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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Molecular Electrostatic Potential and Electron Density of Large Systems in Solution Computed with the Fragment Molecular Orbital Method

A solvent screening model for the molecular electrostatic potential is developed for the fragment molecular orbital method combined with the polarizable continuum model at the Hartree–Fock and density functional theory levels. The accuracy of the generated potentials is established in comparison to calculations without fragmentation. Solvent effects upon the molecular electrostatic potential and electron density of solute are discussed. Finally, the method is applied to two proteins: chignolin (PDB: 1UAO) and ovine prostaglandin H(2) synthase-1 (1EQG).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

DYNAMICAL MEASUREMENTS OF THE YOUNG UPPER SCORPIUS TRIPLE NTTS 155808-2219

The young, low-mass, triple system NTTS 155808-2219 (ScoPMS 20) was previously identified as a {approx}17 day period single-lined spectroscopic binary (SB) with a tertiary component at 0.21 arcsec. Using high-resolution infrared spectra, acquired with NIRSPEC on Keck II, both with and without adaptive optics (AO), we measured radial velocities (RVs) of all three components. Reanalysis of the single-lined visible light observations, made from 1987 to 1993, also yielded RV detections of the three stars. Combining visible light and infrared data to compute the orbital solution produces orbital parameters consistent with the single-lined solution and a mass ratio of q = 0.78 {+-} 0.01 for the SB. We discuss the consistency between our results and previously published data on this system, our RV analysis with both observed and synthetic templates, and the possibility that this system is eclipsing, providing a potential method for the determination of the stars' absolute masses. Over the {approx}20 year baseline of our observations, we have measured the acceleration of the SB's center of mass in its orbit with the tertiary. Long-term, AO imaging of the tertiary will eventually yield dynamical data useful for component mass estimates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

TTVFast: An efficient and accurate code for transit timing inversion problems

Transit timing variations (TTVs) have proven to be a powerful technique for confirming Kepler planet candidates, for detecting non-transiting planets, and for constraining the masses and orbital elements of multi-planet systems. These TTV applications often require the numerical integration of orbits for computation of transit times (as well as impact parameters and durations); frequently tens of millions to billions of simulations are required when running statistical analyses of the planetary system properties. We have created a fast code for transit timing computation, TTVFast, which uses a symplectic integrator with a Keplerian interpolator for the calculation of transit times. The speed comes at the expense of accuracy in the calculated times, but the accuracy lost is largely unnecessary, as transit times do not need to be calculated to accuracies significantly smaller than the measurement uncertainties on the times. The time step can be tuned to give sufficient precision for any particular system. We find a speed-up of at least an order of magnitude relative to dynamical integrations with high precision using a Bulirsch-Stoer integrator.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

An improved catalog of halo wide binary candidates

We present an improved catalog of halo wide binaries compiled from an extensive literature search. Most of our binaries stem from the common proper motion binary catalogs by Allen et al. and Chanamé and Gould, but we have also included binaries from the lists of Ryan and Zapatero-Osorio and Martín. All binaries were carefully checked and their distances and systemic radial velocities are included when available. Probable membership to the halo population was tested by means of reduced proper motion diagrams for 251 candidate halo binaries. After eliminating obvious disk binaries, we ended up with 211 probable halo binaries, 150 of which have radial velocities available. We compute galactic orbits for these 150 binaries and calculate the time they spend within the galactic disk. Considering the full sample of 251 candidate halo binaries as well as several subsamples, we find that the distribution of angular separations (or expected major semiaxes) follows a power law f(a) ∼ a {sup –1} (Oepik's relation) up to different limits. For the 50 most disk-like binaries, those that spend their entire lives within z = ±500 pc, this limit is found to be 19,000 AU (0.09 pc), while for the 50 most halo-like binaries, those that spend on average only 18% of their lives within z = ±500 pc, the limit is 63,000 AU (0.31 pc). In a companion paper, we employ this catalog to establish limits on the masses of the halo massive perturbers (massive compact halo objects).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

A SURVEY OF THE HIGH ORDER MULTIPLICITY OF NEARBY SOLAR-TYPE BINARY STARS WITH Robo-AO

We conducted a survey of nearby binary systems composed of main sequence stars of spectral types F and G in order to improve our understanding of the hierarchical nature of multiple star systems. Using Robo-AO, the first robotic adaptive optics instrument, we collected high angular resolution images with deep and well-defined detection limits in the Sloan Digital Sky Survey i' band. A total of 695 components belonging to 595 systems were observed. We prioritized observations of faint secondary components with separations over 10'' to quantify the still poorly constrained frequency of their subsystems. Of the 214 secondaries observed, 39 contain such subsystems; 19 of those were discovered with Robo-AO. The selection-corrected frequency of secondary subsystems with periods from 10{sup 3.5} to 10{sup 5} days is 0.12 ± 0.03, the same as the frequency of such companions to the primary. Half of the secondary pairs belong to quadruple systems where the primary is also a close pair, showing that the presence of subsystems in both components of the outer binary is correlated. The relatively large abundance of 2+2 quadruple systems is a new finding, and will require more exploration of the formation mechanism of multiple star systems. We also targeted close binaries with periods less than 100 yr, searching for their distant tertiary components, and discovered 17 certain and 2 potential new triples. In a subsample of 241 close binaries, 71 have additional outer companions. The overall frequency of tertiary components is not enhanced, compared to all (non-binary) targets, but in the range of outer periods from 10{sup 6} to 10{sup 7.5} days (separations on the order of 500 AU), the frequency of tertiary components is 0.16 ± 0.03, exceeding the frequency of similar systems among all targets (0.09) by almost a factor of two. Measurements of binary stars with Robo-AO allowed us to compute first orbits for 9 pairs and to improve orbits of another 11 pairs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Orbital breathing effects in the computation of x-ray d -ion spectra in solids by ab initio wave-function-based methods

In existing theoretical approaches to core-level excitations of transition-metal ions in solids relaxation and polarization effects due to the inner core hole are often ignored or described phenomenologically. Here, we set up an ab initio computational scheme that explicitly accounts for such physics in the calculation of x-ray absorption and resonant inelastic x-ray scattering spectra. Good agreement is found with experimental transition-metal L-edge data for the strongly correlated d 9 cuprate Li 2 CuO 2 , for which we also determine the absolute scattering intensities. The newly developed methodology opens the way for the investigation of even more complex d n electronic structures of group VI B to VIII B correlated oxide compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

TYC 2990-127-1: An Algol-type SB2 binary system of subgiant and red giant with a probable ongoing mass-transfer

ABSTRACT We present a study of the spectroscopic binary TYC 2990-127-1 from the LAMOST survey. We use full-spectrum fitting to derive radial velocities and spectral parameters. The high mass ratio indicates that the system underwent mass transfer in the past. We compute the orbital solution and find that it is a very close sub-giant/red giant pair on circular orbit, slightly inclined to the sky-plane. Fitting of the TESS photometrical data confirms this and suggests an inclination of i ∼ 39.8°. The light curve and spectrum around Hα show signs of irregular variability, which supports ongoing mass transfer. The binary evolution simulations suggest that the binary may experience non-conservative mass transfer with accretion efficiency 0.3, and the binary will enter into common envelope (CE) phase in the subsequent evolution. The remnant product after the ejection of CE may be a detached double helium white dwarf (He WD) or a merger.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Swift Observations of SMC X-3 during Its 2016–2017 Super-Eddington Outburst

The Be X-ray pulsar SMC X-3 underwent a giant outburst from 2016 August to 2017 March, which was monitored with the Swift satellite. During the outburst, its broadband flux increased dramatically, and the unabsorbed X-ray luminosity reached an extreme value of ∼10{sup 39} erg s{sup −1} around August 24. Using the Swift/XRT data, we measured the observed pulse frequency of the neutron star to compute the orbital parameters of the binary system. After applying the orbital corrections to Swift observations, we found that the spin frequency increased steadily from 128.02 mHz on August 10 and approached the spin equilibrium of ∼128.74 mHz in 2017 January with an unabsorbed luminosity of L{sub X}∼2×10{sup 37} erg s{sup −1}, indicating a strong dipolar magnetic field of B∼6.8×10{sup 12} G at the neutron star surface. The spin-up rate is tightly correlated with its X-ray luminosity during the super-Eddington outburst. The pulse profile in the Swift/XRT data is variable, showing double peaks at the early stage of outburst and then merging into a single peak at low luminosity. Additionally, we report that a low-temperature (kT∼0.2 keV) thermal component emerges in the phase-averaged spectra as the flux decays, and it may be produced from the outer truncated disk or the boundary layer between the exterior flow and the magnetosphere.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1971

A measurement of the general relativistic time delay with data from Mariners 6 and 7

The technique for obtaining range measurements is discussed. It involves measuring elapsed time between the transmission of an encoded signal from the ground station and its return from the spacecraft. The theoretical background for the Mariner Mars 1969 relativity test is presented, including computation of orbits and time transformation. Interplanetary and coronal plasma effects on range and Doppler observations at S-band are also considered. The general relativistic propagation delay was measured and a value of 0.997 for the relativity parameter Gamma star was obtained.

Anderson, J. D.↗
NASA NTRS1972

Application of an approach and landing system model to the space shuttle orbiter vehicle

An analytic model and procedure are described which can be used to estimate probability distributions of touchdown conditions, without utilizing a Monte Carlo simulation. Example applications are presented, including one-step and two-step flare strategies for the space shuttle orbiter. The computed probability distributions for the two-step flare are compared with the corresponding histograms from an independent Monte Carlo simulation of the same situation. The computed distributions are very good fits to the Monte-Carlo-generated histograms for pertinent longitudinal and lateral variables at three points (including touchdown) along the vehicle's final approach trajectory. The model, thus verified, has more inherent power for assessing the effects of system element changes than conventional Monte Carlo techniques.

Johnson, W. A.↗
NASA NTRS1972

The effects of tracking station coordinate uncertainties on GEOS-2 orbital accuracy

Laser and minitrack observational data from GEOS-2 collected during the period April 23, 1971 to May 1971, have been used for the purpose of assessing the influence of tracking station location on the accuracy of orbit determination. These data were processed using a unified set of coordinates for the tracking station locations. Concurrently, these data were processed using nonunified station locations referred to a variety of geodetic datums. The resultant orbits based on the two different sets of station locations were compared and relative differences in the position of the satellite were determined. Differences between the two groups of orbits fitted over four-day data spans ranged from 250 meters to 500 meters for orbits derived from laser data only. For orbits observed from Minitrack data alone the relative differences in GEOS-2 spacecraft position ranged from 50 meters to 190 meters. Utilizing the laser data alone in each arc, definitive orbits were computed using the unified and nonunified station location coordinates. The differences in the satellite position in the overlap region when using the unified laser station coordinates ranged from 25 meters to 150 meters, whereas when using the nonunified laser station coordinates the differences in position ranges from 180 to 650 meters.

Glazer, J.↗
NASA NTRS1972

Study on propellant dynamics during docking

The marker-and-cell numerical technique was applied to the study of axisymmetric and two-dimensional flow of liquid in containers under low gravity conditions. The purpose of the study was to provide the capability for numerically simulating liquid propellant motion in partially filled containers during a docking maneuver in orbit. A computer program to provide this capability for axisymmetric and two-dimensional flow was completed and computations were made for a number of hypothetical flow conditions.

Feng, G. C.↗