Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “computers orbits”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,423 records · Page 79

Structural, vibrational spectroscopic and nonlinear optical activity studies on 2-hydroxy- 3, 5-dinitropyridine: A DFT approach

The conformational analysis was carried out for 2-Hydroxy- 3, 5-dinitropyridine molecule using potential energy surface scan and the most stable optimized conformer was predicted. The vibrational frequencies and Mulliken atomic charge distribution were calculated for the optimized geometry of the molecule using DFT/B3LYP cc-pVQZ basis set by Gaussian 09 Program. The vibrational frequencies were assigned on the basis of potential energy distribution calculation using VEDA 4.0 program. In the Frontier molecular orbitals analysis, the molecular reactivity, kinetic stability, intramolecular charge transfer studies and the calculation of ionization energy, electron affinity, global hardness, chemical potential, electrophilicity index and softness values of the title molecule were carried out. The nonlinear optical activity of the molecule was studied by means of first order hyperpolarizability, which was computed as 7.64 times greater than urea. The natural bond orbital analysis was performed to confirm the nonlinear optical activity of the molecule.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Many-body theory of phonon-induced spin relaxation and decoherence

First-principles calculations enable accurate predictions of electronic interactions and dynamics. However, computing the electron spin dynamics remains challenging. The spin-orbit interaction causes various dynamical phenomena that couple with phonons, such as spin precession and spin-flip e-ph scattering, which are difficult to describe with current first-principles calculations. Here, in this work, we show a rigorous framework to study phonon-induced spin relaxation and decoherence, by computing the spin-spin correlation function and its vertex corrections due to e-ph interactions. We apply this approach to a model system and develop corresponding first-principles calculations of spin relaxation in GaAs. Our vertex-correction formalism is shown to capture the Elliott-Yafet, Dyakonov-Perel, and strong-precession mechanisms—three independent spin decoherence regimes with distinct physical origins—thereby unifying their theoretical treatment and calculation. Our method is general and enables quantitative studies of spin relaxation, decoherence, and transport in a wide range of materials and devices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The dynamics and control of large flexible space structures. Part B: Development of continuum model and computer simulation

The equations of motion of an arbitrary flexible body in orbit were derived. The model includes the effects of gravity with all its higher harmonics. As a specific example, the motion of a long, slender, uniform beam in circular orbit was modelled. The example considers both the inplane and three dimensional motion of the beam in orbit. In the case of planar motion with only flexible vibrations, the pitch motion is not influenced by the elastic motion of the beam. For large values of the square of the ratio of the structural modal frequency to the orbital angular rate the elastic motion was decoupled from the pitch motion. However, for small values of the ratio and small amplitude pitch motion, the elastic motion was governed by a Hill's 3 term equation. Numerical simulation of the equation indicates the possibilities of instability for very low values of the square of the ratio of the modal frequency to the orbit angular rate. Also numerical simulations of the first order nonlinear equations of motion for a long flexible beam in orbit were performed. The effect of varying the initial conditions and the number of modes was demonstrated.

Bainum, P. M.↗

Orbital transfer vehicle advanced expander cycle engine point design study

A detailed computer model of the expander cycle engine system steady-state operation was developed. Payload performance data for the expander cycle engine for 100K pounds and 65K pounds Space Shuttle missions were examined to establish peak payload thrusts. It was found that peak payload for the 100K pound gross weight single engine case occurred at nearly 15,000 pounds thrust for both engine mixture ratios of 6:1 and 7:1. Peak payload at engine mixture ratio of 6:1 was 4 percent greater than at 7:1 mixture ratio. The two engine configuration peak paYloads occurred at engine thrust below 7,500 pounds (extrapolated) and were lower than single engine payloads. For the 65K pound gross weight mission, peak payloads for the single engine configuration occurred at nearly 10,000 pounds for both mixture ratios. Mixture ratio of 7:1 payloads were 5 percent lower than 6:1 payloads. Two engine configuration payloads occurred at engine thrusts considerably below 10K pounds.

Martinez, A.↗

A rapid method of estimating the collision frequencies between the earth and the earth-crossing bodies

The present study examines a very fast method of calculating the collision frequency between two low-eccentricity orbiting bodies for evaluating the evolution of earth-orbiting objects such as space debris. The results are very accurate and the required computer time is negligible. The method is now applied without modification to calculate the collision frequencies for moderately and highly eccentric orbits.

Su, Shin-Yi↗

Addressing Challenges to the Design & Test of Operational Lighting Environments for the International Space Station

In our day to day lives, the availability of light, with which to see our environment, is often taken for granted. The designers of land based lighting systems use sunlight and artificial light as their toolset. The availability of power, quantity of light sources, and variety of design options are often unlimited. The accessibility of most land based lighting systems makes it easy for the architect and engineer to verify and validate their design ideas. Failures with an implementation, while sometimes costly, can easily be addressed by renovation. Consider now, an architectural facility orbiting in space, 260 miles above the surface of the earth. This human rated architectural facility, the International Space Station (ISS) must maintain operations every day, including life support and appropriate human comforts without fail. The facility must also handle logistics of regular shipments of cargo, including new passengers. The ISS requires accommodations necessary for human control of machine systems. Additionally, the ISS is a research facility and supports investigations performed inside and outside its livable volume. Finally, the facility must support remote operations and observations by ground controllers. All of these architectural needs require a functional, safe, and even an aesthetic lighting environment. At Johnson Space Center, our Habitability and Human Factors team assists our diverse customers with their lighting environment challenges, via physical test and computer based analysis. Because of the complexity of ISS operational environment, our team has learned and developed processes that help ISS operate safely. Because of the dynamic exterior lighting environment, uses computational modeling to predict the lighting environment. The ISS' orbit exposes it to a sunrise every 90 minutes, causing work surfaces to quickly change from direct sunlight to earthshine to total darkness. Proper planning of vehicle approaches, robotics operations, and crewed Extra Vehicular Activities are mandatory to ensure safety to the crew and all others involved. Innovation in testing techniques is important as well. The advent of Solid State Lighting technology and the lack of stable national and international standards for its implementation pose new challenges on how to design, test and verify individual light fixtures and the environment that uses them. The ISS will soon be replacing its internal fluorescent lighting system to a solid state LED system. The Solid State Lighting Assembly will be used not only for general lighting, but also as a medical countermeasure to control the circadian rhythm of the crew. The new light source has performance criteria very specific to its spectral fingerprint, creating new challenges that were originally not as significant during the original design of the ISS. This presentation will showcase findings and toolsets our team is using to assist in the planning of tasks, and design of operational lighting environments on the International Space Station.

Clark, Toni A.↗

Atmospheric effects on the Space Shuttle approach and landing

The present work describes piloted simulations of Space Shuttle approach and landing where the pilot either flies the aircraft or monitors a computer-controlled flight with the option to take control. The simulated runs encompassed approach to the airport, acquisition of the glide slope and localizer, and accomplishing final flare and touchdown. The degree of difficulty associated with the flight task was imposed through modeled atmospheric winds and superimposed atmospheric turbulence. The simulator models the Orbiter vehicle with the aid of an all-digital computer complex and a fixed-base crew station. Comparison between piloted and computer-controlled responses to unexpected atmospheric conditions was obtained by recording data from instrument displays available to the pilot.

Ragsdale, W. A.↗

Shadowed Space Heating of Sparse Structures

Complete heat-flux and temperature maps computed. Computer program SSQ developed to address and quantify complex, solar-shadowing conditions inherent in sparse, lattice-type space structures. Analysis procedure one of assessing partial shadowing of structural elements by multiple, similar slender members. Program yields schedules of incident-solar, Earth-thermal, and Earth-albedo radiation throughout complete orbit for elemental locations on selected structural members. Thermal response computed in optional routine. Complete heat-flux and temperature mapping obtained by repeated computations for selected elements of interest.

Oneill, J. L.↗

$\mathrm{Perturbo}$: A software package for ab initio electron–phonon interactions, charge transport and ultrafast dynamics

We report Perturbo is a software package for first-principles calculations of charge transport and ultrafast carrier dynamics in materials. The current version focuses on electron–phonon interactions and can compute phonon-limited transport properties such as the conductivity, carrier mobility and Seebeck coefficient. It can also simulate the ultrafast nonequilibrium electron dynamics in the presence of electron–phonon scattering. Perturbo uses results from density functional theory and density functional perturbation theory calculations as input, and employs Wannier interpolation to reduce the computational cost. It supports norm-conserving and ultrasoft pseudopotentials, spin–orbit coupling, and polar electron–phonon interactions for bulk and 2D materials. Hybrid MPI plus OpenMP parallelization is implemented to enable efficient calculations on large systems (up to at least 50 atoms) using high-performance computing. Taken together, Perturbo provides efficient and broadly applicable ab initio tools to investigate electron–phonon interactions and carrier dynamics quantitatively in metals, semiconductors, insulators, and 2D materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Investigation of the Crust of the Pannonian Basin, Hungary Using Low-Altitude CHAMP Horizontal Gradient Magnetic Anomalies

The Pannonian Basin is a deep intra-continental basin that formed as part of the Alpine orogeny. It is some 600 by 500 km in area and centered on Hungary. This area was chosen since it has one of the thinnest continental crusts in Europe and is the region of complex tectonic structures. In order to study the nature of the crustal basement we used the long-wavelength magnetic anomalies acquired by the CHAMP satellite. The SWARM constellation, scheduled to be launched next year, will have two lower altitude satellites flying abreast, with a separation of between ca. 150 to 200 km. to record the horizontal magnetic gradient. Since the CHAMP satellite has been in orbit for eight years and has obtained an extensive range of data, both vertically and horizontally there is a large enough data base to compute the horizontal magnetic gradients over the Pannonian Basin region using these many CHAMP orbits. We recomputed a satellite magnetic anomaly map, using the spherical-cap method of Haines (1985), the technique of Alsdorf et al. (1994) and from spherical harmonic coefficients of MF6 (Maus et aI., 2008) employing the latest and lowest altitude CHAMP data. We then computed the horizontal magnetic anomaly gradients (Kis and Puszta, 2006) in order to determine how these component data will improve our interpretation and to preview what the SW ARM mission will reveal with reference to the horizontal gradient anomalies. The gradient amplitude of an 1000 km northeast-southwest profile through our horizontal component anomaly map varied from 0 to 0.025 nT/km with twin positive anomalies (0.025 and 0.023 nT/km) separated by a sharp anomaly negative at o nT/km. Horizontal gradient indicate major magnetization boundaries in the crust (Dole and Jordan, 1978 and Cordell and Grauch, 1985). Our gradient anomaly was modeled with a twodimensional body and the anomaly, of some 200 km, correlates with a 200 km area of crustal thinning in the southwestern Pannonian Basin.

Taylor, Patrick T.↗

Orbital order in FeSe: The case for vertex renormalization

We study the structure of the orbital order Γ = † xz d xz - d † yz d yz > in FeSe in light of recent scanning tunneling microscopy and angle-resolved photoemission spectroscopy (ARPES) data, which detect the shapes of the hole and electron pockets in the nematic phase. The geometry of the pockets indicates that the sign of Γ is different between the hole and electron pockets (Γ h and Γ e ). We argue that this sign change cannot be reproduced if one solves for the orbital order within the mean-field approximation, as the mean-field analysis yields either no orbital order, or order with the same sign of Γ e and Γh. We argue that another solution with the opposite signs of Γ e and Γ h emerges if we include the renormalizations of the vertices in the d -wave orbital channel. We show that the ratio |Γ e /Γ h | is of order one, independent of the strength of the interaction. We also compute the temperature variation of the energy of d xz and d yz orbitals at the center of electron pockets and compare the results with ARPES data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Atmospheric gravitational influence on geodetic satellite orbits - Starlette analysis

The atmosphere is constantly in motion. The changing gravitational force due to the air mass movement will slightly perturb the orbit of a satellite. As the instrument accuracy for geodetic satellites improves, failure to model this perturbation can result in significant systematic errors in the orbit determination. The latter, in turn, will degrade the Earth's gravity solutions. A direct modeling technique to analyze the atmospheric gravitational influence on geodetic satellite is developed. We use the global surface pressure data from the ECMWF Initial Analysis Database to compute the gravitational force due to atmospheric perturbation exerted on given satellite as a function of time during selected orbital arcs. Satellite Laser Ranging (SLR) tracking data for selected Starlette (altitude 900 km) orbital arcs are used to test the computed force model. Although only a slight reduction in the rms residuals is observed when the atmospheric gravitational perturbation is included in the force model for data reduction of the SLR data, significant improvement is obtained in the predictability of the satellite orbit. Comprehensive studies involving more definitive test criteria and more refined models are still needed.

Chao, B. F.↗

Jupiter orbiter lifetime: The hazard of Galilean satellite collision

The four Galilean satellites of Jupiter present a long-term collision hazard to an uncontrolled orbiting spacecraft that repeatedly enters the spatial region occupied by the satellites. Satellite close encounters and the likelihood of collision over a wide range of initial orbit conditions were analyzed. The effect of orbit inclination was of key interest. The scope of the analysis was restricted to orbital dynamic considerations alone, i.e. the question of biological contamination given the event of collision was not considered. A quarantine or orbiter lifetime of 50 years was assumed. This time period begins at spacecraft shutdown following completion of the mission objectives. A numerical approach was adopted wherein each initial orbit is propagated for 50 years, and satellite closest encounter distances recorded on every revolution. The computer program includes approximations of the three major perturbation effects on the long-term motion of the orbiter: (1) Jupiter oblateness, (2) solar gravity, and (3) satellite gravity.

Friedlander, A. L.↗

Heating Analysis of the Lockheed Lifting Body

Computational fluid dynamic (CFD) analysis is performed on the Lockheed Lifting Body Single-Stage-to-Orbit vehicle to determine the heat transfer to the vehicle during its descent trajectory. Seven species, chemical nonequilibriurn computations using the GASP code will be completed at several trajectory points to assess the thermal protection requirements of the vehicle. Sophisticated surface boundary conditions including in-depth conduction, catalycity, and a variable temperature wall have been incorporated into the flow solver.

Palmer, Grant↗

The Dissociation Energies of AlH2 and AlAr

The D(sub 0) values for AlH2 and AlAr are computed using the coupled cluster approach in conjunction with large basis sets. Basis set superposition and spin-orbit effects are accounted for as they are sizeable due to the small binding energy. The computed dissociation energy for AlAr is 101 /cm , which is 83% of the experimental value (122.4/ cm). Our best estimate for the H2 binding energy in AlH2 is 40 +/- 28 /cm.

Ricca, Alessandra↗

Crew appliance computer program manual, volume 1

Trade studies of numerous appliance concepts for advanced spacecraft galley, personal hygiene, housekeeping, and other areas were made to determine which best satisfy the space shuttle orbiter and modular space station mission requirements. Analytical models of selected appliance concepts not currently included in the G-189A Generalized Environmental/Thermal Control and Life Support Systems (ETCLSS) Computer Program subroutine library were developed. The new appliance subroutines are given along with complete analytical model descriptions, solution methods, user's input instructions, and validation run results. The appliance components modeled were integrated with G-189A ETCLSS models for shuttle orbiter and modular space station, and results from computer runs of these systems are presented.

Russell, D. J.↗

Trajectory optimization for an asymmetric launch vehicle

A numerical optimization technique is used to fully automate the trajectory design process for an symmetric configuration of the proposed Advanced Launch System (ALS). The objective of the ALS trajectory design process is the maximization of the vehicle mass when it reaches the desired orbit. The trajectories used were based on a simple shape that could be described by a small set of parameters. The use of a simple trajectory model can significantly reduce the computation time required for trajectory optimization. A predictive simulation was developed to determine the on-orbit mass given an initial vehicle state, wind information, and a set of trajectory parameters. This simulation utilizes an idealized control system to speed computation by increasing the integration time step. The conjugate gradient method is used for the numerical optimization of on-orbit mass. The method requires only the evaluation of the on-orbit mass function using the predictive simulation, and the gradient of the on-orbit mass function with respect to the trajectory parameters. The gradient is approximated with finite differencing. Prelaunch trajectory designs were carried out using the optimization procedure. The predictive simulation is used in flight to redesign the trajectory to account for trajectory deviations produced by off-nominal conditions, e.g., stronger than expected head winds.

Sullivan, Jeanne Marie↗

Dual-cone variational calculation of the two-electron reduced density matrix

The computation of strongly correlated quantum systems is challenging because of its potentially exponential scaling in the number of electron configurations. Variational calculation of the two-electron reduced density matrix (2-RDM) without the many-electron wave function exploits the pairwise nature of the electronic Coulomb interaction to compute a lower bound on the ground-state energy with polynomial computational scaling. Recently, a dual-cone formulation of the variational 2-RDM calculation was shown to generate the ground-state energy, albeit not the 2-RDM, at a substantially reduced computational cost, especially for higher $\textit{N}$-representability conditions such as the T2 constraint. Here we generalize the dual-cone variational 2-RDM method to compute not only the ground-state energy but also the 2-RDM. The central result is that we can compute the 2-RDM from a generalization of the Hellmann-Feynman theorem. Specifically, we prove that in the Lagrangian formulation of the dual-cone optimization the 2-RDM is the Lagrange multiplier. Further, we apply the method to computing the energies and properties of strongly correlated electrons—including atomic charges, electron densities, dipole moments, and orbital occupations—in an illustrative hydrogen chain and the nitrogen-fixation catalyst FeMoco. The dual variational computation of the 2-RDM with T2 or higher N -representability conditions provides a polynomially scaling approach to strongly correlated molecules and materials with significant applications in atomic and molecular and condensed-matter chemistry and physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗