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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

NASCAP/LEO calculations of current collection

NASCAP/LEO is a 3-dimensional computer code for calculating the interaction of a high-voltage spacecraft with the cold dense plasma found in Low Earth Orbit. Although based on a cubic grid structure, NASCAP/LEO accepts object definition input from standard computer aided design (CAD) programs so that a model may be correctly proportioned and important features resolved. The potential around the model is calculated by solving the finite element formulation of Poisson's equation with an analytic space charge function. Five previously published NASCAP/LEO calculations for three ground test experiments and two space flight experiments are presented. The three ground test experiments are a large simulated panel, a simulated pinhole, and a 2-slit experiment with overlapping sheaths. The two space flight experiments are a solar panel biased up to 1000 volts, and a rocket-mounted sphere biased up to 46 kilovolts. In all cases, the authors find good agreement between calculation and measurement.

Mandell, Myron J.↗
NASA NTRS1992

Optimal Trajectories For Orbital Transfers Using Low And Medium Thrust Propulsion Systems

For many problems it is reasonable to expect that the minimum time solution is also the minimum fuel solution. However, if one allows the propulsion system to be turned off and back on, it is clear that these two solutions may differ. In general, high thrust transfers resemble the well-known impulsive transfers where the burn arcs are of very short duration. The low and medium thrust transfers differ in that their thrust acceleration levels yield longer burn arcs which will require more revolutions, thus making the low thrust transfer computational intensive. Here, we consider optimal low and medium thrust orbital transfers.

Cobb, Shannon S.↗
DOE OSTI2016

Constraints on methane emissions in North America from future geostationary remote-sensing measurements

The success of future geostationary (GEO) satellite observation missions depends on our ability to design instruments that address their key scientific objectives. Here, an Observation System Simulation Experiment (OSSE) is performed to quantify the constraints on methane (CH 4 ) emissions in North America obtained from shortwave infrared (SWIR), thermal infrared (TIR), and multi-spectral (SWIR+TIR) measurements in geostationary orbit and from future SWIR low-Earth orbit (LEO) measurements. Furthermore, we used an efficient stochastic algorithm to compute the information content of the inverted emissions at high spatial resolution (0.5° × 0.7°) in a variational framework using the GEOS-Chem chemistry-transport model and its adjoint. Our results show that at sub-weekly timescales, SWIR measurements in GEO orbit can constrain about twice as many independent flux patterns than in LEO orbit, with a degree of freedom for signal (DOF) for the inversion of 266 and 115, respectively. Comparisons between TIR GEO and SWIR LEO configurations reveal that poor boundary layer sensitivities for the TIR measurements cannot be compensated for by the high spatiotemporal sampling of a GEO orbit. The benefit of a multi-spectral instrument compared to current SWIR products in a GEO context is shown for sub-weekly timescale constraints, with an increase in the DOF of about 50 % for a 3-day inversion. Our results further suggest that both the SWIR and multi-spectral measurements on GEO orbits could almost fully resolve CH 4 fluxes at a spatial resolution of at least 100 km × 100 km over source hotspots (emissions > 4 × 10 5 kg day -1 ). The sensitivity of the optimized emission scaling factors to typical errors in boundary and initial conditions can reach 30 and 50 % for the SWIR GEO or SWIR LEO configurations, respectively, while it is smaller than 5 % in the case of a multi-spectral GEO system. Our results demonstrate that multi-spectral measurements from a geostationary satellite platform would address the need for higher spatiotemporal constraints on CH 4 emissions while greatly mitigating the impact of inherent uncertainties in source inversion methods on the inferred fluxes.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1977

Electrical power requirements analysis. Single failure tolerant entry

The results of an analysis of the orbiter electrical power system for the case of a single failure tolerant (SFT) entry are presented. The analysis was performed using the shuttle electrical power system analysis computer program. It was performed to permit assessment of the capability of the orbiter systems to support the proposed entry configuration and to provide the data necessary to identify potential constraints and limitations. Three contingency modes have been identified which would require an SFT entry. This analysis addresses an SFT entry resulting from the loss of two fuel cell powerplants, while on orbit. The results of the analysis indicate that, even under near optimum conditions, the fuel cell power demand will exceed the tested operating capacity of 16 kw, and that various electrical components may experience voltages below 24 VDC.

Pipher, M. D.↗
NASA NTRS1976

Effects of surface temperature and Reynolds number on heat transfer to the Shuttle Orbiter leeward fuselage

Heat-transfer data obtained at hypersonic shock tunnel conditions and three-dimensional flow field computations were used to study the influence of surface temperature and Reynolds number on the heating experienced by the leeward fuselage area of the Space Shuttle Orbiter configuration. The basic results of this study indicate that systematic variations in the average total enthalpy within a boundary layer (as obtained through controlled nonadiabatic processes) has an influence on the heat transfer to downstream areas which can be correlated; even in three-dimensional separated flow areas. Specifically, the average separated-flow Stanton number for the fuselage leeward surface is shown to be moderately dependent on the windward-wall to free-stream total temperature ratio.

Bertin, J. J.↗
NASA NTRS1991

Secular perturbation theory and computation of asteroid proper elements

A new theory for the calculation of proper elements is presented. This theory defines an explicit algorithm applicable to any chosen set of orbits and accounts for the effect of shallow resonances on secular frequencies. The proper elements are computed with an iterative algorithm and the behavior of the iteration can be used to define a quality code.

Milani, Andrea↗
NASA NTRS1993

SeaTrack: Ground station orbit prediction and planning software for sea-viewing satellites

An orbit prediction software package (Sea Track) was designed to assist High Resolution Picture Transmission (HRPT) stations in the acquisition of direct broadcast data from sea-viewing spacecraft. Such spacecraft will be common in the near future, with the launch of the Sea viewing Wide Field-of-view Sensor (SeaWiFS) in 1994, along with the continued Advanced Very High Resolution Radiometer (AVHRR) series on NOAA platforms. The Brouwer-Lyddane model was chosen for orbit prediction because it meets the needs of HRPT tracking accuracies, provided orbital elements can be obtained frequently (up to within 1 week). Sea Track requires elements from the U.S. Space Command (NORAD Two-Line Elements) for the satellite's initial position. Updated Two-Line Elements are routinely available from many electronic sources (some are listed in the Appendix). Sea Track is a menu-driven program that allows users to alter input and output formats. The propagation period is entered by a start date and end date with times in either Greenwich Mean Time (GMT) or local time. Antenna pointing information is provided in tabular form and includes azimuth/elevation pointing angles, sub-satellite longitude/latitude, acquisition of signal (AOS), loss of signal (LOS), pass orbit number, and other pertinent pointing information. One version of Sea Track (non-graphical) allows operation under DOS (for IBM-compatible personal computers) and UNIX (for Sun and Silicon Graphics workstations). A second, graphical, version displays orbit tracks, and azimuth-elevation for IBM-compatible PC's, but requires a VGA card and Microsoft FORTRAN.

Lambert, Kenneth S.↗
DOE OSTI2025

SSAPy - Space Situational Awareness for Python

SSAPy is a fast and flexible orbit modeling and analysis tool for orbits spanning from low-Earth into the cislunar regime. Orbits can be flexibly specified from common input formats such as Keplerian elements or two-line element (TLE) data files. SSAPy allows users to model satellites and specify parameters such as satellite area, mass, and drag coefficients. SSAPy includes a customizable force-propagation with a range of Earth, Lunar, radiation, atmospheric, and maneuvering models. SSAPy makes use of various community integration methods and can calculate time-evolved orbital quantities, including satellite magnitudes and state vectors. Users can specify various space- and ground-based observation models with support for multiple coordinate and reference frames. SSAPy also supports orbit analysis and propagation methods such as multiple hypothesis tracking and has built-in uncertainty quantification. The majority of SSAPy’s methods are vectorized and parallelizable, allowing for effective use of high-performance computer (HPC) systems. Finally, SSAPy has plotting functionality, allowing users to visualize orbits and trajectories. Examples are shown in Figure 1 and Figure 2.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Discontinuous Galerkin discretization for quantum simulation of chemistry

All-electron electronic structure methods based on the linear combination of atomic orbitals method with Gaussian basis set discretization offer a well established, compact representation that forms much of the foundation of modern correlated quantum chemistry calculations—on both classical and quantum computers. Despite their ability to describe essential physics with relatively few basis functions, these representations can suffer from a quartic growth of the number of integrals. Recent results have shown that, for some quantum and classical algorithms, moving to representations with diagonal two-body operators can result in dramatically lower asymptotic costs, even if the number of functions required increases significantly. We introduce a way to interpolate between the two regimes in a systematic and controllable manner, such that the number of functions is minimized while maintaining a block-diagonal structure of the two-body operator and desirable properties of an original, primitive basis. Techniques are analyzed for leveraging the structure of this new representation on quantum computers. Empirical results for hydrogen chains suggest a scaling improvement from O(N 4.5 ) in molecular orbital representations to O(N 2.6 ) in our representation for quantum evolution in a fault-tolerant setting, and exhibit a constant factor crossover at 15 to 20 atoms. Moreover, we test these methods using modern density matrix renormalization group methods classically, and achieve excellent accuracy with respect to the complete basis set limit with a speedup of 1–2 orders of magnitude with respect to using the primitive or Gaussian basis sets alone. These results suggest our representation provides significant cost reductions while maintaining accuracy relative to molecular orbital or strictly diagonal approaches for modest-sized systems in both classical and quantum computation for correlated systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2009

Trends in MODIS Geolocation Error Analysis

Data from the two MODIS instruments have been accurately geolocated (Earth located) to enable retrieval of global geophysical parameters. The authors describe the approach used to geolocate with sub-pixel accuracy over nine years of data from M0DIS on NASA's E0S Terra spacecraft and seven years of data from MODIS on the Aqua spacecraft. The approach uses a geometric model of the MODIS instruments, accurate navigation (orbit and attitude) data and an accurate Earth terrain model to compute the location of each MODIS pixel. The error analysis approach automatically matches MODIS imagery with a global set of over 1,000 ground control points from the finer-resolution Landsat satellite to measure static biases and trends in the MO0lS geometric model parameters. Both within orbit and yearly thermally induced cyclic variations in the pointing have been found as well as a general long-term trend.

Wolfe, R. E.↗
NASA NTRS1986

Orbit determination using synthetic aperture radar

The use of synthetic aperture radar (SAR) images to estimate orbital parameters is studied. The SAR image formation process which requires the ability to repeatedly transmit identical signals and accurately sense the return echoes from a region of terrain is described. The orbit determination capabilities of the SAR system's observables are investigated. Five SAR observations were collected from a simulated shuttle orbit, which was circular with a latitude of 220 km and along-track velocity of 7.7 km/sec, to obtain along-track and line-of-sight direction position measurements; the simulation reveals that only three SAR observations were required to determine the position of the spacecraft to within 100 m. A prototype SAR orbit determination system was developed. The system consists of a VAX 11/780 time-shared computer, a frame buffer, topographic maps, and software for line-pixel location of an object within a SAR image and for orbit determination. The prototype is applied to the processing of a single short arc of Shuttle Imaging-Radar-B (SIR-B) data. It is observed that the SAR data is useful as orbit determination or tracking data; however, the low SNRs in the SIR-B data made feature identification difficult.

Taber, W. L.↗
DOE OSTI2016

Self-consistent second-order Green’s function perturbation theory for periodic systems

Despite recent advances, systematic quantitative treatment of the electron correlation problem in extended systems remains a formidable task. Systematically improvable Green’s function methods capable of quantitatively describing weak and at least qualitatively strong correlations appear as promising candidates for computational treatment of periodic systems. We present a periodic implementation of temperature-dependent self-consistent 2nd-order Green’s function (GF2) method, where the self-energy is evaluated in the basis of atomic orbitals. Evaluating the real-space self-energy in atomic orbitals and solving the Dyson equation in k-space are the key components of a computationally feasible algorithm. We apply this technique to the one-dimensional hydrogen lattice — a prototypical crystalline system with a realistic Hamiltonian. By analyzing the behavior of the spectral functions, natural occupations, and self-energies, we claim that GF2 is able to recover metallic, band insulating, and at least qualitatively Mott regimes. We observe that the iterative nature of GF2 is essential to the emergence of the metallic and Mott phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

A candidate for the parent body of the Taurid complex and its search ephemeris

Untypical asteroid 5025 P-L, with its perihelion close to the orbit of Mercury and its aphelion between the orbits of Jupiter and Saturn, seems to be a good candidate for the parent body of the Taurid complex of small interplanetary objects. Evidence that this asteroid is a major source of meteoroids as well as an analysis of the orbits of asteroidal and cometary members of the Taurid complex, lead to the conclusion that 5025 P-L might be regarded as a remnant of a giant comet which was a progenitor of the overall complex according to the hypothesis of Clube and Napier. Unfortunately, the orbit of 5025 P-L is very poorly determined because the computations were based upon only three positional observations over an arc of only four days in October 1960. Any further research on the problem of origin and evolution of the Taurid complex needs better determined orbit of this key asteroid. Therefore its new positions are necessary. In order to enable the search of eventual trails of 5025 P-L on plates which can be found in archives, its ephemeris for the opposition in 1960, when the asteroid passed about 0.5 AU from the Earth, is presented.

Ziolkowski, Krzysztof↗
DOE OSTI2015

Magnetic interactions in strongly correlated systems: Spin and orbital contributions

We present a technique to map an electronic model with local interactions (a generalized multi-orbital Hubbard model) onto an effective model of interacting classical spins, by requiring that the thermodynamic potentials associated to spin rotations in the two systems are equivalent up to second order in the rotation angles, when the electronic system is in a symmetry-broken phase. This allows to determine the parameters of relativistic and non-relativistic magnetic interactions in the effective spin model in terms of equilibrium Green’s functions of the electronic model. The Hamiltonian of the electronic system includes, in addition to the non-relativistic part, relativistic single-particle terms such as the Zeeman coupling to an external magnetic field, spin–orbit coupling, and arbitrary magnetic anisotropies; the orbital degrees of freedom of the electrons are explicitly taken into account. We determine the complete relativistic exchange tensors, accounting for anisotropic exchange, Dzyaloshinskii–Moriya interactions, as well as additional non-diagonal symmetric terms (which may include dipole–dipole interaction). The expressions of all these magnetic interactions are determined in a unified framework, including previously disregarded features such as the vertices of two-particle Green’s functions and non-local self-energies. We do not assume any smallness in spin–orbit coupling, so our treatment is in this sense exact. Finally, we show how to distinguish and address separately the spin, orbital and spin–orbital contributions to magnetism, providing expressions that can be computed within a tight-binding Dynamical Mean Field Theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Implementation of the SU(2) Hamiltonian Symmetry for the DMRG Algorithm

In the Density Matrix Renormalization Group (DMRG) algorithm (White, 1992, 1993) and Hamiltonian symmetries play an important role. Using symmetries, the matrix representation of the Hamiltonian can be blocked. Diagonalizing each matrix block is more efficient than diagonalizing the original matrix. This paper explains how the the DMRG++ code (Alvarez, 2009) has been extended to handle the non-local SU(2) symmetry in a model independent way. Improvements in CPU times compared to runs with only local symmetries are discussed for the one-orbital Hubbard model, and for a two-orbital Hubbard model for iron-based superconductors. The computational bottleneck of the algorithm and the use of shared memory parallelization are also addressed.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Poly(cyclosilane) Connectivity Tunes Optical Absorbance

We report herein the influence of skeletal connectivity on the conformation-dependent optical properties of cyclosilane homo- and copolymers. 1,3-Linked cyclosilanes were bathochromically shifted by 20 nm in solution relative to 1,4-linked cyclosilanes, an effect reproduced by quantum chemical calculations on oligomeric model systems. Polysilane optical properties are conformation-dependent, and 1,3-linked cyclosilanes were hypothesized to adopt a favorable conformation unavailable to 1,4-linked cyclosilanes constrained to an endocyclic gauche conformation. Copolymerization of the isomeric cyclosilanes 1,3Si 6 and 1,4Si 6 afforded linear statistical copolymers, as characterized by 1 H and 29 Si NMR spectroscopies. The distinct connectivity of each comonomer was found to give rise to tunable absorption spectra, where the position of the absorption band systematically increased with the increased corporation of 1,3Si 6 . Computational studies pointed to conformation-dependent changes in orbital symmetry in shifting the most intense transition from the low-energy highest occupied molecular orbital (HOMO) → lowest unoccupied molecular orbital (LUMO) transition to a higher-energy HOMO → LUMO + n transition. Here, the results of these studies demonstrate for the first time the role of silicon skeletal connectivity in controlling conformation and optoelectronic properties and provide new insight into the structure-based design of solution-processable silicon-based polymeric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Incipient class II mixed valency in a plutonium solid-state compound

Electron transfer in mixed-valent transition-metal complexes, clusters and materials is ubiquitous in both natural and synthetic systems. The degree to which intervalence charge transfer (IVCT) occurs, dependent on the degree of delocalization, places these within class II or III of the Robin–Day system. In contrast to the d-block, compounds of f-block elements typically exhibit class I behaviour (no IVCT) because of localization of the valence electrons and poor spatial overlap between metal and ligand orbitals. Here, in this paper, we report experimental and computational evidence for delocalization of 5f electrons in the mixed-valent Pu III /Pu IV solid-state compound, Pu 3 (DPA) 5 (H 2 O) 2 (DPA = 2,6-pyridinedicarboxylate). The properties of this compound are benchmarked by the pure Pu III and Pu IV dipicolinate complexes, [Pu III (DPA)(H 2 O) 4 ]Br and Pu IV (DPA) 2 (H 2 O) 3 ·3H 2 O, as well as by a second mixed-valent compound, Pu III [Pu IV (DPA) 3 H 0.5 ] 2 , that falls into class I instead. Metal-to-ligand charge transfer is involved in both the formation of Pu 3 (DPA) 5 (H 2 O) 2 and in the IVCT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗