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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Particle Hydrodynamics with Material Strength for Multi-Layer Orbital Debris Shield Design

Three dimensional simulation of oblique hypervelocity impact on orbital debris shielding places extreme demands on computer resources. Research to date has shown that particle models provide the most accurate and efficient means for computer simulation of shield design problems. In order to employ a particle based modeling approach to the wall plate impact portion of the shield design problem, it is essential that particle codes be augmented to represent strength effects. This report describes augmentation of a Lagrangian particle hydrodynamics code developed by the principal investigator, to include strength effects, allowing for the entire shield impact problem to be represented using a single computer code.

Fahrenthold, Eric P.↗
NASA NTRS1995

A Coupled-Cluster Study of the Molecular Structure, Vibrational Spectrum, and Heats of Formation of XONO2 (X=H, F, Cl)

The equilibrium structures, harmonic vibrational frequencies, dipole moments, and IR intensities of nitric acid, fluorine nitrate, and chlorine nitrate have been investigated by using the singles and doubles coupled cluster method that also includes a perturbational estimate of the effects of connected triple excitations, CCSD(T). A standard triple-zeta double-polarized basis set was utilized. The equilibrium geometries and vibrational spectra of HONO2 and ClONO2 are shown to be in excellent agreement with the available experimental data. The ab initio vibrational spectrum of FONO2 is also shown to be in excellent agreement with experiment. Unlike the FOOF and FON molecules, but similar to the cis- and trans-FONO molecules, FONO2 is shown to possess normal bond distances. The bonding in FONO2 is shown to be more similar to that in ClONO2 than that in HONO2, although there are still significant differences, especially in the partial atomic charges as deduced from Mulliken populations. This causes FONO2 to possess almost no dipole moment, which is very different to both HONO2 and ClONO2. By using large atomic natural orbital basis sets, CCSD(T) energies are computed for four isodesmic reactions in order to determine an accurate heat of formation for FONO2. Our best estimate for DELTA H(raised circle) (sub f,298) is 3.1 plus or minus 2.0 kcal/mol, indicating that the F-ONO2 bond energy is 31.3 kcal/mol.

Lee, Timothy J.↗
NASA NTRS1997

Formation Flying Control of Multiple Spacecraft

The problem of coordination and control of multiple spacecraft (MS) moving in formation is considered. Here, each MS is modeled by a rigid body with fixed center of mass. First, various schemes for generating the desired formation patterns are discussed, Then, explicit control laws for formation-keeping and relative attitude alignment based on nearest neighbor-tracking are derived. The necessary data which must be communicated between the MS to achieve effective control are examined. The time-domain behavior of the feedback-controlled MS formation for typical low-Earth orbits is studied both analytically and via computer simulation. The paper concludes with a discussion of the implementation of the derived control laws, and the integration of the MS formation coordination and control system with a proposed inter-spacecraft communication/computing network.

Hadaegh, F. Y.↗
NASA NTRS2001

The Capture of Interstellar Dust: The Pure Poynting-Robertson Case

Ulysses and Galileo spacecraft have discovered interstellar dust particles entering the solar system. In general, particles trajectories not altered by Lorentz forces or radiation pressure should encounter the sun on open orbits. Under Newtonian forces alone these particles return to the interstellar medium. Dissipative forces, such as Poynting Robertson (PR) and corpuscular drag and non-dissipative Lorentz forces can modify open orbits to become closed. In particular, it is possible for the orbits of particles that pass close to the Sun to become closed due to PR drag. Further, solar irradiation will cause modification of the size of the dust particle by evaporation. The combination of these processes gives rise a class of capture orbits and bound orbits with evaporation. Considering only the case of pure PR drag a minimum impact parameter is derived for initial capture by Poynting-Robertson drag. Orbits in the solar radiation field are computed numerically accounting for evaporation with optical and material properties for ideal interstellar particles modeled. The properties of this kind of particle capture are discussed for the Sun but is applicable to other stars.

Jackson, A. A.↗
NASA NTRS2003

A Solar System Survey of Forced Librations in Longitude

Physical librations in longitude are forced periodic variations of a body's rotation rate. If the torque producing the librations can be calculated, then observations of the phase and amplitude of librations can provide information on mass distribution, and effective strength of the body. In the near future prospects for observing physical librations look quite promising. Radio interferometric observations of Venus and Mercury may yield sufficiently accurate rotational observations that librations there may be visible. Range measurements from Earth to networks of landed instrument packages on Mars are likely to yield librational data there as well. We compute expected libration amplitudes from physical and orbital parameters of a set of planets and satellites partially motivated by a desire to identify candidates for future observations. Solar system bodies occupy one of three general rotation states: non-resonant states, resonant states, and the synchronous resonant state. Analytical treatments of forced librations were initially motivated by the Moon. Lunar librations were predicted by Newton, first detected telescopically by Bessel, and definitively resolved through lunar laser ranging which has led to quite thorough analysis of of librations for the synchronous case. The synchronous resonant state is commonly observed among satellites. The only known body to exist in a non-synchronous resonance is Mercury which exists in a 3:2 resonance, completing three rotations for every two revolutions about the sun. The analysis of Goldreich and Peale has lead to improved understanding of the general case of half integer resonance states. The dynamics of forced librations in non-resonant rotators has received less attention. While there are few cases in which non-resonant forced librations have been observed, Earth is an important exception, and current observing techniques may have the capacity to detect them on Venus. A comprehensive observing program spanning a range of solar system bodies can address an array of geophysical issues involving interior mass distribution of planets, satellites, and asteroids. Calculations of expected librations can supply amplitude estimates helpful in identifying the likelihood of detecting librations observationally. We present a survey of expected libration amplitudes for a subset of solar system bodies, identifying those bodies with amplitudes likely to be detectable, and commenting on spin state, and radial structure implications.

Comstock, R. L.↗
NASA NTRS2009

Computerized Machine for Cutting Space Shuttle Thermal Tiles

A report presents the concept of a machine aboard the space shuttle that would cut oversized thermal-tile blanks to precise sizes and shapes needed to replace tiles that were damaged or lost during ascent to orbit. The machine would include a computer-controlled jigsaw enclosed in a clear acrylic shell that would prevent escape of cutting debris. A vacuum motor would collect the debris into a reservoir and would hold a tile blank securely in place. A database stored in the computer would contain the unique shape and dimensions of every tile. Once a broken or missing tile was identified, its identification number would be entered into the computer, wherein the cutting pattern associated with that number would be retrieved from the database. A tile blank would be locked into a crib in the machine, the shell would be closed (proximity sensors would prevent activation of the machine while the shell was open), and a "cut" command would be sent from the computer. A blade would be moved around the crib like a plotter, cutting the tile to the required size and shape. Once the tile was cut, an astronaut would take a space walk for installation.

Ramirez, Luis E.↗
NASA NTRS2011

A Survey of Ballistic Transfers to the Lunar Surface

In this study techniques are developed which allow an analysis of a range of different types of transfer trajectories from the Earth to the lunar surface. Trajectories ranging from those obtained using the invariant manifolds of unstable orbits to those derived from collision orbits are analyzed. These techniques allow the computation of trajectories encompassing low-energy trajectories as well as more direct transfers. The range of possible trajectory options is summarized, and a broad range of trajectories that exist as a result of the Sun's influence are computed and analyzed. The results are then classified by type, and trades between different measures of cost are discussed.

Earth-Moon trajectories↗
NASA NTRS2012

Solar Thermal Upper Stage Liquid Hydrogen Pressure Control Testing and Analytical Modeling

The demonstration of a unique liquid hydrogen (LH2) storage and feed system concept for solar thermal upper stage was cooperatively accomplished by a Boeing/NASA Marshall Space Flight Center team. The strategy was to balance thermodynamic venting with the engine thrusting timeline during a representative 30-day mission, thereby, assuring no vent losses. Using a 2 cubic m (71 cubic ft) LH2 tank, proof-of-concept testing consisted of an engineering checkout followed by a 30-day mission simulation. The data were used to anchor a combination of standard analyses and computational fluid dynamics (CFD) modeling. Dependence on orbital testing has been incrementally reduced as CFD codes, combined with standard modeling, continue to be challenged with test data such as this.

Olsen, A. D.↗
NASA NTRS2021

Assessing Relay Communications for Mars Sample Return Surface Mission Concepts

The Mars Sample Return (MSR) Campaign is a 3-mission campaign concept supported by NASA and ESA to return samples from the Mars surface. MSR will, for the firsttime ever, present a need to communicate with multiple surfaceassets that are co-located on Mars in a coordinated effort toaccomplish the unified objective of fetching, transporting, andreturning samples from Mars. Currently, Mars surface assetsrelay data to and from Earth using a number of orbiters inwhat’s known as the Mars Relay Network (MRN). This networkis characterized by a small number of surface assets distributedacross the Martian globe and a larger number of orbiters toprovide relay services. As of June 2020, there are two surfaceassets for which five orbiters are providing relay. During theMSR Campaign, there will be two rovers and a lander that allwill require relay communication from a small number of Marsorbiters to meet the aggressive MSR timeline. The inversion ofthe current MRN paradigm, a system of many surface assetsrequiring relay and few orbiters to provide relay, necessitatesthe unique challenge of optimally allocating relay passes tomaximize the operational capability of all assets. The allocationmust consider a large number of trade variables includingMars asset operational requirements and Earth ground systemconstraints, including staffing schedules, operations planningacross time zones, and more. To address these telecommunicationchallenges, the Mars Asset Relay Mission Link AllocationDesign Environment (MARMLADE) tool was developed. Itis a MATLAB-based tool to assign orbiter passes or Direct-From-Earth (DFE) links to each of the three surface assets andquantify the operational efficiency of each surface asset.MARMLADE uses a data set of simulated Mars relay orbitergeometry and telecommunication capabilities provided by JPL’sTelecom Orbit Analysis and Simulation Tool (TOAST) softwareto compute which asset should get each pass based on a seriesof heuristics and predictions of all assets’ states. WithinMARMLADE, the user can provide inputs including the optionfor time-based pass splitting, fixed FWD data rate capabilities,DFE communication capabilities, and link parameters allowingfor the assessment of complex operations and hardware tradesusing surface mission operational efficiency as a primary figureof merit. As the MSR mission concepts continue to mature,MARMLADE is being used to assess ability of all MSR elementsto meet the surface mission timeline requirements and to provide relay link allocations to each of the MSR surface assets.

Lee, Charles↗
DOE OSTI2022

Ab initio calculations in atoms, molecules, and solids, treating spin–orbit coupling and electron interaction on an equal footing

We incorporate explicit, non-perturbative treatment of spin–orbit coupling into ab initio auxiliary-field quantum Monte Carlo (AFQMC) calculations. The approach allows a general computational framework for molecular and bulk systems in which material specificity, electron correlation, and spin–orbit coupling effects can be captured accurately and on an equal footing, with favorable computational scaling vs system size. We adopt relativistic effective-core potentials that have been obtained by fitting to fully relativistic data and that have demonstrated a high degree of reliability and transferability in molecular systems. This results in a two-component spin-coupled Hamiltonian, which is then treated by generalizing the ab initio AFQMC approach. We demonstrate the method by computing the electron affinity in Pb, the bond dissociation energy in Br 2 and I 2 , and solid Bi.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Post-Minkowskian effective field theory for conservative binary dynamics

We develop an Effective Field Theory (EFT) formalism to solve for the conservative dynamics of binary systems in gravity via Post-Minkowskian (PM) scattering data. Our framework combines a systematic EFT approach to compute the deflection angle in the PM expansion, together with the ‘Boundary-to-Bound’ (B2B) dictionary introduced. Due to the nature of scattering processes, a remarkable reduction of complexity occurs both in the number of Feynman diagrams and type of integrals, compared to a direct EFT computation of the potential in a PM scheme. We provide two illustrative examples. Firstly, we compute all the conservative gravitational observables for bound orbits to 2PM, which follow from only one topology beyond leading order. The results agree with those, obtained through the ‘impetus formula’ applied to the classical limit of the one loop amplitude. For the sake of comparison we reconstruct the conservative Hamiltonian to 2PM order, which is equivalent to the one derived from a matching calculation. Secondly, we compute the scattering angle due to tidal effects from the electric- and magnetic-type Love numbers at leading PM order. Using the B2B dictionary we then obtain the tidal contribution to the periastron advance. We also construct a Hamiltonian including tidal effects at leading PM order. Although relying on (relativistic) Feynman diagrams, the EFT formalism developed here does not involve taking the classical limit of a quantum amplitude, neither integrals with internal massive fields, nor additional matching calculations, nor spurious (‘super-classical’) infrared singularities. By construction, the EFT approach can be automatized to all PM orders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Spectroscopy of triply charmed baryons from lattice QCD

The spectrum of excitations of triply-charmed baryons is computed using lattice QCD including dynamical light quark fields. The spectrum obtained has baryonic states with well-defined total spin up to 7/2 and the low-lying states closely resemble the expectation from models with an SU(6) x O(3) symmetry. As a result, energy splittings between extracted states, including those due to spin-orbit coupling in the heavy quark limit are computed and compared against data at other quark masses.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Easy-plane spin Hall nano-oscillators as spiking neurons for neuromorphic computing

Here we show analytically using a macrospin approximation that easy-plane spin Hall nano-oscillators excited by a spin current polarized perpendicularly to the easy plane have phase dynamics analogous to that of Josephson junctions. Similarly to Josephson junctions, they can reproduce the spiking behavior of biological neurons that is appropriate for neuromorphic computing. To take advantage of typical spin-orbit torques, we use a nanoconstriction geometry, in which the magnetostatic interaction and magnetocrystalline anisotropy are tuned to create an easy plane that includes the interface normal direction. We perform micromagnetic simulations of such oscillators realized in this geometry and show that the easy-plane spiking dynamics is preserved in this experimentally feasible architecture. Finally we simulate two elementary neural network blocks that implement operations essential for neuromorphic computing. First, we show that output spikes energies from two neurons can be summed and injected into a following layer neuron and second, we demonstrate that outputs can be multiplied by synaptic weights implemented by locally modifying the anisotropy.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Gravity model development for TOPEX/POSEIDON: Joint gravity models 1 and 2

The TOPEX/POSEIDON (T/P) prelaunch Joint Gravity Model-1 (JGM-1) and the postlaunch JGM-2 Earth gravitational models have been developed to support precision orbit determination for T/P. Each of these models is complete to degree 70 in spherical harmonics and was computed from a combination of satellite tracking data, satellite altimetry, and surface gravimetry. While improved orbit determination accuracies for T/P have driven the improvements in the models, the models are general in application and also provide an improved geoid for oceanographic computations. The postlaunch model, JGM-2, which includes T/P satellite laser ranging (SLR) and Doppler orbitography and radiopositioning integrated by satellite (DORIS) tracking data, introduces radial orbit errors for T/P that are only 2 cm RMS with the commission errors of the marine geoid for terms to degree 70 being +/- 25 cm. Errors in modeling the nonconservative forces acting on T/P increase the total radial errors to only 3-4 cm root mean square (RMS), a result much better than premission goals. While the orbit accuracy goal for T/P has been far surpassed geoid errors still prevent the absolute determination of the ocean dynamic topography for wavelengths shorter than about 2500 km. Only a dedicated gravitational field satellite mission will likely provide the necessary improvement in the geoid.

Nerem, R. S.↗
DOE OSTI2023

Even Faster Exact Exchange for Solids via Tensor Hypercontraction

Hybrid density functional theory (DFT) remains intractable for large periodic systems due to the demanding computational cost of exact exchange. We apply the tensor hypercontraction (THC) (or interpolative separable density fitting) approximation to periodic hybrid DFT calculations with Gaussian-type orbitals using the Gaussian plane wave approach. This is done to lower the computational scaling with respect to the number of basis functions (N) and k-points (N k ) at a fixed system size. Additionally, we propose an algorithm to fit only occupied orbital products via THC (i.e., a set of points, N ISDF ) to further reduce computation time and memory usage. This algorithm has linear scaling cost with k-points, no explicit dependence of N ISDF on basis set size, and overall cubic scaling with unit cell size. Significant speedups and reduced memory usage may be obtained for moderately sized k-point meshes, with additional gains for large k-point meshes. Adequate accuracy can be obtained using THC-oo-K for self-consistent calculations. In conclusion, we perform illustrative hybrid density function theory calculations on the benzene crystal in the basis set and thermodynamic limits to highlight the utility of this algorithm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Equinoctial orbit elements - Application to artificial satellite orbits.

The matrizant of the two-body problem is developed in terms of elements that are free from singularities for zero eccentricities and zero- and ninety-degree inclinations. Retrograde equinoctial elements eliminate the singularity for inclinations near 180 degrees, with only minor changes in the expressions for the matrizant. The 'single-averaged' variation-of-parameters equations for these elements are developed for third-body, oblateness, and drag effects. Higher order terms are included in the expansions for the third-body and oblateness potential. A computer program that uses these equations to predict orbital evolution is described. Numerical results are given for a near-circular orbit.

Cefola, P. J.↗
NASA NTRS1972

Orbit improvement from satellite imaging data obtainable from the Mariner/Jupiter/Saturn 1977 missions

Equations of motion are established for a dynamic system in which a spacecraft flies close to and interacts with an outer planet and one or more of its satellites. For the computation of the state and mass partials needed in the orbit corrections, a set of variational equations is derived. These assume a notably compact form through the introduction of a matrix operator D. The above system of differential equations is integrated numerically on a computer.

Aksnes, K.↗
DOE OSTI2018

Spectro Analytical, Computational and In Vitro Biological Studies of Novel Substituted Quinolone Hydrazone and it’s Metal Complexes

Some novel transition metal [Cu (II), Ni (II) and Co (II)] complexes of nalidixic acid hydrazone have been prepared and characterized by employing spectro-analytical techniques viz: elemental analysis, {sup 1}H-NMR, Mass, UV–Vis, IR, TGA-DTA, SEM-EDX, ESR and Spectrophotometry studies. The HyperChem 7.5 software was used for geometry optimization of title compound in its molecular and ionic forms. Quantum mechanical parameters, contour maps of highest occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbitals (LUMO) and corresponding binding energy values were computed using semi empirical single point PM3 method. The stoichiometric equilibrium studies of metal complexes carried out spectrophotometrically using Job’s continuous variation and mole ratio methods inferred formation of 1:2 (ML{sub 2}) metal complexes in respective systems. The title compound and its metal complexes screened for antibacterial and antifungal properties, exemplified improved activity in metal complexes. The studies of nuclease activity for the cleavage of CT- DNA and MTT assay for in vitro cytotoxic properties involving metal complexes exhibited high activity. In addition, the DNA binding properties of Cu (II), Ni (II) and Co (II) complexes investigated by electronic absorption and fluorescence measurements revealed their good binding ability and commended agreement of K{sub b} values obtained from both the techniques. Molecular docking studies were also performed to find the binding affinity of synthesized compounds with DNA (PDB ID: 1N37) and “Thymidine phosphorylase from E.coli” (PDB ID: 4EAF) protein targets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗