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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Spitzer Orbit Determination During In-orbit Checkout Phase

The Spitzer Space Telescope was injected into heliocentric orbit on August 25, 2003 to observe and study astrophysical phenomena in the infrared range of frequencies. The initial 60 days was dedicated to Spitzer's "In-Orbit Checkout (IOC)" efforts. During this time high levels of Helium venting were used to cool down the telescope. Attitude control was done using reaction wheels, which in turn were de-saturated using cold gas Nitrogen thrusting. Dense tracking data (nearly continuous) by the Deep Space network (DSN) were used to perform orbit determination and to assess any possible venting imbalance. Only Doppler data were available for navigation. This paper deals with navigation efforts during the IOC phase. It includes Dust Cover Ejection (DCE) monitoring, orbit determination strategy validation and results and assessment of non-gravitational accelerations acting on Spitzer including that due to possible imbalance in Helium venting.

helium venting↗
NASA NTRS2007

The Mars Reconnaissance Orbiter Mission: From Launch to the Primary Science Orbit

The Mars Reconnaissance Orbiter (MRO) was launched from Cape Canaveral Air Force Station, Florida, USA, aboard an Atlas V-401 launch vehicle on August 12, 2005. The MRO spacecraft carries a very sophisticated scientific payload. Its primary science mission is to to provide global, regional survey, and targeted observations from a low altitude orbit for one Martian year (687 Earth days). After a seven month interplanetary transit, the spacecraft fired its six main engines and established a highly elliptical capture orbit at Mars. During the post-MOI early check-out period, four instruments acquired engineering-quality data. This was followed by five months of aerobraking operations. After aerobraking was terminated, a series of propulsive maneuvers were used to establish the desired low altitude science orbit. As the spacecraft is readied for its primary science mission, spacecraft and instrument checkout and deployment activities have continued.

orbiters↗
NASA NTRS2014

Lunar Reconnaissance Orbiter Orbit Determination Accuracy Analysis

LRO definitive and predictive accuracy requirements were easily met in the nominal mission orbit, using the LP150Q lunar gravity model. center dot Accuracy of the LP150Q model is poorer in the extended mission elliptical orbit. center dot Later lunar gravity models, in particular GSFC-GRAIL-270, improve OD accuracy in the extended mission. center dot Implementation of a constrained plane when the orbit is within 45 degrees of the Earth-Moon line improves cross-track accuracy. center dot Prediction accuracy is still challenged during full-Sun periods due to coarse spacecraft area modeling - Implementation of a multi-plate area model with definitive attitude input can eliminate prediction violations. - The FDF is evaluating using analytic and predicted attitude modeling to improve full-Sun prediction accuracy. center dot Comparison of FDF ephemeris file to high-precision ephemeris files provides gross confirmation that overlap compares properly assess orbit accuracy.

Gravitation↗
NASA NTRS2015

Orbit Determination for the Lunar Reconnaissance Orbiter Using an Extended Kalman Filter

Orbit determination (OD) analysis results are presented for the Lunar Reconnaissance Orbiter (LRO) using a commercially available Extended Kalman Filter, Analytical Graphics' Orbit Determination Tool Kit (ODTK). Process noise models for lunar gravity and solar radiation pressure (SRP) are described and OD results employing the models are presented. Definitive accuracy using ODTK meets mission requirements and is better than that achieved using the operational LRO OD tool, the Goddard Trajectory Determination System (GTDS). Results demonstrate that a Vasicek stochastic model produces better estimates of the coefficient of solar radiation pressure than a Gauss-Markov model, and prediction accuracy using a Vasicek model meets mission requirements over the analysis span. Modeling the effect of antenna motion on range-rate tracking considerably improves residuals and filter-smoother consistency. Inclusion of off-axis SRP process noise and generalized process noise improves filter performance for both definitive and predicted accuracy. Definitive accuracy from the smoother is better than achieved using GTDS and is close to that achieved by precision OD methods used to generate definitive science orbits. Use of a multi-plate dynamic spacecraft area model with ODTK's force model plugin capability provides additional improvements in predicted accuracy.

Orbit Determination↗
NASA NTRSDate not supplied

HelioSwarm: Relative Orbit Maintenance in Eccentric P/2 Lunar Resonant Orbit

Science missions employing multi-point measurements require planned and repeatable swarm geometries. Cis-lunar orbits enable heliophysics studies of solar wind but introduce new challenges in relative motion control. For a multi-satellite swarm in lunar-resonant orbit, insertion and maintenance maneuvers address orbit eccentricity and evolution, as well as three-body gravitational perturbations. Local Velocity-Normal-Conormal coordinates prove to be an effective framework for relative motion design and control. Parametric studies investigate maneuver placement efficiency in controlling relative motion in cis-lunar orbit.

Relative Motion↗
NASA NTRSDate not supplied

Orbit Determination for the James Webb Space Telescope During Launch and Early Orbit

The NASA James Webb Space Telescope (JWST) mission successfully launched on December 25, 2021, at 12:20 UTC. This paper details several novel challenges encountered in the orbit determination (OD) of JWST during the launch and early orbit. The first OD solution used only 6.5 hours of tracking data, much less than the 24 hours of data usually required for libration orbiters on an outbound trajectory. In addition, the observatory area exposed to solar radiation pressure changed through a series of sunshield deployments while concurrent momentum unloads and attitude telemetry outages occurred. This paper covers how the Flight Dynamics Team (FDT) prepared for these challenges, how these challenges were handled on-orbit, and the performance of the resulting OD solutions.

Orbit Determination↗
NASA NTRSDate not supplied

Orbit Determination For The James Webb Space Telescope During Launch And Early Orbit

The NASA James Webb Space Telescope (JWST) mission successfully launched on December 25, 2021, at 12:20 UTC. This paper details several novel challenges encountered in the orbit determination (OD) of JWST during the launch and early orbit. The first OD solution used only 6.5 hours of tracking data, much less than the 24 hours of data usually required for libration orbiters on an outbound trajectory. In addition, the observatory area exposed to solar radiation pressure changed through a series of sunshield deployments while concurrent momentum unloads and attitude telemetry outages occurred. This paper covers how the Flight Dynamics Team (FDT) prepared for these challenges, how these challenges were handled on-orbit, and the performance of the resulting OD solutions.

Orbit Determination↗
DOE OSTI2020

Optimal Orbital Selection for Full Configuration Interaction (OptOrbFCI): Pursuing the Basis Set Limit under a Budget

Full configuration interaction (FCI) solvers are limited to small basis sets due to their expensive computational costs. An optimal orbital selection for FCI (OptOrbFCI) is proposed to boost the power of existing FCI solvers to pursue the basis set limit under a computational budget. The optimization problem coincides with that of the complete active space SCF method (CASSCF), while OptOrbFCI is algorithmically quite different. OptOrbFCI effectively finds an optimal rotation matrix via solving a constrained optimization problem directly to compress the orbitals of large basis sets to one with a manageable size, conducts FCI calculations only on rotated orbital sets, and produces a variational ground-state energy and its wave function. Coupled with coordinate descent full configuration interaction (CDFCI), we demonstrate the efficiency and accuracy of the method on the carbon dimer and nitrogen dimer under basis sets up to cc-pV5Z. We also benchmark the binding curve of the nitrogen dimer under the cc-pVQZ basis set with 28 selected orbitals, which provide consistently lower ground-state energies than the FCI results under the cc-pVDZ basis set. Furthermore, the dissociation energy in this case is found to be of higher accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin–Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory

Quantum mechanical calculations of core electron binding energies (CEBEs) are relevant to interpreting X-ray photoelectron spectroscopy (XPS). Orbital-optimized density functional theory (OO-DFT) accurately predicts K-edge CEBEs but is challenged by the presence of significant spin–orbit coupling (SOC) at L- and higher edges involving inner-shell orbitals with nonzero angular momentum. Here, to extend OO-DFT to L-edges and higher, our method utilizes scalar-relativistic, spin-restricted open-shell OO-DFT to construct a minimal, quasi-degenerate basis of core-hole states corresponding to a chosen inner-shell (e.g., ionizing all six possible 2p spin orbitals). Nonorthogonal configuration interaction (NOCI) is then used to obtain the matrix elements of the full Hamiltonian including SOC in this quasi-degenerate model space of determinants. Using a screened 1-electron SOC operator parametrized with the Dirac-Coulomb-Breit (DCB) Hamiltonian results in doublet splitting (DS) values for third row elements that are nearly in quantitative agreement with experiment. The resulting NOCI eigenvalues are shifted by the average of the (scalar) OO-DFT CEBEs to yield CEBEs (split by SOC) corrected for dynamic correlation. Comparing calculations on gas phase molecules with experimental results establishes that NO-QDPT with the SCAN functional (NO-QDPT/SCAN), using the DCB screened 1-electron SOC operator is accurate to about 0.2 eV for L-edge CEBEs of molecules containing third row atoms. However, this NO-QDPT approach becomes less accurate for fourth-row elements starting in the middle of the 3d transition metal series, with errors increasing as atomic number increases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

On the Question of the Total Energy in the Fermi–Löwdin Orbital Self-Interaction Correction Method

The Fermi-Löwdin orbital self-interaction correction (FLOSIC) formalism is a novel method for implementing the Perdew-Zunger self-interaction correction (PZ-SIC) in density functional theory calculations. In this paper we consider how the use of Fermi orbitals affects total energies and other calculated properties compared to a standard approach to PZ-SIC that utilizes the localization equation conditions. Here, we directly compare the results of the two methods using identical basis sets and numerical techniques in calculations for isolated atoms up to Kr and for a large test set of molecules. We find differences in total energies that increase with increasing atomic number and show that these differences can be traced to a less negative SIC correction for the 1s orbital in FLOSIC. Importantly, energies for highest occupied orbitals and molecular atomization energies are nearly identical in the two methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Controlling the polarization and vortex charge of attosecond high-harmonic beams via simultaneous spin–orbit momentum conservation

Optical interactions are governed by both spin and angular momentum conservation laws, which serve as a tool for controlling light–matter interactions or elucidating electron dynamics and structure of complex systems. Here, we uncover a form of simultaneous spin and orbital angular momentum conservation and show, theoretically and experimentally, that this phenomenon allows for unprecedented control over the divergence and polarization of extreme-ultraviolet vortex beams. High harmonics with spin and orbital angular momenta are produced, opening a novel regime of angular momentum conservation that allows for manipulation of the polarization of attosecond pulses—from linear to circular—and for the generation of circularly polarized vortices with tailored orbital angular momentum, including harmonic vortices with the same topological charge as the driving laser beam. As a result, our work paves the way to ultrafast studies of chiral systems using high-harmonic beams with designer spin and orbital angular momentum.

High-harmonic generation↗
DOE OSTI2020

Spin-orbit-controlled metal–insulator transition in Sr 2 IrO 4

In the context of correlated insulators, where electron–electron interactions (U) drive the localization of charge carriers, the metal–insulator transition is described as either bandwidth- or filling-controlled. Motivated by the challenge of the insulating phase in Sr 2 IrO 4 , a new class of correlated insulators has been proposed, in which spin–orbit coupling (SOC) is believed to renormalize the bandwidth of the half-filled j eff = 1/2 doublet, allowing a modest U to induce a charge-localized phase. Although this framework has been tacitly assumed, a thorough characterization of the ground state has been elusive. Furthermore, direct evidence for the role of SOC in stabilizing the insulating state has not been established, because previous attempts at revealing the role of SOC have been hindered by concurrently occurring changes to the filling. Here, we overcome this challenge by employing multiple substituents that introduce well-defined changes to the signatures of SOC and carrier concentration in the electronic structure, as well as a new methodology that allows us to monitor SOC directly. Specifically, we study Sr 2 Ir 1-x T x O 4 (T = Ru, Rh) by angle-resolved photoemission spectroscopy, combined with ab initio and supercell tight-binding calculations. This allows us to distinguish relativistic and filling effects, thereby establishing conclusively the central role of SOC in stabilizing the insulating state of Sr 2 IrO 4 . Most importantly, we estimate the critical value for SOC in this system to be λ c = 0.42 ± 0.01 eV, and provide the first demonstration of a spin–orbit-controlled metal–insulator transition.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Identifying a descriptor for d-orbital delocalization in cathodes of Li batteries based on x-ray Compton scattering

We discuss how x-ray Compton scattering spectra can be used for investigating the evolution of electronic states in cathode materials of Li batteries under the lithiation/delithiation process. In particular, our analysis of the Compton spectra taken from polycrystalline Li{sub x}CoO{sub 2} samples shows that the spectra are dominated by the contribution of the O-2p redox orbital. We identify a distinct signature of d-orbital delocalization, which is tied directly to the conductivity of the material, providing a descriptor based on Compton spectra for monitoring the lithiation range with improved conductivity and kinetics for electrochemical operation. Our study demonstrates that Compton scattering spectroscopy can provide a window for probing complex electronic mechanisms underlying the charging and discharging processes in Li-battery materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Density matrix renormalization group study of a three-orbital Hubbard model with spin-orbit coupling in one dimension

Using the density matrix renormalization group technique we study the effect of spin-orbit coupling on a three-orbital Hubbard model in the (t 2 g ) 4 sector and in one dimension. Fixing the Hund coupling to a robust value compatible with some multiorbital materials, we present the phase diagram varying the Hubbard U and spin-orbit coupling λ, at zero temperature. Our results are shown to be qualitatively similar to those recently reported using the dynamical mean-field theory in higher dimensions, providing a robust basis to approximate many-body techniques. Among many results, we observe an interesting transition from an orbital-selective Mott phase to an excitonic insulator with increasing λ at intermediate U. In the strong U coupling limit, we find a nonmagnetic insulator with an effective angular momentum <(J eff ) 2 >≠0 near the excitonic phase, smoothly connected to the <(J eff ) 2 >=0 regime. In conclusion, we also provide a list of quasi-one-dimensional materials where the physics discussed in this paper could be realized.

36 MATERIALS SCIENCE↗