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At least 613 records · Page 34

On the use of corresponding orbitals in the calculation of nonorthogonal transition moments

Full valence and first-order CI wave functions are invariant with respect to unitary transformations among the valence orbitals. We exploit this degree of freedom and show that by transforming the valence orbitals into a corresponding orbital basis, nonorthogonal transition moment calculations become an easily managed task. Sample full valence calculations on several states of O2(+) and OF are also presented.

Lengsfield, B. H., III↗

Eclipse Mitigation Strategies in P/2 Lunar Resonant Orbits

Lunar resonant orbits present several important challenges in terms of trajectory design, insertion, stability and eclipse mitigation. For some mission concepts, the placement of the initial orbital elements is fundamental to overcoming show-stopping performance values such as eclipse duration and orbit lifetime. Lunar resonant orbits need to maintain specific alignments in order to avoid undesired flybys or even recontact with Earth or GEO satellites. This paper presents methods to mitigate long eclipses while preserving achievable lunar resonant orbits that persist in the long term.

Eclipse Mitigation↗

The application of Encke's method to long arc orbit determination solutions

The Laser Geodynamics Satellite (LAGEOS) was launched on May 4, 1976 to provide geophysical measurements by means of laser ranging techniques. To date, over twelve years of laser range measurements have been collected from various tracking stations located around the world. Laser range measurements to LAGEOS have contributed to studies of earth rotation, plate tectonics, global baseline, and the gravity field as well as many other areas. Some of these studies are based upon the determination of a single, continuous orbit for LAGEOS for time spans on the order of several years. Current studies at the University of Texas Center for Space Research include the precision orbit determination of LAGEOS for arc lengths of up to 12.8 years which represents over 31,000 orbital revolutions. These long arc studies have led to the implementation of Encke's method to improve the convergence of the batch filter while reducing numerical integration errors. While the technique has been successfully applied to arc lengths of up to 12.8 years, the results presented focus on the solution of a six-year arc.

Lundberg, J. B.↗

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↗

Space radiation incident on SATS missions

A special orbital radiation study was conducted in order to evaluate mission encountered energetic particle fluxes. This information is to be supplied to the project subsystem engineers for their guidance in designing flight hardware to withstand the expected radiation levels. Flux calculations were performed for a set of 20 nominal trajectories placed at several altitudes and inclinations. Temporal variations in the ambient electron environment were considered and partially accounted for. Magnetic field calculations were performed with a current field model, extrapolated to the tentative SATS launch epoch with linear time terms. Orbital flux integrations ware performed with the latest proton and electron environment models, using new computational methods. The results are presented in graphical and tabular form. Estimates of energetic solar proton fluxes are given for a one year mission at selected integral energies ranging from 10 to 100 Mev, calculated for a year of maximum solar activity during the next solar cycle.

Stassinopoulos, E. G.↗

Symmetry, microscopy and spectroscopy signatures of altermagnetism

The recent discovery of altermagnetism was in part motivated by the research of compensated magnets towards highly scalable spintronic technologies. Simultaneously, altermagnetism shares the anisotropic higher-partial-wave nature of ordering with unconventional superfluid phases, which have been at the forefront of research for the past several decades. These examples illustrate the interest in altermagnetism from a broad range of science and technology perspectives. Here we review the symmetry, microscopy and spectroscopy signatures of altermagnetism. We describe the spontaneously broken and retained symmetries that delineate altermagnetism as a distinct phase of matter with d-, g- or i-wave compensated collinear spin ordering. In materials ranging from weakly interacting metals to strongly correlated insulators, the microscopic crystal-structure realizations of the altermagnetic symmetries feature a characteristic ferroic order of anisotropic higher-partial-wave components of atomic-scale spin densities. These symmetry and microscopy signatures of altermagnetism are directly reflected in spin-dependent electronic spectra and responses. Here, we review salient band-structure features originating from the altermagnetic ordering, and from its interplay with spin–orbit coupling and topological phenomena. Throughout, we compare altermagnetism with traditional ferromagnetism and Néel antiferromagnetism, and with magnetic phases with symmetry-protected compensated non-collinear spin orders. We accompany the theoretical discussions with references to relevant experiments.

Jungwirth, Tomas [Czech Academy of Sciences, Pragu↗

Nonlinear estimation theory applied to the interplanetary orbit determination problem.

The performance of a second order filter which is identical to the algorithm developed by Athans et al. (1968) for the scalar case is evaluated through numerical simulation of a Jupiter flyby mission. The observations used in the simulation are on-board measurements of the angle between Jupiter and a fixed star taken at discrete time intervals. In the numerical study, the influence of each of the second order terms is evaluated.

Tapley, B. D.↗

Analytic construction of periodic orbits about the collinear points

A third-order analytical solution for halo-type periodic motion about the collinear points of the circular-restricted problem is presented. The three-dimensional equations of motion are obtained by a Lagrangian formulation. The solution is constructed using the method of successive approximations in conjunction with a technique similar to the Lindstedt-Poincare method. The theory is applied to the sun-earth system.

Richardson, D. L.↗

Magnetic properties of Tm 3+ in layered triangular lattices

Rare-earth chalcogenides, ARCh 2 (A = alkali metal or monovalent ion; R = rare-earth elements; Ch = O, S, and Se), have been identified as promising candidates for exploring a variety of novel frustrated quantum magnetic phenomena. Tm-based series, ATmCh 2 , where Tm 3+ ions are arranged on various frustrated geometric lattices, provide a platform for investigating the competitions among spin–orbit coupling, crystal field effects, and magnetic exchange interactions in the context of geometric frustration. In this study, we present how the crystallographic structures of newly synthesized ATmSe 2 (A = Li and Na) influence their frustrated magnetic behaviors. Both NaTmSe 2 and LiTmSe 2 adopt a delafossite-type structure with a two-dimensional (2D) triangular lattice, but LiTmSe 2 has a much shorter c-axis parameter compared to this in NaTmSe 2 . Both heat capacity and magnetic susceptibility measurements confirm the absence of long-range magnetic order in either compound. However, magnetic measurements data reveals the differences in magnetic interactions: NaTmSe 2 exhibits features of low-dimensional magnetism, likely driven by its layered crystal structure, compared to LiTmSe 2 .

Crystal field theory↗

Orbital Selectivity in Electron Correlations and Superconducting Pairing of Iron-Based Superconductors

Electron correlations play a central role in iron-based superconductors. In these systems, multiple Fe 3 d -orbitals are active in the low-energy physics, and they are not all degenerate. For these reasons, the role of orbital-selective correlations has been an active topic in the study of the iron-based systems. In this article, we survey the recent developments on the subject. For the normal state, we emphasize the orbital-selective Mott physics that has been extensively studied, especially in the iron chalcogenides, in the case of electron filling n ∼ 6 . In addition, the interplay between orbital selectivity and electronic nematicity is addressed. For the superconducting state, we summarize the initial ideas for orbital-selective pairing and discuss the recent explosive activities along this direction. We close with some perspectives on several emerging topics. These include the evolution of the orbital-selective correlations, magnetic and nematic orders, and superconductivity as the electron filling factor is reduced from 6 to 5, as well as the interplay between electron correlations and topological band structure in iron-based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Second-Order Josephson Effect in Excitonic Insulators

We show that in electron-hole bilayers with excitonic orders arising from conduction and valence bands formed by atomic orbitals that have different parities, nonzero interlayer tunneling leads to a second-order Josephson effect. This means the interlayer electrical current is related to the phase of the excitonic order parameter as J = J c sin 2θ instead of J = J c sin θ and that the system has two degenerate ground states at θ = 0, π that can be switched by an interlayer voltage pulse. When generalized to a three dimensional stack of alternating electron-hole planes or a two dimensional stack of chains, the ac Josephson effect implies that electric field pulses perpendicular to the layers and chains can steer the order parameter phase between the two degenerate ground states, making these devices ultrafast memories. Here, the order parameter steering also applies to the excitonic insulator candidate Ta 2 NiSe 5 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Bounded motion design in the Earth zonal problem using differential algebra based normal form methods

Establishing long-term relative bounded motion between orbits in perturbed dynamics is a key challenge in astrodynamics to enable cluster flight with minimum propellant expenditure. Herein, we present an approach that allows for the design of long-term relative bounded motion considering a zonal gravitational model. Entire sets of orbits are obtained via high-order Taylor expansions of Poincarè return maps about reference fixed points. The high-order normal form algorithm is used to determine a change in expansion variables of the map into normal form space, in which the phase space behavior is circular and can be easily parameterized by action–angle coordinates. The action–angle representation of the normal form coordinates is then used to parameterize the original Poincarè return map and average it over a full phase space revolution by a path integral along the angle parameterization. As a result, the averaged nodal period and drift in the ascending node are obtained, for which the bounded motion conditions are straightforwardly imposed. Sets of highly accurate bounded orbits are obtained, extending over several thousand kilometers, and valid for decades.

79 ASTRONOMY AND ASTROPHYSICS↗

Orbital Debris Ontology, Terminology, and Knowledge Modeling

The looming threat orbital debris poses to assets in orbit demands solutions. As the orbital population grows, so does this hazard, but so does the sea of data. The problem is also an opportunity for interdisciplinary innovation and cooperation. This paper focuses on the data and information management aspect of developing solutions for a sustainable and safe orbital space environment. The corresponding author’s in-progress work to develop an orbital debris domain ontology is summarized in order to discuss knowledge modeling for this domain. Methodological approaches of this effort can also contribute to standards efforts and address terminological and policy questions. Leveraging the growing volumes of orbital debris and space situational awareness (SSA) data will create a more complete picture of the orbital space environment. Part of the solution will be: consistent and correct data interpretation, sharing orbital debris and SSA data in one form or another, terminology development & harmonization, and knowledge or domain modeling. To facilitate this, [Rovetto, 2015/16] discussed ontology development for the orbital debris domain. This paper lists concepts from that paper, and subsequently developed concepts [2-9]. Ontology engineering is an interdisciplinary field related to knowledge representation and reasoning in artificial intelligence, semantic technologies and the so-called semantic web. An ontology is effectively a computable and semantically rich terminology that presents a knowledge or domain model for a topic area. Expressions of knowledge or assertions are stored using formally defined term. This knowledge base is reasoned over to yield answers to queries, among other things. Ontologies have been developed in knowledge-based projects across various disciplines, and used for such things as search engines, chatbots, enterprise knowledge graphs, etc. Ontologies support: interoperability, automated reasoning, data sharing and integration, data search and retrieval, and communicating the meaning of data. The Orbital Debris Ontology (ODO), and related ontologies [Rovetto & Kelso 2016] [Rovetto 2016, 2017], were proposed to help achieve this. ODO, for instance, is intended as a domain ontology that can be used across federated databases, offering an explicitly specified set of concepts describing the orbital debris domain. Its meaning-rich taxonomy will provide a sharable semantics for orbital debris data to, in part, consistently communicate the meaning of data to both humans and machines, and tag data elements in space object catalogs to help afford inference tasks, decision support, knowledge discovery, and information integration. ODO and the SSA ontology (SSAO) is part of the overall Orbital Space Domain Ontology concept, which is conceived as a broader domain reference ontology. It aims to provide a knowledge representation structure of the orbital space environment, a common semantic model, and develop a sharable terminology. Collectively this will provide common meaning for datasets, a high-level taxonomy or classification for orbital space objects, and thus means to characterize space objects. Ongoing efforts have included using visualizations, R, JSON-LD, and contemporary semantic technologies. Potential applications and interdisciplinary partnerships include web-based platforms, web apps, visualizations, and academia projects. Community input and participation may yield a more widely understood domain model as well as facilitate terminological standards. For example, the proposed conceptual, terminological and ontological analysis may contribute to such efforts as the Space Debris Mitigation Requirements in the International Standards Organization by developing more precise, consistent and coherent terms and definitions. Projects that seek to develop in-house ontologies can use ODO and related ontologies as domain reference ontologies. This paper was developed independent of author affiliations. Readers are encouraged to contact corresponding author(1) with general interest and potential opportunities to support or realize the described project.

Robert J. Rovetto↗

Resonant inelastic x-ray scattering investigation of Hund's and spin-orbit coupling in 5 d 2 double perovskites

𝐵 site ordered 5⁢𝑑 2 double perovskites (𝐴 2 ⁢𝐵⁢𝐵′⁢O 6 , 𝐵′ = 5⁢𝑑 2 ) display a remarkable range of physical properties upon variation of the chosen 𝐵 and 𝐵′ site ions. This sensitivity to chemical substitution reflects the delicate balance and profound impact of strong electronic correlation and spin-orbit coupling in such systems. Here, we present rhenium 𝐿 2 and 𝐿 3 resonant inelastic x-ray scattering (RIXS) measurements of two such physically dissimilar materials, Mott-insultating Ba 2⁢ Y⁢Re⁢O 6 and semiconducting Sr 2⁢ Cr⁢Re⁢O 6 . Despite these differences, our RIXS results reveal similar energy scales of Hund's (𝐽 𝐻 ) and spin-orbit coupling (𝜁) in the two materials, with both systems firmly in the intermediate Hund's coupling regime where 𝐽 𝐻 /𝜁∼1. However, there are clear differences in their RIXS spectra. The conductive character of Sr 2⁢ Cr⁢Re⁢O 6 broadens and obfuscates the atomic transitions within an electron-hole continuum, while the insulating character of Ba 2 ⁢Y⁢Re⁢O 6 results in sharp atomic excitations. This contrast in their RIXS spectra despite their similar energy scales reflects a difference in the itinerancy-promoting hopping integral and illustrates the impact of the local crystal environment in double perovskites. Finally, 𝐿 2 and 𝐿 3 edge analyses of the atomic excitations in Ba 2 ⁢Y⁢Re⁢O 6 reveal that the ordering of the low lying excited states is inverted compared to previous reports, such that the appropriate energy scales of Hund's and spin-orbit coupling are significantly modified. We present exact diagonalization calculations of the RIXS spectra at both edges which show good agreement with our results for new energy scales of 𝜁 = 0.290⁢(5)⁢eV and 𝐽 𝐻 = 0.38⁢(2)⁢eV [𝐽 𝐻 /𝜁 = 1.30⁢(5)].

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Thermal Modeling of Mars Ground for Surface Missions

Thermal analysis packages are capable of including ground temperature effects for orbital and surface thermal analyses. In particular, Thermal Desktop® offers the option of specifying ground temperatures as a function of time for planetary surface modeling. While suitable for many cases, this approach is not sufficient if an object has local interactions with the ground that could significantly affect the ground temperature. Ground modeling is necessary for the Mars 2020 rover thermal design and analysis since shadowing and heat dissipation from the rover’s Multi-Mission Radioisotope Thermoelectric Generator (MMRTG) can result in significant temperature deviations of the local ground. The Mars 2020 thermal team is explicitly modeling the Martian ground so that these local temperature effects can be captured. The upper portion of the ground is modeled, and material and optical properties of the ground are varied in order to match data collected from orbiting science instruments. Atmospheric surface temperature, sky temperatures, and solar loads from a Mars General Circulation Model (GCM) are used as boundary conditions, resulting in a ground surface temperature profile consistent with the GCM predictions. The rover model is then placed on this modeled ground so that the effects of shadowing and MMRTG dissipation on the ground temperature can be captured.

Farias, Edgardo↗

On-orbit refueling

During the past decade, both NASA and the DOD have conducted numerous space servicing studies. These studies have shown that fluid resupply of on-orbit spacecraft is feasible and would allow for extended spacecraft utilization. In order to prove that the studies have validity, an on-orbit flight demonstration of automatic fluid resupply is required. To embark on this flight demonstration, the system concepts, operational procedures, and conceptual service and target vehicles must be identified. Hernandez Engineering, Inc. (HEI), under the direction of the Space Servicing System Project Office of the NASA/JSC New Initiatives Office, has conducted a systems engineering and integration study. The study objective was to develop preliminary concepts for a flight demonstration of automatic rendezvous, proximity operations, capture, and fluid transfer utilizing servicer and target vehicles. The results show that a servicer vehicle/target kit can be launched to orbit with an ELV and automatically rendezvous and dock with the explorer platform (EP). The servicer vehicle can then separate from the EP/kit, perform proximity maneuvers, redock with the EP/kit, and perform fluid transfer operations. After the on-orbit flight demonstration is completed, the servicer/kit can be separated from the EP and be deorbited into the Earth's atmosphere.

Moore, James S.↗

A comparison of the X-ray properties of X Persei and Gamma Cassiopeiae

The greater than 0.0001 solar mass/year loss rates required to power X-ray sources, if associated compact objects are white dwarfs, are many orders of magnitude greater than even the highest estimates for the main sequence Be stars Chi Per and Gamma Cas, confirming that the compact objects in these systems are neutron stars. While observed mass loss rates are of the order of that required to power the X-ray emission from a neutron star, X-ray measurements have established rates at least an order of magnitude above UV estimates, supporting earlier suggestions of an inclination dependence in the mass loss from rapidly rotating main sequence OB stars which results in mass loss rates in the orbital plane that are at least one order of magnitude higher, or terminal velocities that are at least a factor of 2.0 lower, than is indicated by UV measurements.

White, N. E.↗

Martian rampart craters: Morphologic clues for the physical state of the target at time of impact

Current research attempts to describe morphologic features seen in very high resolution Viking Orbiter images of crater ejecta blankets and interiors, in order to constrain the most likely target properties at the time of crater formation. The Viking Orbiter image data set contains approximately 400 frames at a spatial resolution of better than 10 meters per pixel, and 2,200 frames at a resolution of better than 20 meters per pixel, for which the atmosphere was either clear or only slightly obscured. A search is being conducted of all these images and so far has revealed several examples of both interior and exterior features of impact craters that bear on the nature of the ejecta fluidizing medium. Preliminary observations and speculations on the physical state of the Martian regolith at the time of crater formation are given and briefly discussed.

Mouginis-Mark, Peter J.↗