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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Auroral electrojets and evening sector electron dropouts at synchronous orbit

Evidence is presented in support of the concept that, during magnetospheric substorms, ionospheric auroral electrojet currents are directly coupled to the proton partial ring current in the outer magnetosphere. It has been found that for sufficiently isolated substorms the timing of the start of the electron dropout and of its maximum depression is in good agreement with the start and maximum of electrojet activity as indicated by the auroral electrojet index. This correlation suggests a direct coupling between the electrojet currents and the proton partial ring current.

Erickson, K. N.↗
DOE OSTI2023

A closer look at how symmetry constraints and the spin–orbit coupling shape the electronic structure of Bi(111)

Abstract Fully relativistic density-functional-theory calculations of Bi(111) thin films are analyzed to revisit their two metallic surface-states branches. We first contrast these metallic branches with surface states arising at gaps in the valence band opened by the spin–orbit coupling (SOC). We find that the two metallic branches along Γ M ‾ do not overlap with the bulk band at the zone boundary,M. We show that the spin texture observed in such states cannot be traced to the lifting of Kramers’ degeneracy. Instead, we track them to the m j = ± 1 / 2 – m j = ± 3 / 2 SOC splitting, the potential anisotropy for in-plane and out-of-plane states, and the coupling between the opposite surfaces of a slab occurring nearM, which is driven by a spatial redistribution of the four metallic states composing the two metallic branches. Each of these branches appears to be non-degenerate at the tested surface, yet each is degenerate with another state of opposite spin at the other surface. Nevertheless, the four metallic states bear some contribution on both surfaces of the film because of their spatial redistribution nearM. The overlapping among these states nearM, afforded by their spatial redistribution on both surfaces, causes a hybridization that perpetuates the splitting between the two branches, makes the film’s electronic structure thickness dependent nearM, extinguishes the magnetic moment of the metallic states avoiding the magnetic-moment discontinuity atM, and denies the need or expectancy of the metallic branches becoming degenerate atM. We propose that theoppositespin polarization observed for the two metallic branches occurs because the surface atoms retain their covalent bonds and thus cannot afford magnetic polarization. We show that the Rashba-splitting of the metallic states for inversion-asymmetric films does not have a fixed magnitude but can be tuned by changing the perturbation breaking inversion symmetry.

Physics↗
DOE OSTI2022

Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations

The high computational scaling with the basis set size and the number of correlated electrons is a bottleneck limiting applications of coupled cluster algorithms, in particular for calculations based on two- or four-component relativistic Hamiltonians, which often employ uncontracted basis sets. This problem may be alleviated by replacing canonical Hartree–Fock virtual orbitals by natural orbitals (NOs). Here, in this paper, we describe the implementation of a module for generating NOs for correlated wavefunctions and, in particular, second order Møller–Plesset perturbation frozen natural orbitals (MP2FNOs) as a component of our novel implementation of relativistic coupled cluster theory for massively parallel architectures [Pototschnig et al. J. Chem. Theory Comput. 17, 5509, (2021)]. Our implementation can manipulate complex or quaternion density matrices, thus allowing for the generation of both Kramers-restricted and Kramers-unrestricted MP2FNOs. Furthermore, NOs are re-expressed in the parent atomic orbital (AO) basis, allowing for generating coupled cluster singles and doubles NOs in the AO basis for further analysis. By investigating the truncation errors of MP2FNOs for both the correlation energy and molecular properties—electric field gradients at the nuclei, electric dipole and quadrupole moments for hydrogen halides HX (X = F–Ts), and parity-violating energy differences for H 2 Z 2 (Z = O–Se)—we find MP2FNOs accelerate the convergence of the correlation energy in a roughly uniform manner across the Periodic Table. It is possible to obtain reliable estimates for both energies and the molecular properties considered with virtual molecular orbital spaces truncated to about half the size of the full spaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Photo-induced non-collinear interlayer RKKY coupling in bulk Rashba semiconductors

Abstract The interplay between light-matter, spin-orbit, and magnetic interactions allows the investigation of light-induced magnetic phenomena that are otherwise absent without irradiation. We present our analysis of light-driven effects on the interlayer exchange coupling mediated by a bulk Rashba semiconductor in a magnetic multilayer. The collinear magnetic exchange coupling mediated by the photon-dressed spin-orbit coupled electrons of BiTeI develops light-induced oscillation periods and displays new decay power laws, both of which are enhanced with an increasing light-matter coupling. For magnetic layers with non-collinear magnetization, we find a non-collinear magnetic exchange coupling uniquely generated by light-driving of the multilayer. As the non-collinear magnetic exchange coupling mediated by the photon-dressed electrons of BiTeI is unique to the irradiated system and it is enhanced with increasing light-matter coupling, this effect offers a promising platform of investigation of light-driven effects on magnetic phenomena in spin-orbit coupled systems. In this platform, light properties, such as its intensity, can serve as external knobs for inducing non-collinear couplings of the interlayer exchange and for modulating the collinear couplings. Both of these effects signify the photo-generated modification in the spin textures of spin-orbit coupled electrons in BiTeI.

Physics↗
DOE OSTI2020

Spatially dependent modeling and simulation of runaway electron mitigation in DIII-D

New simulations with the Kinetic Orbit Runaway electron (RE) Code (KORC) show RE deconfinement losses to the wall during plasma scrape off are the primary current dissipation mechanism in DIII-D experiments with high-Z impurity injection, and not collisional slowing down. The majority of simulations also exhibit an increase in the RE beam energy due to acceleration by the induced toroidal electric field, even while the RE beam current is decreasing. In this study, KORC integrates RE orbits using the relativistic guiding center equations of motion and incorporates time-sequenced, experimental reconstructions of the magnetic and electric fields and line integrated electron density to construct spatiotemporal models of electron and partially ionized impurity transport in the companion plasma. Comparisons of experimental current evolution and KORC results demonstrate the importance of including Coulomb collisions with partially ionized impurity physics, initial RE energy, pitch angle, and spatial distributions, and spatiotemporal electron and partially ionized impurity transport. The research presented here provides an initial quantification of the efficacy of RE mitigation via injected impurities and identification of the critical role played by loss of confinement due to plasma scrape off on the inner wall as compared to the relatively slow collisional damping.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1972

Photodetachment of an electron from selenide ion - The electron affinity and spin-orbit coupling constant for SeH.

The relative cross section for the gas phase photodetachment of an electron from SeH(-) was determined in the wavelength region 428 to 578 nm. An ion cyclotron resonance spectrometer was used to generate, trap, and detect the negative ions, and a 1000-W xenon arc lamp with a grating monochromator was employed as the light source. The cross section exhibited two sharp thresholds, whose positions remained unchanged for the photodetachment of SeD(-). As a result of these thresholds, the electron affinity and the spin-orbit coupling constant were evaluated.

Smyth, K. C.↗
DOE OSTI2023

Electronic structure, dimer physics, orbital-selective behavior, and magnetic tendencies in the bilayer nickelate superconductor $\mathrm{La_3Ni_2O_7}$under pressure

Motivated by the recently reported high-temperature superconductivity in the bilayer La 3 Ni 2 O 7 (LNO) under pressure, we comprehensively study this system using ab initio techniques. The Ni 3d orbitals have a large bandwidth at ambient pressure, increasing by ~22% at 29.5 GPa. Without electronic interactions, the Ni d 3z 2 -r 2 orbitals form a bonding-antibonding molecular orbital state via the O p z inducing a “dimer” lattice in the LNO bilayers. The Fermi surface consists of two-electron sheets with mixed e g orbitals and a hole pocket defined by the d 3z 2 -r 2 orbital, suggesting a Ni two-orbital minimum model. Different from the infinite-layer nickelate, we obtained a large interorbital hopping between d 3z 2 -r 2 and d x 2 -y 2 states in LNO, caused by the ligand “bridge” of in-plane O p x or p y orbitals connecting those two orbitals, inducing d-p σ-bonding characteristics. The competition between the intraorbital and interorbital hoppings leads to an interesting dominant spin stripe (π,0) order because of bond ferromagnetic tendencies via the recently discussed “half-empty” mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1973

LLL electron and proton spectrometer on NASA's Orbiting Geophysical Observatory 5

The LLL energetic electron and proton spectrometer on NASA's Orbiting Geophysical Observatory 5 (OGO-5) operated successfully from launch - March 4, 1968 - until retirement in August 1971. Data recovery during this time was about 95% of the orbit except for the last few months. The electron spectrometer used a magnetic field for electron momentum selection which served also as an electron broom for a proton range - energy telescope. The energy range was approximately 60 to 2950 keV for electrons (seven channels) and 0.10 to approximately 94 MeV for protons (seven channels). The experiment was scanned relative to the stabilized OGO-5 for obtaining directional information. Excellent data were taken throughout the magnetosphere and in the interplanetary region. Studies were carried out in the areas of equatorial pitch-angle distributions, substorm dynamics and field topology, particle spectra (time history), particle spatial distributions, and solar particle events.

West, H. I., Jr.↗
NASA NTRS1994

Project ECHO: Electronic Communications from Halo Orbit

The design of a communications relay to provide constant access between the Earth and the far side of the Moon is presented. Placement of the relay in a halo orbit about the L2 Earth-Moon Lagrange point allows the satellite to maintain constant simultaneous communication between Earth and scientific payloads on the far side of the Moon. The requirements of NASA's Discovery-class missions adopted and modified for this design are: total project cost should not exceed $150 million excluding launch costs, launch must be provided by Delta-class vehicle, and the satellite should maintain an operational lifetime of 10 to 15 years. The spacecraft will follow a transfer trajectory to the L2 point, after launch by a Delta II 7925 vehicle in 1999. Low-level thrust is used for injection into a stationkeeping-free halo orbit once the spacecraft reaches the L2 point. The shape of this halo orbit is highly elliptical with the maximum excursion from the L2 point being 35000 km. A spun section and despun section connected through a bearing and power transfer assembly (BAPTA) compose the structure of the spacecraft. Communications equipment is placed on the despun section to provide for a stationary dual parabolic offset-feed array antenna system. The dual system is necessary to provide communications coverage during portions of maximum excursion on the halo orbit. Transmissions to the NASA Deep Space Network 34 m antenna include six channels (color video, two voice, scientific data from lunar payloads, satellite housekeeping and telemetry and uplinked commands) using the S- and X-bands. Four radioisotope thermoelectric generators (RTG's) provide a total of 1360 W to power onboard systems and any two of the four Hughes 13 cm ion thrusters at once. Output of the ion thrusters is approximately 17.8 mN each with xenon as the propellant. Presence of torques generated by solar pressure on the antenna dish require the addition of a 'skirt' extending from the spun section of the satellite for balance. Total mass of the satellite is approximately 900 kg at a cost of $130 million FY99.

Borrelli, Jason↗