SO2 bonds through the sulfur atom is a plane perpendicular to the surface. Adsorption energies for SO3 on the nickel and oxygen sites are comparable in the perferred orientation in which the SO3 plane is parallel to the surface. On activation, SO3 adsorbed to an O2(-) site forms a trigonal pyramidal SO4 species which yields, with a low barrier, a tetrahedral sulfate anion. Subsequently the anion reorients on the surface. Possibilities for alternative mechanisms which require the formation of Ni3(+) or O2(-) are discussed. NiSO4 thus formed leads to the corrosion of Ni at high temperatures in the SO2+O2/SO3 The SO2+O2/SO3 atmosphere, as discussed in the experimental literature.

Mehandru, S. P.↗
NASA NTRS1985

Dopant effect of yttrium and the growth and adherence of alumina on nickel-aluminum alloys

The atom superposition and electron delocalization molecular orbital theory and large cluster models have been employed to study cation vacancy diffusion in alpha-Al2O3 and the bonding of alpha-Al2O3 to nickel, aluminum, and yttrium surfaces. Al(3+) diffusion barriers in alpha-Al2O3 by the vacancy mechanism are in reasonable agreement with experiment. The barrier to Y(3+) diffusion is predicted to be much higher. Since addition of yttrium to transition metal alloys is known to reduce the growth rate and stress convolutions in protective alumina scales, this result suggests the rate-limiting step in scale growth is cation vacancy diffusion. This may partially explain the beneficial effect of yttrium dopants on scale adhesion. The theory also predicts a very strong bonding between alumina and yttrium at the surface of the alloy. This may also be important to the adhesion phenomenon. It is also found that aluminum and yttrium atoms bond very strongly to nickel because of charge transfer from their higher lying valence orbitals to the lower lying nickel s-d band.

Anderson, A. B.↗
NASA NTRS1985

Mechanism for chelated sulfate formation from SO2 and bis (triphenylphosphine) platinum

Structure and energy surface calculations using the atom superposition and electron delocalization molecular orbital theory show that the first step in the reaction between SO2 and the dioxygen complex (PPh3)2PtO2 is the coordination of SO2 with one oxygen atom of the complex, followed by metal-oxygen bond breaking and reorientation, leading to a five-membered cyclic structure. This then rearranges to form the bidentate coordinated sulfate. Alternative pathways are considered and are found to be less favorable.

Mehandru, S. P.↗
NASA NTRS1986

Adsorption of O2, SO2, and SO3, on nickel oxide - Mechanism for sulfate formation

Calculations based on the atom superposition and electron delocalization molecular orbital technique suggest that O2 will adsorb preferentially end-on at an angle 45 deg from normal on a nickel cation site on the (100) surface of NiO. SO2 adsorption is also stronger on the nickel site; SO2 bonds through the sulfur atom in a plane perpendicular to the surface. Adsorption energies for SO3 on the nickel and oxygen sites are comparable in the preferred orientation in which the SO3 plane is parallel to the surface. The calculations suggest that the strength of adsorption varies as O2 greater than SO2 greater than SO3. On activation, SO3 adsorbed to an O(2-) site forms a trigonal pyramidal SO4 species which yields, with a low barrier, a tetrahedral sulfate anion. Subsequently the anion reorients on the surface. Alternative mechanisms which require the formation of Ni(3+) or O(-) are discussed. NiSO4 thus formed may play a passivating role for the corrosion of Ni at low temperatures in the SO2 + O2 + SO3 atmospheres and an active role at high temperatures, as discussed in the experimental literature.

Mehandru, S. P.↗
NASA NTRS1990

World-wide interactive access to scientific databases via satellite and terrestrial data network

In order to demonstrate the possibilities for scientific networking and data transfer, a first temporary satellite network link was installed between Czecholovakia and the European space operations center in Darmstadt, during the meeting of the inter-agency consultative group for space science in Prague. Several experiments to show interactive nature of the facility and the capability of the system were carried out, and it was proven that, despite the temporary nature of the installation, the planned demonstrations could be conducted in real time. Demonstrations included electronic mail message, orbit prediction and solar X-ray data. The results of the experiment provided insight into possibilities of data exchange.

Sanderson, T. R.↗
NASA NTRS1990

Linear prediction filter analysis of relativistic electron properties at 6.6 R(E)

The relationship between relativistic electron flux variations at 6.6 R(E) and various published indices and solar wind properties is studied. An attempt is made to characterize the temporal and dimensional relationships between solar wind or magnetic indices and electron flux enhancements. It is shown that the solar wind speed upstream of the earth's magnetosphere is correlated with large increases in the flux of highly relativistic electrons at geostationary orbit.

Baker, D. N.↗
NASA NTRS1990

Small-scale plasma, magnetic, and neutral density fluctuations in the nightside Venus atmosphere

The evolution of the Venus small-scale waves as they propagate into the nightsite is examined, and the small-scale structures are compared with the waves in the three components of the magnetic field, magnetic dip angle, and neutral density. It is demonstrated that the small-scale fluctuations evolve between the transterminator and antisolar regions. It is shown that atmospheric gravity waves may also be producing some of the fluctuations observed at longer wavelengths. The electron temperature and density are shown to be approximately 180 deg out of phase and exhibiting the highest correlation of any pair of variables. Waves in the electron and neutral densities are found to be correlated moderately on most orbits, while the average electron temperature is higher when the average magnetic field is more horizontal.

Hoegy, W. R.↗