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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

The effects of geopotential resonance on orbit determination for Landsat-4

Analysis is presented demonstrating improved performance for Landsat-4 orbit determination using the Goddard Trajectory Determination System with an adjusted Goddard Earth Model-9 (GEM-9) for geopotential coefficients of the 15th degree and order. The orbital state is estimated along with the sine and cosine coefficients of degree and order 15, (C, S) sub 15,15. The estimates are made for two 5-day intervals of range and doppler data, primarily from the Tracking and Data Relay Satellite, during a period of low solar activity in January 1987. The average values of the estimated coefficients (C, S) sub 15,15 are used to modify the GEM-9 model, and orbit determination performance is tested on 17 consecutive 34-hour operational tracking data arcs in January 1987. Significant reductions in the mean values and standard deviations of the along-track position difference and the drag model scaling parameter from solution to solution are observed. The approach is guided by the shallow resonance theory of geopotential orbit perturbations.

Hoge, S. L.↗
NASA NTRS1997

Timing the Geminga Pulsar with High-Energy Gamma-Rays

This is a continuing program to extend and refine the ephemeris of the Geminga pulsar with annual observations for the remaining lifetime of EGRET. The data show that every revolution of Geminga is accounted for during the EGRET epoch, and that a coherent timing solution linking the phase between EGRET, COS-B, amd SAS-2, observations has now been achieved. The accuracy of the gamma-ray timing is such that the proper motion of the pulsar can now be detected, consistent with the optical determination. The measured braking index over the 24.2 yr baseline is 17 +/- 1. Further observation is required to ascertain whether this very large braking index truly represents the energy loss mechanism, perhaps related to the theory in which Geminga is near its gamma-ray death line, or whether it is a manifestation of timing noise. Statistically significant timing residuals are detected in the EGRET data; they depart from the cubic ephemeris at a level of 23 milliperiods. The residuals appear to have a sinusoidal modulation with a period of about 5.1 yr. This could simply be a manifestation of timing noise, or it could be consistent with a planet of mass 1.7/sin i solar mass orbiting Geminga at a radius of 3.3/sin i AU.

Halpern, Jules P.↗
DOE OSTI2023

Comparing the structures and photophysical properties of two charge transfer co-crystals

Organic co-crystals have emerged as a promising class of semiconductors for next-generation optoelectronic devices due to their unique photophysical properties. This paper presents a joint experimental-theoretical study comparing the crystal structure, spectroscopy, and electronic structure of two charge transfer co-crystals. Reported herein is a novel co-crystal Npe:TCNQ, formed from 4-(1-naphthylvinyl)pyridine (Npe) and 7,7,8,8-tetracyanoquinodimethane (TCNQ) via molecular self-assembly. This work also presents a revised study of the co-crystal composed of Npe and 1,2,4,5-tetracyanobenzene (TCNB) molecules, Npe:TCNB, herein reported with a higher-symmetry (monoclinic) crystal structure than previously published. Npe:TCNB and Npe:TCNQ dimer clusters are used as theoretical model systems for the co-crystals; the geometries of the dimers are compared to geometries of the extended solids, which are computed with periodic boundary conditions density functional theory. UV-Vis absorption spectra of the dimers are computed with time-dependent density functional theory and compared to experimental UV-Vis diffuse reflectance spectra. Both Npe:TCNB and Npe:TCNQ are found to exhibit neutral character in the S 0 state and ionic character in the S 1 state. In conclusion, the high degree of charge transfer in the S 1 state of both Npe:TCNB and Npe:TCNQ is rationalized by analyzing the changes in orbital localization associated with the S 1 transitions.

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

Variations of the Milankovitch frequencies in time

The sensitivity of the amplitudes and frequencies in the development of the Earth's orbital and rotational elements involved in the astronomical theory of paleoclimates (eccentricity, obliquity, and climate precession), to the Earth-Moon distance and consequently to the length of the day and to the dynamical ellipticity of the Earth has been discussed for the last billions of years. The shortening of the Earth-Moon distance and of the length of the day, as well as the lengthening of the dynamical ellipticity of the Earth back in time induce a shortening of the fundamental astronomical periods for precession and obliquity. At the same time, the amplitudes of the different terms in the development of the obliquity are undergoing a relative enlargement of about 50 percent at 2 x 10(exp 9) yr BP but the independent term is increasing very weakly (less than 0.1 percent). In other words, the value of the obliquity, which lies within a range of 21.7 to 24.9 deg over the Quarternary was restricted to a range of 22.5 to 24.1 deg at 2 x 10(exp 9) yr BP. On the other hand, the amplitudes in the development of the climatic precession do not change. Moreover, these changes in the frequencies and amplitudes for both obliquity and climatic precession are larger for longer period terms. Finally, the periods in the eccentricity development are not influenced by the variation of the lunar distance. But the motion of the solar system, especially of the inner planets, was shown to be chaotic. It means that it is impossible to compute the exact motion of the planets over more than about 100 Myr, and the fundamental frequencies of the systems are not fixed quantities, but are slowly varying with time. As long as we consider the most important terms, the maximum deviation from the present-day value of the 19-kyr precessional period due to the chaotic motion of the solar system only does not reach more than a few tens of years around 80 Myr BP. Therefore the shortening of the obliquity and climatic precession periods is mostly driven by the change in the lunar distance and the consequent variations in the dynamical ellipticity of the Earth's angular speed. At first sight, the deviation in the period for the eccentricity can be neglected, as the chaotic behavior of the solar system implies a relative change of the main periods by less than 0.2 percent, 1.4 percent, and 1.9 percent respectively, this maximum change being achieved around 80 Myr BP. This implies, in particular, that the eccentricity periods for Quarternary climate studies may be considered more or less constant for pre-Quaternay times and equal to their Quaternary values.

Loutre, Marie-France↗
NASA NTRS2017

Satellite Constellation Orbit Design to Enable a Space-Based Radio Interferometer

Two different design methods for a networked constellation of N small satellites are presented. In the first method, the (linear) Clohessy-Wilthsire equations are used as an initial design tool, followed by conversion to a two-body model. Discrepancies between the linear and nonlinear solutions are minimized in the conversion process. The second method utilizes invariant manifold theory, by perturbing a reference trajectory in different directions along the center eigenvectors. Both methods require 5N parameters to fully define a constellation. In a relative, rotating frame of the reference path, the spacecraft appear as periodic ellipses of varying sizes. Deployment, reconfiguration using propulsive maneuvers, and station keeping costs for an example mission scenario are addressed.

Chien, Steve A.↗
NASA NTRS1974

A unified approach for the application of general perturbation theories to the artificial satellite problem

An Encke-type method is developed as well as a variation of parameters method, both of which use a non-Keplerian reference orbit. The regularized time is used in the numerical integration and the optimum value of n is found for each type of orbit investigated. Accuracy and computation time comparisons are made with a classical Cowell method. It should be noted that the element formulations developed and tested were found to be exceptionally numerically stable in the sense that it was possible to achieve numerical consistency order of very long integration periods - a property not available with the Cowell formulation - and therefore these formulations may be helpful for high precision calculations.

Alfriend, K. T.↗
DOE OSTI2021

Decaying Orbit of the Hot Jupiter WASP-12b: Confirmation with TESS Observations

Theory suggests that the orbits of some close-in giant planets should decay due to tidal interactions with their host stars. To date, WASP-12b is the only hot Jupiter reported to have a decaying orbit, at a rate of 29 ± 2 ms yr{sup −1}. We analyzed data from NASA’s Transiting Exoplanet Survey Satellite (TESS) to verify that WASP-12b’s orbit is indeed changing. We find that the TESS transit and occultation data are consistent with a decaying orbit with an updated period of 1.091420090 ± 0.000000041 days and a decay rate of 32.53 ± 1.62 ms yr{sup −1}. We find an orbital decay timescale of τ=P/| P-dot |=2.90±0.14 Myr. If the observed decay results from tidal dissipation, the modified tidal quality factor is Q{sub ⋆}{sup ′}=1.39±0.15×10{sup 5}, which falls at the lower end of values derived for binary star systems and hot Jupiters. Our result highlights the power of space-based photometry for investigating the orbital evolution of short-period exoplanets.

47 OTHER INSTRUMENTATION↗
NASA NTRS1961

On the Long Period Luni-Solar Effect in the Motion of an Artificial Satellite

Two systems of formulas are presented for the determination of the long period perturbations caused by the Sun and the Moon in the motion of an artificial satellite. The first system can be used to determine the lunar effect for all satellites. The second method is more convenient for finding the lunar effect for close satellites and the solar effect for all satellites. Knowledge of these effects is essential for determining the stability of the satellite orbit. The basic equations of both systems are arranged in a form which permits the use of numerical integration. The two theories are more accurate and more adaptable to the use of electronic machines than the analytical developments obtained previously.

Musen, Peter↗
DOE OSTI2020

ABINIT: Overview and focus on selected capabilities

ABINIT is probably the first electronic-structure package to have been released under an open-source license about 20 years ago. It implements density functional theory, density-functional perturbation theory (DFPT), many-body perturbation theory (GW approximation and Bethe–Salpeter equation), and more specific or advanced formalisms, such as dynamical mean-field theory (DMFT) and the “temperature-dependent effective potential” approach for anharmonic effects. Relying on planewaves for the representation of wavefunctions, density, and other space-dependent quantities, with pseudopotentials or projector-augmented waves (PAWs), it is well suited for the study of periodic materials, although nanostructures and molecules can be treated with the supercell technique. The present article starts with a brief description of the project, a summary of the theories upon which ABINIT relies, and a list of the associated capabilities. It then focuses on selected capabilities that might not be present in the majority of electronic structure packages either among planewave codes or, in general, treatment of strongly correlated materials using DMFT; materials under finite electric fields; properties at nuclei (electric field gradient, Mössbauer shifts, and orbital magnetization); positron annihilation; Raman intensities and electro-optic effect; and DFPT calculations of response to strain perturbation (elastic constants and piezoelectricity), spatial dispersion (flexoelectricity), electronic mobility, temperature dependence of the gap, and spin-magnetic-field perturbation. The ABINIT DFPT implementation is very general, including systems with van der Waals interaction or with noncollinear magnetism. Community projects are also described: generation of pseudopotential and PAW datasets, high-throughput calculations (databases of phonon band structure, second-harmonic generation, and GW computations of bandgaps), and the library libpaw. ABINIT has strong links with many other software projects that are briefly mentioned.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Chemical interactions that govern the structures of metals

Most metals adopt simple structures such as body-centered cubic (BCC), face-centered cubic (FCC), and hexagonal close-packed (HCP) structures in specific groupings across the periodic table, and many undergo transitions to surprisingly complex structures on compression, not expected from conventional free-electron-based theories of metals. First-principles calculations have been able to reproduce many observed structures and transitions, but a unified, predictive theory that underlies this behavior is not yet in hand. Discovered by analyzing the electronic properties of metals in various lattices over a broad range of sizes and geometries, a remarkably simple theory shows that the stability of metal structures is governed by electrons occupying local interstitial orbitals and their strong chemical interactions. The theory provides a basis for understanding and predicting structures in solid compounds and alloys over a broad range of conditions.

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

An Astrometric Planetary Companion Candidate to the M9 Dwarf TVLM 513–46546

Astrometric observations of the M9 dwarf TVLM 513–46546 taken with the VLBA reveal an astrometric signature consistent with a period of 221 ± 5 days. The orbital fit implies that the companion has a mass m {sub p} = 0.35−0.42 M {sub J}, a circular orbit (e ≃ 0), a semimajor axis a = 0.28−0.31 au, and an inclination angle i = 71°−88°. The detected companion, TVLM 513b, is one of the few giant-mass planets found associated with ultracool dwarfs. The presence of a Saturn-like planet on a circular orbit 0.3 au from a 0.06−0.08 M {sub ⊙} star represents a challenge to planet formation theory. This is the first astrometric detection of a planet at radio wavelengths.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

Standing hydromagnetic waves observed by ISEE 1 and 2 - Radial extent and harmonic

Direct measurements of the spatial extent of the resonant hydromagnetic waves associated with Pc 4 and 5 magnetic pulsations made by the closely spaced ISEE 1 and 2 satellites are presented together with ISEE 1 determinations of the harmonic of the resonant waves. The use of two satellites in similar orbits, which makes it possible to distinguish between spatial and temporal features, has shown the resonant region widths to extend over about 0.2 to 1.6 L shells for three events detected on the dayside between L = 4 and L = 7. The two events for which plasma density data was available occurred at plasma density gradients in the vicinity of the plasmapause. The standing wave harmonic was determined by the combination of two techniques: the comparison of the observed wave period with that predicted by standing wave theory, and the comparison of the phases of the observed wave electric and magnetic field. The two events analyzed are found to be second harmonic oscillations, suggesting internal generation in the magnetosphere by a bounce resonant mechanism.

Singer, H. J.↗
DOE OSTI2026

Custom-trained Machine-learning Interatomic Potentials: ZnCl2 Aqueous Solution

This dataset was generated using an iterative active-learning strategy implemented in the ArcaNN software package (https://github.com/arcann-chem/arcann_training) to train machine-learning interatomic potentials for aqueous ZnCl2 solutions. Each active-learning cycle consisted of three stages: training, exploration, and labeling. The initial training set combined configurations generated in this work from enhanced-sampling ab initio molecular dynamics simulations with configurations from a previously reported neural-network-potential study of aqueous ZnCl2. The enhanced-sampling ab initio molecular dynamics simulations involved Zn–Cl separation and the chloride coordination number around Zn²? as collective variables. These configurations served as the seed dataset. Subsequent active-learning cycles expanded the training set by identifying and labeling configurations that were poorly represented by the current models, thereby improving coverage of ion-association states and changes in local coordination and charge-state environments relevant to the solution free-energy landscape. For all selected configurations, single-point calculations of the total energies and atomic forces were performed within density functional theory using the CP2K Quickstep module. Reference calculations employed the revPBE-D3 and r2SCAN exchange-correlation functionals. Motivated by recent work on aqueous Zn²?, the main revPBE calculations omitted D3 dispersion contributions involving Zn²?, while retaining the D3 correction for water and chloride. For comparison, fully dispersion-corrected revPBE-D3 reference calculations were also performed, with D3 applied to all species, including Zn²?. Valence electrons were treated explicitly, while core electrons were represented using norm-conserving Goedecker–Teter–Hutter pseudopotentials. The wave functions were expanded using the mixed Gaussian-and-plane-wave scheme with TZV2P-MOLOPT basis sets for all elements and a 600 Ry auxiliary plane-wave cutoff for the electron density. Self-consistent-field convergence was accelerated using the orbital-transformation and Direct Inversion in the Iterative Subspace algorithms, with a convergence threshold of 10?6. All single-point calculations were performed in periodic orthorhombic cells. The CELL_REF keyword in CP2K was used to define a fixed reference cell with a box length of 25 Å. This treatment ensured a consistent reference for configurations extracted from NpT trajectories with fluctuating cell dimensions. The resulting DFT energies and atomic forces constitute the ground-truth labels used to train the MLIPs. The resulting MLIP was trained for aqueous ZnCl2 solutions spanning concentrations from 0 to 30 molal and a broad pH range, from strongly acidic to strongly basic conditions. Representative examples of configurations included in the MLIP training dataset are provided below. These include 1) Representative configurations from the dataset labeled at the revPBE-D3 level, with D3 dispersion interactions involving Zn2+ excluded (revPBE-wo-D3). 2) Representative configurations from the dataset labeled at the fully dispersion-corrected revPBE-D3 level, with D3 interactions applied to all species, including Zn2+ (revPBE-D3). 3) Representative configurations from the dataset labeled at the r2SCAN level of theory (r2SCAN).

Dinpajooh, Mohammadhasan [Pacific Northwest Nation↗
NASA NTRS1993

Simulation of sloshing dynamics induced forces and torques actuated on dewar container driven by gravity gradient and jitter accelerations in microgravity

Some experimental spacecraft use superconducting sensors for gyro read-out and so must be maintained at a very low temperature. The boil-off from the cryogenic liquid used to cool the sensors can also be used, as the Gravity Probe B (GP-B) spacecraft does, as propellant to maintain attitude control and drag-free operation of the spacecraft. The cryogenic liquid for such spacecraft is, however, susceptible to both slosh-like motion and non-axisymmetric configurations under the influence of various kinds of gravity jitter and gravity gradient accelerations. Hence, it is important to quantify the magnitude of the liquid-induced perturbations on the spacecraft. We use the example of the GP-B to investigate such perturbations by numerical simulations. For this spacecraft disturbances can be imposed on the liquid by atmospheric drag, spacecraft attitude control maneuvers, and the earth's gravity gradient. More generally, onboard machinery vibrations and crew motion can also create disturbances. Recent studies suggest that high frequency disturbances are relatively unimportant in causing liquid motions in comparison to low frequency ones. The results presented here confirm this conclusion. After an initial calibration period, the GP-B spacecraft rotates in orbit at 0.1 rpm about the tank symmetry axis. For this rotation rate, the equilibrium liquid free surface shape is a 'doughnut' configuration for all residual gravity levels of 10(exp -6) g(sub 0) or less, as shown by experiments and by numerical simulations; furthermore, the superfluid behavior of the 1.8 K liquid helium used in GP-B eliminates temperature gradients and therefore such effects as Marangoni convection do not have to be considered. Classical fluid dynamics theory is used as the basis of the numerical simulations here, since Mason's experiments show that the theory is applicable for cryogenic liquid helium in large containers. To study liquid responses to various disturbances, we investigate and simulate three levels of gravity jitter (10(exp -6), 10(exp -7), and 10(exp -8) g(sub 0)) each at three predominant frequencies (0.1, 1.0, and 10 Hz), combined with a gravity gradient appropriate for the GP-B orbit. Dynamical evolution of sloshing dynamics excited fluid forces and torque fluctuations exerted on the dewar container driven by the combined gravity gradient and jitter accelerations are also investigated and simulated.

Hung, R. J.↗
NASA NTRS1975

Drift-free magnetic geometries in adiabatic motion

There exist magnetic fields in which particles bouncing between mirror points experience no net first-order guiding center drift. In such fields, even though the instantaneous gradient and curvature drifts are not zero, their total effect integrated over any bounce period vanishes, so that particles merely wobble back and forth around fixed field lines. A class of two-dimensional drift-free fields, somewhat resembling the configuration found in the geomagnetic tail, is described; several proofs of the drift-free property are given, including some that suggest that the property of vanishing net drift might extend to nonadiabatic orbits. A general criterion for identifying drift-free fields is developed, and a case of motion in a nearly drift-free field is also investigated. The theory is applied to the plasma sheet in the earth's magnetotail, and observational evidence is presented suggesting that the magnetic field there indeed approaches a drift-free configuration.

Stern, D. P.↗
DOE OSTI2022

Quantum Chemical Treatment of Strongly Correlated Magnetic Systems Based on Heavy Elements. Final Report

The objective of this project over the years has been to develop novel quantum chemical methods and employ them to study the chemistry of systems containing actinides, and transactinides. We have focused on their electronic and spectroscopic properties, their reactivity and utilization as single molecule magnets. We have developed wave-function based methods that are optimal to treat strongly correlated systems, namely systems with many electronic configurations that are all important and should be treated on an equal foot. Moreover, relativistic effects have to be included in the model, with special focus on spin-orbit coupling. We have derived our theories and developed our codes and made them available to the community as parts of open source packages. We have modelled systems in collaboration with experimentalists in the program, so that we could address some of the questions that are relevant to this community. We have also worked in collaboration with people at Lawrence Livermore National Laboratories on a project on super-heavy atoms. We hope that our theoretical predictions will inspire novel experiments. We have trained about 10 students/postdocs during this period, which are now faculty, researchers at national laboratories and in companies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Marginally Stable Nuclear Burning

Thermonuclear X-ray bursts result from unstable nuclear burning of the material accreted on neutron stars in some low mass X-ray binaries (LMXBs). Theory predicts that close to the boundary of stability oscillatory burning can occur. This marginally stable regime has so far been identified in only a small number of sources. We present Rossi X-ray Timing Explorer (RXTE) observations of the bursting, high- inclination LMXB 4U 1323-619 that reveal for the first time in this source the signature of marginally stable burning. The source was observed during two successive RXTE orbits for approximately 5 ksec beginning at 10:14:01 UTC on March 28, 2011. Significant mHz quasi- periodic oscillations (QPO) at a frequency of 8.1 mHz are detected for approximately 1600 s from the beginning of the observation until the occurrence of a thermonuclear X-ray burst at 10:42:22 UTC. The mHz oscillations are not detected following the X-ray burst. The average fractional rms amplitude of the mHz QPOs is 6.4% (3 - 20 keV), and the amplitude increases to about 8% below 10 keV.This phenomenology is strikingly similar to that seen in the LMXB 4U 1636-53. Indeed, the frequency of the mHz QPOs in 4U 1323-619 prior to the X-ray burst is very similar to the transition frequency between mHz QPO and bursts found in 4U 1636-53 by Altamirano et al. (2008). These results strongly suggest that the observed QPOs in 4U 1323-619 are, like those in 4U 1636-53, due to marginally stable nuclear burning. We also explore the dependence of the energy spectrum on the oscillation phase, and we place the present observations within the context of the spectral evolution of the accretion-powered flux from the source.

Strohmayer, Tod E.↗
NASA NTRS2001

Third Workshop on Photometry

The discoveries of extrasolar planets by Wolszczan, Mayor and Queloz, Butler et al., and others have stimulated a widespread effort to obtain a body of data sufficient to understand their occurrence and characteristics. Doppler velocity techniques have found dozens of extrasolar planets with masses similar to that of Jupiter. Approximately ten percent of the stars that show planets with orbital periods of a few days to a week are expected to show transits. With the mass obtained from Doppler velocity measurements and the size from transit photometry, the densities of the planets can be determined. Theoretical models of the structure of "hot Jupiters" (i.e., those planets within a tenth of an astronomical unit (AU) of the parent star) indicate that these planets should be substantially larger in size and lower in density than Jupiter. Thus the combination of transit and Doppler velocity measurements provide a critical test of the theories of planetary structure. Furthermore, because photometry can be done with small-aperture telescopes rather than requiring the use of much larger telescopes, transit photometry should also reduce the cost of discovering extrasolar planets.

Borucki, William J.↗