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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Modeling of A Large-Scale Liquid Oxygen Propellant Transfer Test

Current planned NASA missions to the Moon and Mars involve the transfer of cryogenic propellants in orbit. Correctly predicting the flow rate during the propellant transfer operation could help with planning these operations. In lieu of expensive tests conducted on-orbit, accurate predictive computational models of these propellant transfer processes can be used to predict the propellant transfer flow rate. To gain confidence in these computational models, appropriate anchoring and validation to experimental data can be performed. Ground tests conducted at SpaceX involving the transfer of liquid oxygen were carried out to investigate the effect of the thermodynamic conditions including inlet pressure and temperature and downstream pressure on the flow rate. The results from the test were compared against flow rate predictions from a commercially available two-phase flow software. On average the model predicted the flow rates within 10% of the experimentally observed flow rates for the full range of thermodynamic inlet and outlet conditions.

Daniel Hauser↗
DOE OSTI2017

On the Post-Keplerian Corrections to the Orbital Periods of a Two-body System and Their Application to the Galactic Center

We perform detailed numerical analyses of the orbital motion of a test particle around a spinning primary, with the aim of investigating the possibility of using the post-Keplerian (pK) corrections to the orbiter’s periods (draconitic, anomalistic, and sidereal) as a further opportunity to perform new tests of post-Newtonian gravity. As a specific scenario, the S-stars orbiting the massive black hole (MBH) supposedly lurking in Sgr A* at the center of the Galaxy are adopted. We first study the effects of the pK Schwarzchild, Lense–Thirring, and quadrupole moment accelerations experienced by a target star for various possible initial orbital configurations. It turns out that the results of the numerical simulations are consistent with the analytical ones in the small eccentricity approximation for which almost all the latter ones were derived. For highly elliptical orbits, the sizes of the three pK corrections considered turn out to increase remarkably. The periods of the observed S2 and S0-102 stars as functions of the MBH’s spin axis orientation are considered as well. The pK accelerations lead to corrections of the orbital periods of the order of 1–100 days (Schwarzschild), 0.1–10 hr (Lense–Thirring), and 1–10{sup 3} s (quadrupole) for a target star with a = 300–800 au and e ≈ 0.8, which could be measurable with future facilities.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Determination of ocean tides from the first year of TOPEX/POSEIDON altimeter measurements

An improved geocentric global ocean tide model has been determined using 1 year of TOPEX/POSEIDON altimeter measurements to provide corrections to the Cartwright and Ray (1991) model (CR91). The corrections were determined on a 3 deg x 3 deg grid using both the harmonic analysis method and the response method. The two approaches produce similar solutions. The effect on the tide solution of simultaneously adjusting radial orbit correction parameters using altimeter measurements was examined. Four semidiurnal (N(sub 2), M(sub 2), S(sub 2) and K(sub 2)), four diurnal (Q(sdub 1), O(sub 1), P(sub 1), and K(sub 1)), and three long-period (S(sub sa), M(sub m), and M(sub f)) constituents, along with the variations at the annual frequency, were included in the harmomnic analysis solution. The observed annual variations represents the first global measurement describing accurate seasonal changes of the ocean during an El Nino year. The corrections to the M(sub 2) constituent have an root mean square (RMS) of 3.6 cm and display a clear banding pattern with regional highs and lows reaching 8 cm. The improved tide model reduces the weighted altimeter crossover residual from 9.8 cm RMS, when the CR91 tide model is used, to 8.2 cm on RMS. Comparison of the improved model to pelagic tidal constants determined from 80 tide gauges gives RMS differences of 2.7 cm for M(sub 2) and 1.7 cm for K(sub 1). Comparable values when the CR91 model is used are 3.9 cm and 2.0 cm, respectively. Examination of TOPEX/POSEIDON sea level anomaly variations using the new tide model further confirms that the tide model has been improved.

Ma, X. C.↗
DOE OSTI2022

Chemical bonding in actinyl( V / VI ) dipyriamethyrin complexes for the actinide series from americium to californium: a computational investigation

The separation of minor actinides in their dioxocation (i.e., actinyl) form in high-valence oxidation states requires efficient ligands for their complexation. Here, in this work, we evaluate the complexation properties of actinyls including americyl, curyl, berkelyl, and californyl in their pentavalent and hexavalent oxidation states with the dipyriamethyrin ligand (L) using density functional theory calculations. The calculated bond parameters show shorter An&#x2550O yl bonds with covalent character and longer An–N bonds with ionic character. The bonding between the actinyl cation and the ligand anion shows a flow of charges from the ligand to actinyl in all [An V/VI O 2 –L] 1–/0 complexes. However, across the series, backdonation of charges from the metal to the ligand becomes prominent and stabilizes the complexes. The thermodynamic parameters in the gas phase and solution suggest that the complex formation reaction is spontaneous for [Cf V/VI O 2 –L] 1–/0 complexes and spontaneous at elevated temperatures (>298.15 K) for all other complexes. Spin–orbit corrections have a quantitative impact while the overall trend remains the same. Energy decomposition analysis (EDA) reveals that the interaction between actinyl and the ligand is mainly due to electrostatic contributions that decrease from Am to Cf along with an increase in orbital contributions due to the backdonation of charges from the actinyl metal center to the ligand that greatly stabilizes the Cf complex. The repulsive Pauli energy contribution is observed to increase in the case of [An V O 2 –L] 1– complexes from Am to Cf while a decrease is observed among [An VI O 2 –L] 0 complexes, showing minimum repulsion in [Cf VI O 2 –L] 0 complex formation. Overall, the hexavalent actinyl complexes show greater stability (increasing from Am to Cf) than their pentavalent counterparts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

Four-Formation In-Track Configuration Maintenance Strategy

The aim of this paper is to present the analysis conducted by CNES for the maintenance of a formation made of several LEO satellites (typically 4) in several planes (typically 2), 100 km or so apart from each other. The along-track separations between the satellites have to be controlled to within 15 km thanks to orbit correction maneuvers supposed to be performed every 2 weeks. The main difficulty is related to solar activity which is expected to be close to its maximum for the entire mission s lifespan. As a matter of fact, a high solar activity makes orbit prediction harder, and makes it impossible to keep the altitude of the formation constant. Thus, a specific relative maintenance strategy had to be devised in order to meet the mission's requirements. The first part provides a few elements on the mission analysis process that has taken place. The method used for the evaluation of the maneuver frequency is detailed, based on the evaluation of the effects of atmospheric drag on the orbit. The second part is dedicated to the maintenance strategy that has been designed, and particularly to the computation of the reference orbits and of the velocity increments that enable the in-track inter-satellite distances to be maintained within the desired bounds. Finally a few simulation results are presented; they enable the performance of the maintenance strategy to be checked in a more realistic context.

Lamy, Alain↗
DOE OSTI2017

Relativistic Corrections to the Energy of the Electron in a Hydrogenlike Atom

Using the previously found solution of the Dirac equation for an electron in the field of the nucleus (Ze), expressed in terms of the eigenfunction of the spin projection operator Σ{sub 3}, in the expansion in the small parameter (Zα), α = е{sup 2}/ħс ≈ 1/137, relativistic and spin-orbit corrections to the energy of the electron in a hydrogenlike atom are calculated, where the latter, in our view, are represented in an easier to visualize form in comparison with previously known classical results. This work may be of methodological interest in the sense of some modification of the corresponding sections of the traditional course on quantum mechanics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Shrinking Self-Interaction Errors with the Fermi–Löwdin Orbital Self-Interaction-Corrected Density Functional Approximation

The self-interaction error (SIE) is one of the major drawbacks of practical exchange-correlation functionals for Kohn-Sham density functional theory. Despite this, the use of methods that explicitly remove SIE from approximate density functionals is scarce in the literature due to their relatively high computational cost and lack of consistent improvement over standard modern functionals. Here, we assess the performance of a novel approach recently proposed by Pederson, Ruzsinszky, and Perdew for performing self-interaction free calculations in density functional theory based on Fermi-orbitals. To this end, we employ test sets consisting of reaction energies that are considered particularly sensitive to SIE. We found that the parameter-free Fermi-Löwdin orbital self-interaction correction method combined with standard local spin density approximation (LSDA) and Perdew-Burke-Ernzerhof (PBE) functionals gives a much better estimate of reaction energies compared to their parent LSDA and PBE functionals for most of the reactions in these two sets. They also perform on par with the global PBE0 and range-separated LC-ωPBE hybrids, which partially eliminate the SIE by including Hartree-Fock exchange. This shows the potential of the Fermi-Löwdin orbital self-interaction corrected (FLOSIC) method for practical density functional calculations without SIE.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Suomi NPP VIIRS Prelaunch and On-orbit Geometric Calibration and Characterization

The Visible Infrared Imager Radiometer Suite (VIIRS) sensor was launched 28 October 2011 on the Suomi National Polarorbiting Partnership (SNPP) satellite. VIIRS has 22 spectral bands covering the spectrum between 0.412 m and 12.01 m, including 16 moderate resolution bands (M-bands) with a spatial resolution of 750 m at nadir, 5 imaging resolution bands (I-bands) with a spatial resolution of 375 m at nadir, and 1 day-night band (DNB) with a near-constant 750 m spatial resolution throughout the scan. These bands are located in a visible and near infrared (VisNIR) focal plane assembly (FPA), a short- and mid-wave infrared (SWMWIR) FPA and a long-wave infrared (LWIR) FPA. All bands, except the DNB, are co-registered for proper environmental data records (EDRs) retrievals. Observations from VIIRS instrument provide long-term measurements of biogeophysical variables for climate research and polar satellite data stream for the operational communitys use in weather forecasting and disaster relief and other applications. Well Earth-located (geolocated) instrument data is important to retrieving accurate biogeophysical variables. This paper describes prelaunch pointing and alignment measurements, and the two sets of on-orbit correction of geolocation errors, the first of which corrected error from 1,300 m to within 75 m (20 I-band pixel size), and the second of which fine tuned scan angle dependent errors, bringing VIIRS geolocation products to high maturity in one and a half years of the SNPP VIIRS on-orbit operations. Prelaunch calibration and the on-orbit characterization of sensor spatial impulse responses and band-to-band co-registration (BBR) are also described.

Geolocation↗
DOE OSTI2019

WISE J072003.20-084651.2B is a Massive T Dwarf

We present individual dynamical masses for the nearby M9.5+T5.5 binary WISE J072003.20-084651.2AB, a.k.a. Scholz’s star. Combining high-precision Canada–France–Hawaii Telescope/WIRCam photocenter astrometry and Keck adaptive optics resolved imaging, we measure the first high-quality parallactic distance ($6.80^{+0.05}_{-0.06}$ pc) and orbit ($8.06^{+0.24}_{-0.25}$yr period) for this system composed of a low-mass star and brown dwarf. We find a moderately eccentric orbit ($e = 0.240^{+0.009}_{-0.010}$), incompatible with previous work based on less data, and dynamical masses of 99 ± 6 M Jup and 66 ± 4 M Jup for the two components. The primary mass is marginally inconsistent (2.1σ) with the empirical mass–magnitude–metallicity relation and models of main-sequence stars. The relatively high mass of the cold (T eff = 1250 ± 40 K) brown dwarf companion indicates an age older than a few gigayears, in accord with age estimates for the primary star, and is consistent with our recent estimate of ≈70 M Jup for the stellar/substellar boundary among the field population. Our improved parallax and proper motion, as well as an orbit-corrected system velocity, improve the accuracy of the system’s close encounter with the solar system by an order of magnitude. WISE J0720-0846AB passed within 68.7 ± 2.0 kau of the Sun 80.5 ± 0.7 kyr ago, passing through the outer Oort cloud where comets can have stable orbits.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1995

Effects of target fragmentation on evaluation of LET spectra from space radiation in low-earth orbit (LEO) environment: impact on SEU predictions

Recent improvements in the radiation transport code HZETRN/BRYNTRN and galactic cosmic ray environmental model have provided an opportunity to investigate the effects of target fragmentation on estimates of single event upset (SEU) rates for spacecraft memory devices. Since target fragments are mostly of very low energy, an SEU prediction model has been derived in terms of particle energy rather than linear energy transfer (LET) to account for nonlinear relationship between range and energy. Predictions are made for SEU rates observed on two Shuttle flights, each at low and high inclination orbit. Corrections due to track structure effects are made for both high energy ions with track structure larger than device sensitive volume and for low energy ions with dense track where charge recombination is important. Results indicate contributions from target fragments are relatively important at large shield depths (or any thick structure material) and at low inclination orbit. Consequently, a more consistent set of predictions for upset rates observed in these two flights is reached when compared to an earlier analysis with CREME model. It is also observed that the errors produced by assuming linear relationship in range and energy in the earlier analysis have fortuitously canceled out the errors for not considering target fragmentation and track structure effects.

STS-51 Shuttle Project↗
NASA NTRS1995

Effects of Target Fragmentation on Evaluation of LET Spectra From Space Radiation in Low-Earth Orbit (LEO) Environment: Impact on SEU Predictions

Recent improvements in the radiation transport code HZETRN/BRYNTRN and galactic cosmic ray environmental model have provided an opportunity to investigate the effects of target fragmentation on estimates of single event upset (SEU) rates for spacecraft memory devices. Since target fragments are mostly of very low energy, an SEU prediction model has been derived in terms of particle energy rather than linear energy transfer (LET) to account for nonlinear relationship between range and energy. Predictions are made for SEU rates observed on two Shuttle flights, each at low and high inclination orbit. Corrections due to track structure effects are made for both high energy ions with track structure larger than device sensitive volume and for low energy ions with dense track where charge recombination is important. Results indicate contributions from target fragments are relatively important at large shield depths (or any thick structure material) and at low inclination orbit. Consequently, a more consistent set of predictions for upset rates observed in these two flights is reached when compared to an earlier analysis with CREME model. It is also observed that the errors produced by assuming linear relationship in range and energy in the earlier analysis have fortuitously canceled out the errors for not considering target fragmentation and track structure effects.

Shinn, J. L.↗
DOE OSTI2019

Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments

Abstract Electron momentum spectroscopy, scanning tunneling microscopy, and photoelectron spectroscopy provide unique information about electronic structure, but their interpretation has been controversial. This essay discusses a framework for interpretation. Although this interpretation is not new, we believe it is important to present this framework in light of recent publications. The key point is that these experiments provide information about how the electron distribution changes upon ionization, not how electrons behave in the pre‐ionized state. Therefore, these experiments do not lead to a “selection of the correct orbitals” in chemistry and do not overturn the well‐known conclusion that both delocalized molecular orbitals and localized molecular orbitals are useful for interpreting chemical structure and dynamics. The two types of orbitals can produce identical total molecular electron densities and therefore molecular properties. Different types of orbitals are useful for different purposes.

Truhlar, Donald G.↗
DOE OSTI2019

Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments

Abstract Electron momentum spectroscopy, scanning tunneling microscopy, and photoelectron spectroscopy provide unique information about electronic structure, but their interpretation has been controversial. This essay discusses a framework for interpretation. Although this interpretation is not new, we believe it is important to present this framework in light of recent publications. The key point is that these experiments provide information about how the electron distribution changes upon ionization, not how electrons behave in the pre‐ionized state. Therefore, these experiments do not lead to a “selection of the correct orbitals” in chemistry and do not overturn the well‐known conclusion that both delocalized molecular orbitals and localized molecular orbitals are useful for interpreting chemical structure and dynamics. The two types of orbitals can produce identical total molecular electron densities and therefore molecular properties. Different types of orbitals are useful for different purposes.

Truhlar, Donald G.↗
NASA NTRS2015

A New Lunar Digital Elevation Model from the Lunar Orbiter Laser Altimeter and SELENE Terrain Camera

We present an improved lunar digital elevation model (DEM) covering latitudes within +/-60 deg, at a horizontal resolution of 512 pixels per degree ( approx.60 m at the equator) and a typical vertical accuracy approx.3 to 4 m. This DEM is constructed from approx.4.5 ×10(exp 9) geodetically-accurate topographic heights from the Lunar Orbiter Laser Altimeter (LOLA) onboard the Lunar Reconnaissance Orbiter, to which we co-registered 43,200 stereo-derived DEMs (each 1 deg×1 deg) from the SELENE Terrain Camera (TC) ( approx.10(exp 10) pixels total). After co-registration, approximately 90% of the TC DEMs show root-mean-square vertical residuals with the LOLA data of < 5 m compared to approx.50% prior to co-registration. We use the co-registered TC data to estimate and correct orbital and pointing geolocation errors from the LOLA altimetric profiles (typically amounting to < 10 m horizontally and < 1 m vertically). By combining both co-registered datasets, we obtain a near-global DEM with high geodetic accuracy, and without the need for surface interpolation. We evaluate the resulting LOLA + TC merged DEM (designated as "SLDEM2015") with particular attention to quantifying seams and crossover errors.

Barker, M. K.↗
NASA NTRS1973

Orbit improvement from satellite imaging data obtainable from outer planet missions.

Equations of motion are established for a dynamical 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 a simultaneous orbit correction of n interacting bodies, a notably compact set of variational equations is derived. The above system of differential equations is integrated numerically on a computer. Spacecraft-satellite direction measurements accurate to plus or minus 10 sec were simulated along three representative trajectories (Mariner/Jupiter/Saturn 1977 missions) approaching Io, Titan, and Iapetus to within 41000, 13000, and 7000 km, respectively. The paper concludes with a brief discussion of the need for future work on the orbits of the satellites of the outer planets.

Aksnes, K.↗
DOE OSTI2023

Density Matrix Implementation of the Fermi–Löwdin Orbital Self-Interaction Correction Method

The Fermi–Löwdin orbital self-interaction correction (FLOSIC) method effectively provides a transformation from canonical orbitals to localized Fermi–Löwdin orbitals which are used to remove the self-interaction error in the Perdew–Zunger (PZ) framework. This transformation is solely determined by a set of points in space, called Fermi–Löwdin descriptors (FODs), and the occupied canonical orbitals or the density matrix. In this work, we provide a detailed workflow for the implementation of the FLOSIC method for removal of self-interaction error in DFT calculations in an orbital-by-orbital basis that takes advantage of the unitary invariant nature of the FLOSIC method. In this way, it is possible to cast the self-consistent energy minimization at fixed FODs in the same manner than standard Kohn–Sham with one additional term in the Kohn–Sham Hamiltonian that introduces the PZ self-interaction correction. Each energy minimization iteration is divided in two substeps, one for the density matrix and one for the FODs. Expressions for the effective Kohn–Sham matrix and FOD gradients are provided such that its implementation is suitable for most electronic structure codes. Here, we analyze the convergence characteristics of the algorithm and present applications for the evaluation of NMR shielding constants and real-time time-dependent DFT simulations based on the Liouville–von Neumann equation to calculate excitation energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗