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Results for “Natural orbitals”

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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Orbital selective Kondo effect in heavy fermion superconductor UTe2

Abstract Heavy fermion systems emerge from the collective Kondo effect, and their superconductivity can serve as a promising platform for realizing next-generation quantum technologies. However, it has been a great challenge to explore many-body effects in heavy fermion systems with ab-initio approaches. We computed the electronic structure of UTe 2 without purposive judgements, such as intentional selection of on-site Coulomb interaction and disregarding spin-orbit coupling. We show that U-5 f electrons are highly localized in the paramagnetic normal state, giving rise to the Kondo effect. It is also found that the hybridization between U-5 f and U-6 d predominantly in the orthorhombic a b -plane is responsible for the high-temperature Kondo effect. In contrast, the hybridization between U-5 f and Te-5 p along the c -axis manifests the Kondo scattering at a much lower temperature, which could be responsible for the low-temperature upturn of the c -axis resistivity. Our results show that the electron correlation in UTe 2 is orbital selective, which naturally elucidates the recent experimental observations of anomalous temperature dependence of resistivity. Furthermore, we suggest that the Kondo effect is suppressed at high pressure owing to weak localization of magnetic moments, which results from enhanced U-5 f electron hopping. Our discovery provides significant insight toward understanding anisotropic quantum behavior including selective re-entrant superconductivity in heavy fermion UTe 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Hopping frustration-induced flat band and strange metallicity in a kagome metal

The introduction of localized electronic states into a metal can alter its physical properties, for example enabling exotic metal physics including heavy fermion and strange metal behaviour. A common source of localized states in such systems are partially filled 4f and 5f shells because of the inherently compact nature of those orbitals. The interaction of electrons in these orbitals with the conduction sea is well described by the Kondo framework. However, there have also been observations of Kondo-like behaviour in 3d transition metal oxides and in 4d- and 5d-containing van der Waals heterostructures. This calls for a broader consideration of the physical requirements for Kondo systems. Here we show transport and thermodynamic hallmarks of heavy fermion and strange metal behaviour that arise in the kagome metal Ni3In, wherein the source of localized states is destructive interference-induced band flattening of partially filled Ni 3d states. With magnetic field and pressure tuning, here we also find evidence that the system is proximate to quantum criticality, extending the analogy to f-electron Kondo lattices. These observations highlight the role of hopping frustration in metallic systems as a potential source for strong correlations. Additionally, this suggests a lattice-driven approach to realizing correlated metals with non-trivial band topology.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Unveiling the covalency of versatile Pu(iii)-N bonds in a unique plutonium(iii) complex

A trivalent plutonium–pyrazinyl–tetrazolate complex Na 2 [Pu(Hdtp)(dtp) 2 (H 2 O) 4 ]·9H 2 O (Pu_dtp, H 2 dtp = 2,3-di-1H-tetrazol-5-ylpyrazine) was synthesized through metathesis reaction of plutonium bromide and Na 2 (dtp)·2H 2 O in water. This structure is particularly notable among complexes formed by trivalent f-elements and the dtp 2− ligand in aqueous media. In contrast to other trivalent f-elements, including all Ln 3+ (with the exception of Pm 3+ ) and Cm 3+ , preferentially coordinated with eight water molecules rather than the nitrogen donors of the dtp 2− ligand, Pu 3+ exhibits a distinct affinity for nitrogen coordination. This observation provides strong evidence that the 5f electrons in Pu 3+ are more delocalized than other studied trivalent f-elements. In Pu_dtp, three distinct Pu(III)–N bonds are present: one Pu(III)–N5 from pyrazinyl, one Pu(III)–N4 from the least electronegative nitrogen in the tetrazolate, and three Pu(III)–N1/N2/N3 from the most electronegative nitrogens in the tetrazolate. Experimental Pu(III)–N bond lengths, Wiberg bond indices (WBI), natural localized molecular orbitals (NLMO), quantum theory of atoms in molecules (QTAIM), and energy decomposition analysis (EDA), reveal a covalency trend: Pu(III)–N from the most electronegative nitrogen in tetrazolate > Pu(III)–N from the least electronegative nitrogen in tetrazolate > Pu(III)–N from pyrazinyl. This trend arises from the increased negative charge on the most electronegative nitrogen atoms in the tetrazolate ring, enhancing electrostatic Pu–N1/N2/N3 interactions. These stronger electrostatic interactions lead to shorter bond lengths, thereby enhancing orbital overlap and greater covalency, compared to the less electronegative nitrogen in tetrazolate (Pu–N4) and the neutral pyrazinyl nitrogen (Pu–N5).

Bai, Zhuanling [Colorado School of Mines, Golden, ↗
DOE OSTI2021

The surroundings of the Milky Way globular cluster NGC 6809

ABSTRACT We study the outer regions of the Milky Way globular cluster NGC 6809 based on Dark Energy Camera observations, which reach nearly 6 mag below the cluster main-sequence (MS) turn-off. In order to unveil its fainter outermost structure, we built stellar density maps using cluster MS stars, once the contamination of field stars was removed from the cluster colour–magnitude diagram. We found that only the resulting stellar density map for the lightest stars exhibits some excesses of stars at opposite sides from the cluster centre that diminish soon thereafter at ∼ 0.32°.Studied globular clusters with apogalactic distances smaller than that of NGC 6809 (5.5 kpc) do not have observed tidal tails. The lack of detection of tidal tails in the studied inner globular cluster sample could be due to the reduced diffusion time of tidal tails by the kinematically chaotic nature of the orbits of these globular clusters, thus shortening the time interval during which the tidal tails can be detected. Further investigations with an enlarged cluster sample are needed to confirm whether chaotic and non-chaotic orbits are responsible for the existence of globular clusters with tidal tails and those with extra-tidal features that are different from tidal tails or without any signatures of extended stellar density profiles.

Piatti, Andrés E.↗
NASA NTRS1975

Jupiter: Giant of the solar system

Jupiter, its relationship to the other planets in the solar system, its twelve natural satellites, solar orbit and the appearance of Jupiter in the sky, and the sightings and motions of Jupiter in 1973 are discussed. Educational study projects for students are also included.

Source record↗
NASA NTRS1979

Advanced solar space missions

The space missions in solar physics planned for the next decade are similar in that they will have, for the most part, distinct, unifying science objectives in contrast to the more general 'exploratory' nature of the Orbiting Solar Observatory and Skylab/ATM missions of the 1960's and 70's. In particular, the strategy for advanced solar physics space missions will focus on the quantitative understanding of the physical processes that create and control the flow of electromagnetic and particulate energy from the sun and through interplanetary space at all phases of the current sunspot cycle No. 21. Attention is given to the Solar Maximum Mission, the International Solar Polar Mission, solar physics on an early Shuttle mission, principal investigator class experiments for future spacelabs, the Solar Optical Telescope, the Space Science Platform, the Solar Cycle and Dynamics Mission, and an attempt to send a spacecraft to within 4 solar radii of the sun's surface.

Bohlin, J. D.↗
NASA NTRS1979

Foil system fatigue load environments for commercial hydrofoil operation

The hydrofoil fatigue loads environment in the open sea is examined. The random nature of wave orbital velocities, periods and heights plus boat heading, speed and control system design are considered in the assessment of structural fatigue requirements. Major nonlinear load events such as hull slamming and foil unwetting are included in the fatigue environment. Full scale rough water load tests, field experience plus analytical loads work on the model 929 Jetfoil commercial hydrofoil are discussed. The problem of developing an overall sea environment for design is defined. State of the art analytical approaches are examined.

Graves, D. L.↗
NASA NTRS1980

Implications of cyclotron features in the X-ray spectrum of Hercules X-1

The modification of physical processes due to an intense magnetic field is investigated in order to uncover implications for X-ray spectra from binary pulsars. It is found that for large enough fields, the quantum nature of electron orbits must be taken into account, and for densities typical of binary X-ray pulsars it is found that electrons spend most of their time in the ground state. For this case, the production of cyclotron line photons following collisional excitation is estimated and the effects of the transfer of line photons through the hot plasma are considered. A line feature as narrow as reported by Truemper et al. appears unlikely. However, more recent observations allow a much broader line; in addition, a consistent absorption feature due to knock-on electrons may explain the spectral steepening at about 20 keV.

Bussard, R. W.↗
NASA NTRS1981

Infrared observations of AE Aquarii

Broadband infrared observations of the cataclysmic variable AE Aquarii are reported. The observations were obtained in the J, H, K and L filters with the InSb photometer attached to the 1-m telescope of the European Southern Observatory. The infrared energy distribution observed from 0.35 to 3.5 microns for phase 0.5 suggests a spectral type of K5 V for the secondary and a distance to the system of approximately 70 pc if an absolute magnitude of 7.3 is assumed. Monitoring of the flux at 2.2 microns reveals a variability with an amplitude of approximately 0.3 magnitude over one third of the orbital period, the nature of which is under investigation.

Tanzi, E. G.↗
NASA NTRS1985

Descent guidance and mission planning for space shuttle

The Space Shuttle descent mission planning, mission design, deorbit targeting, and entry guidance have necessarily become interrelated because of the nature of the Orbiter's design and mission requirements. The desired descent trajectory has been formulated in a drag acceleration/relative velocity state space since nearly all of the vehicle's highly constraining flight limitations can be uniquely represented in this plane. Constraints and flight requirements that affect the descent are described. The guidance logic which allows the Orbiter to follow the designed trajectory, the impacts of contingency aborts and flightcrew interaction are discussed. The mission planning and guidance techniques remain essentially unchanged through the Shuttle flight test program and subsequent operational flights.

Joosten, B. K.↗
NASA NTRS1985

Low-mass X-ray binaries

A review is given of current understanding of low-mass X-ray binaries (LMXBs), which are luminous X-ray sources composed of a late-type optical companion (mass less than about 1 solar mass) and a neutron star (or possibly a black hole). Thirty-two LMXBs have been identified with optical counterparts in the Galaxy and one in the Large Magellanic Cloud (Brad and McClintock, 1983). It is unlikely that there are more than about 100 active LMXBs in the Galaxy, compared with about 200,000 cataclysmic variables. Topics covered in the review are: typical X-ray and optical properties; orbital periods; the nature of the compact source; accretion disks; formation; mass transfer mechanisms; and globular clusters and bright bulge X-ray sources.

Mcclintock, J. E.↗
NASA NTRS1986

A review of tether induced dynamical features

The simplest mathematical model used for the simulation of TSS motion is considered in order to review the dynamics of tethers. This model is discussed. Also reviewed are elasticity effects, perturbation sources, orbit eccentricity and natural frequencies. Tethered systems provide a unique opportunity for skilled measurement activities in space. Some of the experiments envisaged require the measurement of very small mechanical quantities. This implies that the level of dynamical noise on instruments output be low or that system response to excitation, either external or internal, be sufficiently known. In this respect, the first TSS flights will be very useful, but much work will be needed in order to have reliable estimates of structural damping in different future systems.

Bergamaschi, S.↗
NASA NTRS1995

On the injection of fine dust from the Jovian magnetosphere

Using a simple aligned dipole model of the Jovian magnetic field, and exploiting integrals of the gravito-electrodynamic equation of motion of charged dust, we obtain an analytic result which characterizes the nature of the orbits of grains of different (fixed) charge-to-mass ratios launched at different velocities from different radial distances from Jupiter. This enables us to consider various possible sources of the dust-streams emanating from Jupiter which have been observed by the Ulysses spacecraft. We conclude that Jupiter's volcanically active satellite Io is the likely source, in agreement with the earlier calculations and simulations of Horanyi et al. using a detailed three-dimensional model of the Jovian magnetosphere. Our estimates of the size range and the velocity range of these dust grains are also in good agreement with those of the above authors and are within the error bars of the observations.

Maravilla, D.↗
NASA NTRS2000

Context-specific adaptation of pursuit initiation in humans

PURPOSE: To determine if multiple states for the initiation of pursuit, as assessed by acceleration in the "open-loop" period, can be learned and gated by context. METHODS: Four normal subjects were studied. A modified step-ramp paradigm for horizontal pursuit was used to induce adaptation. In an increasing paradigm, target velocity doubled 230 msec after onset; in a decreasing paradigm, it was halved. In the first experiment, vertical eye position (+/-5 degrees ) was used as the context cue, and the training paradigm (increasing or decreasing) changed with vertical eye position. In the second experiment, with vertical position constant, when the target was red, training was decreasing, and when green, increasing. The average eye acceleration in the first 100 msec of tracking was the index of open-loop pursuit performance. RESULTS: With vertical position as the cue, pursuit adaptation differed between up and down gaze. In some cases, the direction of adaptation was in exact accord with the training stimuli. In others, acceleration increased or decreased for both up and down gaze but always in correct relative proportion to the training stimuli. In contrast, multiple adaptive states were not induced with color as the cue. CONCLUSIONS: Multiple values for the relationship between the average eye acceleration during the initiation of pursuit and target velocity could be learned and gated by context. Vertical position was an effective contextual cue but not target color, implying that useful contextual cues must be similar to those occurring naturally, for example, orbital position with eye muscle weakness.

NASA Discipline Neuroscience↗
NASA NTRS2011

A New Look at the GEO and Near-GEO Regimes: Operations, Disposals, and Debris

Since 1963 more than 900 spacecraft and more than 200 launch vehicle upper stages have been inserted into the vicinity of the geosynchronous regime. Equally important, more than 300 spacecraft have been maneuvered into disposal orbits at mission termination to alleviate unnecessary congestion in the finite GEO region. However, the number of GEO satellites continues to grow, and evidence exists of a substantial small debris population. In addition, the operational modes of an increasing number of GEO spacecraft differ from those of their predecessors of several decades ago, including more frequent utilization of inclined and eccentric geosynchronous orbits. Consequently, the nature of the GEO regime and its immediate surroundings is evolving from well-known classical characteristics. This paper takes a fresh look at the GEO satellite population and the near- and far-term environmental implications of the region, including the effects of national and international debris mitigation measures.

Johnson, Nicholas↗
NASA NTRS2002

Evidence for Orbital Decay of RX J1914.4+2456: Gravitational Radiation and the Nature of the X-Ray Emission

RX J1914.4+2456 is a candidate double-degenerate binary (AM CVn) with a putative 569 s orbital period. If this identification is correct, then it has one of the shortest binary orbital periods known, and gravitational radiation should drive the orbital evolution and mass transfer if the binary is semi-detached. Here we report the results of a coherent timing study of the archival ROSAT data for RX J1914.4+2456. We performed a phase coherent timing analysis using all five ROSAT observations spanning a four-year period. We demonstrate that all the data can be phase connected, and we show that the 1.756 mHz orbital frequency is increasing at a rate of 1.5 +/- 0.4 x 10(exp -17) Hz/s consistent with the expected loss of angular momentum from the binary system via gravitational radiation. In addition to providing evidence for the emission of gravitational waves, our measurement of the orbital v(dot) constrains models for the X-ray emission and the nature of the secondary. If stable mass accretion drives the X-ray flux, then a positive v(dot) is inconsistent with a degenerate donor. A helium burning dwarf is compatible if indeed such systems can have periods as short as that of RX J1914.4+2456, an open theoretical question. Our measurement of a positive v(dot) is consistent with the unipolar induction model of Wu et al. which does not require accretion to drive the X-ray flux. We discuss how future timing measurements of RX J1914.4+2456 (and systems like it) with for example, Chandra and XMM-Newton, can provide a unique probe of the interaction between mass loss and gravitational radiation. We also discuss the importance of such measurements in the context of gravitational wave detection from space, such as is expected in the future with the LISA mission.

Strohmayer, Tod E.↗