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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Orbital-selective Peierls phase in the metallic dimerized chain MoOCl 2

Using ab initio density functional theory, here we systematically study the monolayer MoOCl 2 with a 4 d 2 electronic configuration. Our main result is that an orbital-selective Peierls phase (OSPP) develops in MoOCl 2 , resulting in the dimerization of the Mo chain along the b axis. Specifically, the Mo- d x y orbitals form robust molecular-orbital states inducing localized d x y singlet dimers, while the Mo- d x z / y z orbitals remain delocalized and itinerant. Our study shows that MoOCl 2 is globally metallic, with the Mo- d x y orbital bonding-antibonding splittings opening a gap and the Mo- d x z / y z orbitals contributing to the metallic conductivity. Overall, the results resemble the recently much discussed orbital-selective Mott phase but with the localized band induced by a Peierls distortion instead of Hubbard interactions. Finally, we also qualitatively discuss the possibility of OSPP in the 3 d 2 configuration, as in CrOCl 2 .

1-dimensional systems↗
DOE OSTI2022

Optical control of topological memory based on orbital magnetization

Under suitable conditions, some twisted graphene multilayers and transition-metal dichalcogenides become Chern insulators, exhibiting the anomalous quantum Hall effect and orbital magnetization due to spontaneous valley polarization. We study the interaction of a Chern insulator with circularly polarized light. Here, the interaction energy contains an antisymmetric term that couples to the helicity of incident light. For a two-band Chern insulator, this term is expressed as an integral involving the Berry curvature of the system. Taking advantage of this interaction, we propose an experimental protocol for switching topological memory based on orbital magnetization by circularly polarized light. Moreover, two laser beams of opposite circular polarization can nucleate domains of opposite magnetization and thus produce an optically configurable domain wall carrying topologically protected chiral edge modes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

First-principles study of bilayer polymeric manganese phthalocyanine

Here we study bilayer manganese phthalocyanine (MnPc) molecules and MnPc polymeric sheets using first-principles simulations with a focus on the magnetic interactions between Mn atoms. We find that the most stable position of the upper layer with respect to the lower layer is shifted about 1/8 of a lattice vector from the center of the bottom layer along the direction toward a nearest-neighbor N atom. The magnetic ground state is the Néel antiferromagnetic (AFM) configuration within a layer and ferromagnetic (FM) between Mn atoms in adjacent layers. In this state, the system becomes a semiconductor with an indirect band gap of 11meV. The strongest interaction is the interlayer coupling between the closest Mn atoms. A maximally localized Wannier analysis suggests that the dominant coupling pathway is Mn-(N,C)-Mn rather than a direct Mn-Mn coupling. The maximum calculated magnetic anisotropy energy is found to be 1.0meV per Mn atom. We also find that the bilayer molecule shows a significant stacking angle change from FM to AFM configurations accompanied by a change of orbital filling ordering.

2-dimensional systems↗
DOE OSTI2024

Constraints on 5 f -electron magnetism in Ga-stabilized $δ$-Pu from x-ray magnetic circular dichroism

Density-functional theory models of δ-Pu accurately predict crystal structure, phonon density of states, and unit cell volumes but require magnetic degrees of freedom which have never been experimentally verified. Some models invoke an on-site cancellation of spin and orbital moments, engendering a near-zero bulk magnetization, undetectable by most probes. Here, we employ x-ray magnetic circular dichroism at the Pu M 4,5 edges to directly probe spin and orbital moments using the magneto-optical sum rules. The data show no dichroism within experimental error, constraining polarized moments at 6 T and 3 K to μ L,S <0.1⁢μ B . Finally, these experiments point to the absence of even unconventional spin-orbit compensated order in δ-Pu.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Current-Driven Magnetization Reversal in Orbital Chern Insulators

Graphene multilayers with flat moiré minibands can exhibit the quantized anomalous Hall effect due to the combined influence of spontaneous valley polarization and topologically nontrivial valley-projected bands. The sign of the Hall effect in these Chern insulators can be reversed either by applying an external magnetic field, or by driving a transport current through the system. Here we propose a current-driven mechanism whereby reversal occurs along lines in the (current I , magnetic-field B ) control parameter space with slope d I / d B = ( e / h ) M A M ( 1 – γ 2 ) / γ , where M is the magnetization, A M is the moiré unit cell area, and γ < 1 is the ratio of the chemical potential difference between valleys along a domain wall to the electrical bias e V .

2-dimensional systems↗
DOE OSTI2020

Unconventional crystal-field splitting in noncentrosymmetric BaTiO 3 thin films

Understanding the crystal-field splitting and orbital polarization in noncentrosymmetric systems such as ferroelectric materials is fundamentally important. In this work, taking BaTiO 3 as a representative material, we investigate titanium crystal-field splitting and orbital polarization in noncentrosymmetric TiO 6 octahedra with resonant x-ray linear dichroism at the Ti L 2,3 edge. The high-quality BaTiO 3 thin films were deposited on DyScO 3 (110) single crystal substrates in a layer-by-layer way by pulsed laser deposition. The reflection high-energy electron diffraction and element specific x-ray absorption spectroscopy were performed to characterize the structural and electronic properties of the films. In sharp contrast to conventional crystal-field splitting and orbital configuration (d xz /d yz < d xy < d 3z 2 -r 2 < d x 2 -y 2 or d xy < d xz /d yz < d x 2 -y 2 < d 3z 2 -r 2 ) expected from compressive or tensile epitaxial strain, respectively, it is revealed that d xz , d yz , and d xy orbitals are nearly degenerate, whereas d 3z 2 -r 2 and d x 2 -y 2 orbitals are split with an energy gap ~100 meV in the epitaxial BaTiO 3 films. We find that the unexpected degenerate orbitals d xz /d yz /d xy result from the competition between the orbital splitting induced by epitaxial strain and that induced by polar distortions of BaTiO 3 films. Our results provide a route to manipulate orbital degree of freedom by switching electric polarization in ferroelectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nematic Fluctuations in the Non-Superconducting Iron Pnictide BaFe 1.9-x Ni 0.1 Cr x As 2

The main driven force of the electronic nematic phase in iron-based superconductors is still under debate. Here, we report a comprehensive study on the nematic fluctuations in a non-superconducting iron pnictide system BaFe 1.9-x Ni 0.1 Cr x As 2 by electronic transport, angle-resolved photoemission spectroscopy (ARPES), and inelastic neutron scattering (INS) measurements. Previous neutron diffraction and transport measurements suggested that the collinear antiferromagnetism persists to x = 0.8, with similar Néel temperature TN and structural transition temperature Ts around 32 K, but the charge carriers change from electron type to hole type around x = 0.5. In this study, we have found that the in-plane resistivity anisotropy also highly depends on the Cr dopings and the type of charge carriers. While ARPES measurements suggest possibly weak orbital anisotropy onset near Ts for both x = 0.05 and x = 0.5 compounds, INS experiments reveal clearly different onset temperatures of low-energy spin excitation anisotropy, which is likely related to the energy scale of spin nematicity. These results suggest that the interplay between the local spins on Fe atoms and the itinerant electrons on Fermi surfaces is crucial to the nematic fluctuations of iron pnictides, where the orbital degree of freedom may behave differently from the spin degree of freedom, and the transport properties are intimately related to the spin dynamics.

36 MATERIALS SCIENCE↗
NASA NTRS1961

Objectives of the Mariner Venus Microwave Radiometer Experiment

At present, there are several models involving the surface, atmosphere (and ionosphere), and cloud conditions of the planet Venus which attempt to account for the observed high brightness temperature of 600 degrees Kelvin in the microwave temperature region. None of these models can be definitely accepted or rejected on the basis of presently available data, and it is the goal of the microwave radiometer experiment planned for the Mariner Venus mission to determine which of the proposed models most nearly approximates Venusian conditions. The disc of the planet will be scanned at 4 wavelengths - 4, 8, 13.5 and 19 millimeters - to measure the temperature distribution across the planet. Measurement accuracy is expected to be to within 2 percent. In addition to the study of gross thermal characteristics of surface and atmosphere (or ionosphere), some information regarding the fine-scale thermal variations will be obtained. Since Venus appears to be continuously covered by clouds, it is obvious that only in the microwave region can one be sure of penetrating clear to the solid surface. Because of the absorbing characteristics of the Earth's atmosphere, and because of the relatively poor resolution obtainable in this region of the spectrum, one is forced to utilize the platform afforded by a planetary flyby or orbiter in order to conduct a reliable high resolution study of the planet. To do so from Earth (neglecting terrestrial atmospheric attenuation ) would require colossal radio telescopes.

RADIO ASTRONOMY↗
NASA NTRS1972

Detection of ocean chlorophyll from earth orbit

Calculations were made of the magnitude of the optical signature of ocean chlorophyll available to any remote sensor in earth orbit. It was desired to ascertain whether commercially significant concentrations of chlorophyll-A pigments in the ocean would produce a sufficient optical signal at orbital altitudes to operate optical remote sensors, such as those planned for the earth observatory satellite, on clear and hazy days. It was also desired to explore the effect of solar altitude on these optical signals. The best orientation was desired for the field of view for a remote sensor in orbit in order to optimize its ability to detect ocean chlorophyll.

Duntley, S. Q.↗
NASA NTRS1972

Particle-flux limits in the synchronous orbit.

Examination of measurements of 40- and 75-keV electrons and 60and 120-keV protons on the ATS 5 satellite in synchronous orbit in order to show that fluxes of such particles often approach but rarely exceed limiting values that agree within a factor of about 2 with the fluxes predicted by Kennel and Petschek (1966) from consideration of whistler-mode wave-particle interactions. A study is made of the proton and electron fluxes for evidence of the stably trapped flux limits in order to determine them, and to study the local-time dependences of their existence.

Mozer, F. S.↗
NASA NTRS1973

New approach to cosmic-ray diffusion theory.

We have investigated a new approach to deriving a diffusion equation for charged particles in a static, random magnetic field. Our method incorporates essential effects of the magnetic fluctuations in the lowest order particle orbits. Significant corrections to the usual quasilinear diffusion coefficient for cosmic rays with pitch angles near 90 deg are a consequence. Monte Carlo results bear out the validity of our theory.

Jones, F. C.↗
NASA NTRS1973

Achieving ultrahigh accuracy with a body pointing CMG/RW control system.

The purpose of the Large Space Telescope (LST) program is to place a three-meter diffraction limited telescope in a 270-nautical mile orbit in order to perform astronomical observations that are not presently possible with earth bound telescopes due to atmospheric obscuration. In order to determine whether the stringent pointing requirements could be met, a complex simulation model was defined which consisted of detailed dynamic representations of control moment gyros (CMGs) and reaction wheels including their noise characteristics, dynamic sensor representations with sensor noise, shock mounts for the CMG actuators, and a detailed flexible body structural model with all significant vehicle and solar panel bending modes. On the basis of both stability and performance studies utilizing this model, it was determined that a body pointing system will meet LST requirements.

Rybak, S. C.↗
NASA NTRS1977

Supersonic stability and control characteristics of a 0.015 scale model 69-0 of the space shuttle orbiter with forebody RSI modifications in the NASA/LaRC 4-foot UPWT (legs 1 and 2) (LA71A/B)

Investigations are reported for the determination of aerodynamic effects of reducing the thickness of the reusable surface insulation located along the sides of the shuttle orbiter in order to allow weight reduction in the nose region. Six-component aerodynamic force and moment data were obtained at Mach numbers from 1.5 to 4.6 over an angle of attack range from about -1 deg to 28 deg. Additional tests were made over an angle of sideslip range from -6 deg to 6 deg at selected angles of attack. Test results are presented in graph and tables.

Source record↗
NASA NTRS1981

Dynamics Explorer launch

Simultaneously launched from the WSMC, two satellites are to be placed into polar, copolar orbit in order to acquire data on the coupling phenomena between Earth's lower thermosphere and the magnetosphere, as part of the Solar-Terrestrial Program. The mission sequence, instruments, and science data processing system are described as well as the characteristics of the Delta 3913 launch vehicle, and payload separation staging.

Source record↗
NASA NTRS1984

Verification of the accuracy of GEM-L2 in response to criticism by Lambeck and Coleman

The objective was to evaluate the accuracy of the Goddard Earth Model (GEM)-L2 and its improvement in estimating Lageos orbits in order to provide better baselines for plate tectonics, improved polar motion and Earth rotation. Analyses and comparisons with other models are made to verify accuracy in contrast to the Lambeck and Coleman result which denied the authors' accuracy estimates. The analysis presented completely verifies the accuracy of the GEM-L2 model and disproves the statistical methods of Lambeck and Coleman rejecting the accuracy of GEM-L2 as published in their report. The baselines derived from Lageos with GEM-L2 were estimated to have a 2 cm uncertainty due to the errors in the GEM-L2 gravity model which is supported by the results given. The calibration tests indicate that the errors in GEM-L2 should be reduced by about 30 percent which is in the opposite direction to the result obtained by Lambeck and Coleman.

Lerch, F. J.↗