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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Theoretical investigation of the dynamics of O({sup 1}D→{sup 3}P) electronic quenching by collision with Xe

We present the quantum close-coupling treatment of spin-orbit induced transitions between the {sup 1}D and {sup 3}P states of an atom in collisions with a closed-shell spherical partner. In the particular case of O colliding with Xe, we used electronic structure calculations to compute the relevant potential energy curves and spin-orbit coupling matrix elements. We then carried out quantum scattering calculations of integral and differential quenching cross sections as functions of the collision energy. The calculated differential cross sections for electronic quenching are in reasonable agreement with measurements [Garofalo et al., J. Chem. Phys. 143, 054307 (2015)]. The differential cross sections exhibit pronounced oscillations as a function of the scattering angle. By a semiclassical analysis, we show that these oscillations result from quantum mechanical interference between two classical paths.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1988

An accurate and efficient satellite long-term orbit predictor employing 'fictitious' mean orbital elements

By using Von Zeipel's generating function procedure the perturbing earth gravitational potential is averaged with respect to the fast variable (mean anomaly) and a set of 'fictitous' mean orbital elements which can be used as a long-term satellite orbit predictor is obtained. The set of elements is shown to be a function of the nonlinear square of the second zonal harmonic coefficient. It is found that the long-term orbit prediction using the 'fictitous' mean elements is as accurate as that using the osculating elements, but has a computing speed about two orders of magnitude faster. For short-term orbit predictions, the osculating elements approach must be used.

Tang, Charles C. H.↗
NASA NTRS1993

Superfluid Helium On-Orbit Transfer (SHOOT) flight demonstration

The Superfluid Helium On-Orbit Transfer (SHOOT) Flight Demonstration was an attached Shuttle payload mounted on a Hitchhiker cross-bay carrier which flew on STS-57 in June of 1993. SHOOT successfully demonstrated the handling and transfer of superfluid helium between two containers, called dewars, in low gravity. SHOOT was a class C payload and for the STS-57 mission was termed a complex secondary payload. The primaries were the retrieval of the EURECA carrier and a collection of modular experiments contained in SPACEHAB. Because the liquid helium was continuously boiling off, SHOOT's activities were scheduled for the first three days of the mission, concurrent with some SPACEHAB experiments, but well before the EURECA retrieval. Control of the SHOOT experiment was highly interactive and originated primarily from the Goddard Payload Operations and Control Center (POCC). Transfer and calibration activities required continuous command windows of up to 50 minutes duration and up to 80 minutes out of each orbit. Occasionally the crew controlled the experiment using the Payload General Support Computer (PGSC) when near-real time control and monitoring was required. SHOOT also placed considerable demands on the orbiter, including a pitch rotation of 3 deg./sec for 15 minutes, and translational burns using both the aft and forward RCS jets to generate accelerations up to 7 milli-g. The basis for these and other requirements are discussed. Interacion with the crew and timing of crew activity during the mission will be detailed. The processing flow of SHOOT at KSC is described with emphasis on the tradeoffs for vertical, as opposed to horizontal, installation in the orbiter. Finally, some lessons learned are presented that are relevant to future cryogenic and Hitchhiker payloads.

Shirron, Peter↗
NASA NTRS2000

The Evolution and Disruption of Planetary Systems

Planetary systems that encounter passing stars can experience severe orbital disruption, and the efficiency of this process is greatly enhanced when the impinging systems are binary pairs rather than single stars. Using a Monte Carlo approach, we have performed nearly half a million numerical experiments to examine the long term ramifications of planetary scattering on planetary systems. We have concluded that systems which form in dense environments such as Orion's Trapezium cluster have roughly a ten percent chance of being seriously disrupted. We have also used our programs to explore the long-term prospects for our own Solar system. Given the current interstellar environment, we have computed the odds that Earth will find its orbit seriously disrupted prior to the emergence of a runaway greenhouse effect driven by the Sun's increasing luminosity. This estimate includes both direct disruption events and scattering processes that seriously alter the orbits of the Jovian planets, which then force severe changes upon the Earth's orbit. We then explore the consequences of the Earth being thrown into deep space. The surface biosphere would rapidly shut down under conditions of zero insolation, but the Earth's radioactive heat is capable of maintaining life deep underground, and perhaps in hydrothermal vent communities, for some time to come. Although unlikely for the Earth, this scenario may be common throughout the universe, since many environments where liquid water could exist (e.g., Europa and Callisto) must derive their energy from internal (rather than external) heating.

Laughlin, Gregory↗
DOE OSTI2018

Non-orthogonal determinants in multi-Slater-Jastrow trial wave functions for fixed-node diffusion Monte Carlo

The accuracy and efficiency of ab initio Quantum Monte Carlo (QMC) algorithms benefit greatly from compact variational trial wave functions that accurately reproduce ground state properties of a system. We investigate the possibility of using multi-Slater-Jastrow trial wave functions with non-orthogonal determinants by optimizing identical single particle orbitals independently in separate determinants. As a test case, we compute variational and fixed-node diffusion Monte Carlo (FN-DMC) energies of a C 2 molecule. For a given multi-determinant expansion, we find that this non-orthogonal orbital optimization results in a consistent improvement in the variational energy and the FN-DMC energy on the order of a few tenths of an eV. In some cases, fewer non-orthogonal determinants are required compared to orthogonal ones in order to achieve similar accuracy in FN-DMC. Our calculations indicate that trial wave functions with non-orthogonal determinants can improve computed energies in a QMC calculation when compared to their orthogonal counterparts.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Exploiting a Shortcoming of Coupled-Cluster Theory: The Extent of Non-Hermiticity as a Diagnostic Indicator of Computational Accuracy

The fundamental non-Hermitian nature of the forms of the coupled-cluster (CC) theory widely used in quantum chemistry has usually been viewed as a negative, but the present paper shows how this can be used to an advantage. Specifically, the non-symmetric nature of the reduced one-particle density matrix (in the molecular orbital basis) is advocated as a diagnostic indicator of computational quality. In the limit of the full coupled-cluster theory [which is equivalent to full configuration interaction (FCI)], the electronic wave function and correlation energy are exact within a given one-particle basis set, and the symmetric character of the exact density matrix is recovered. The extent of the density matrix asymmetry is shown to provide a measure of “how difficult the problem is” (like the well-known T 1 diagnostic), but its variation with the level of theory also gives information about “how well this particular method works”, irrespective of the difficulty of the problem at hand. The proposed diagnostic is described and applied to a select group of small molecules, and an example of its overall utility for the practicing quantum chemist is illustrated through its application to the beryllium dimer (Be 2 ). Future application of this idea to excited states, open-shell systems, and symmetry-breaking problems and an extension of the method to the two-particle density are then proposed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Spatio-Temporal Data Analysis at Scale Using Models Based on Gaussian Processes

Gaussian processes are the most commonly used statistical model for spatial and spatio-temporal processes that vary continuously. They are broadly applicable in the physical sciences and engineering and are also frequently used to approximate the output of complex computer models, deterministic or stochastic. We undertook research related to theory, computation, and applications of Gaussian processes as well as some work on estimating extremes of distributions for which a Gaussian process assumption might be inappropriate. Our theoretical contributions include the development of new classes of spatial-temporal covariance functions with desirable properties and new results showing that certain covariance models lead to predictions with undesirable properties. To understand how Gaussian process models behave when applied to deterministic computer models, we derived what we believe to be the first significant results on the large sample properties of estimators of parameters of Gaussian processes when the actual process is a simple deterministic function. Finally, we investigated some theoretical issues related to maxima of observations with varying upper bounds and found that, depending on the circumstances, standard large sample results for maxima may or may not hold. Our computational innovations include methods for analyzing large spatial datasets when observations fall on a partially observed grid and methods for estimating parameters of a Gaussian process model from observations taken by a polar-orbiting satellite. In our application of Gaussian process models to deterministic computer experiments, we carried out some matrix computations that would have been infeasible using even extended precision arithmetic by focusing on special cases in which all elements of the matrices under study are rational and using exact arithmetic. The applications we studied include total column ozone as measured from a polar-orbiting satellite, sea surface temperatures over the Pacific Ocean, and annual temperature extremes at a site in New York City. In each of these applications, our theoretical and computational innovations were directly motivated by the challenges posed by analyzing these and similar types of data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Synchronizing noisy nonidentical oscillators by transient uncoupling

Synchronization is the process of achieving identical dynamics among coupled identical units. If the units are different from each other, their dynamics cannot become identical; yet, after transients, there may emerge a functional relationship between them—a phenomenon termed “generalized synchronization.” Here, we show that the concept of transient uncoupling, recently introduced for synchronizing identical units, also supports generalized synchronization among nonidentical chaotic units. Generalized synchronization can be achieved by transient uncoupling even when it is impossible by regular coupling. We furthermore demonstrate that transient uncoupling stabilizes synchronization in the presence of common noise. Transient uncoupling works best if the units stay uncoupled whenever the driven orbit visits regions that are locally diverging in its phase space. Thus, to select a favorable uncoupling region, we propose an intuitive method that measures the local divergence at the phase points of the driven unit's trajectory by linearizing the flow and subsequently suppresses the divergence by uncoupling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1990

Progress in hypersonic combustion technology with computation and experiment

Design of successful airbreathing engines for operation at near-orbital speeds presents significant challenges in all the disciplines involved, including propulsion. This paper presents a discussion of the important physics of hypersonic combustion and an assessment of the state of the art of ground simulations with pulse facilities and with computational techniques. Recent examples of experimental and computational simulations are presented and discussed. The need for continued application of these tools to establish the credibility and fidelity of engineering design methods for practical hypersonic combustors is emphasized along with the critical need for improved diagnostic methods for hypervelocity reacting flows.

Anderson, Griffin Y.↗
NASA NTRS1982

An evaluation of Space Shuttle STS-2 payload bay acoustic data and comparison with predictions

Space average sound pressure levels computed from measurements at 18 locations in the payload bay of the Space Shuttle orbiter vehicle during the STS-2 launch were compared with predicted levels obtained using the PACES computer program. The comparisons were performed over the frequency range 12.5 Hz to 1000 Hz, since the test data at higher frequencies are contaminated by instrumentation background noise. In general the PACES computer program tends to overpredict the space average sound levels in the payload bay, although the magnitude of the discrepancy is usually small. Furthermore the discrepancy depends to some extent on the manner in which the payload is modeled analytically, and the method used to determine the "measured' space average sound pressure levels. Thus the difference between predicted and measured sound levels, averaged over the 20 one third octave bands from 12.5 Hz to 1000 Hz, varies from 1 dB to 3.5 dB.

Wilby, J. F.↗
NASA NTRS1996

Effects of target fragmentation on evaluation of LET spectra from space radiations: implications for space radiation protection studies

We present calculations of linear energy transfer (LET) spectra in low earth orbit from galactic cosmic rays and trapped protons using the HZETRN/BRYNTRN computer code. The emphasis of our calculations is on the analysis of the effects of secondary nuclei produced through target fragmentation in the spacecraft shield or detectors. Recent improvements in the HZETRN/BRYNTRN radiation transport computer code are described. Calculations show that at large values of LET (> 100 keV/micrometer) the LET spectra seen in free space and low earth orbit (LEO) are dominated by target fragments and not the primary nuclei. Although the evaluation of microdosimetric spectra is not considered here, calculations of LET spectra support that the large lineal energy (y) events are dominated by the target fragments. Finally, we discuss the situation for interplanetary exposures to galactic cosmic rays and show that current radiation transport codes predict that in the region of high LET values the LET spectra at significant shield depths (> 10 g/cm2 of Al) is greatly modified by target fragments. These results suggest that studies of track structure and biological response of space radiation should place emphasis on short tracks of medium charge fragments produced in the human body by high energy protons and neutrons.

NASA Discipline Radiation Health↗
NASA NTRS1982

Scout trajectory error propagation computer program

Since 1969, flight experience has been used as the basis for predicting Scout orbital accuracy. The data used for calculating the accuracy consists of errors in the trajectory parameters (altitude, velocity, etc.) at stage burnout as observed on Scout flights. Approximately 50 sets of errors are used in Monte Carlo analysis to generate error statistics in the trajectory parameters. A covariance matrix is formed which may be propagated in time. The mechanization of this process resulted in computer program Scout Trajectory Error Propagation (STEP) and is described herein. Computer program STEP may be used in conjunction with the Statistical Orbital Analysis Routine to generate accuracy in the orbit parameters (apogee, perigee, inclination, etc.) based upon flight experience.

Myler, T. R.↗
DOE OSTI2026

Witnessing Spin-Orbital Entanglement Using Resonant Inelastic X-Ray Scattering

Entanglement plays a central role in quantum technologies, yet its characterization and control in materials remain challenging. Recent developments in spectrum-based entanglement witnesses have enabled new strategies for quantifying many-body entanglement in macroscopic materials. Here, in this work, we develop a protocol for detecting spin-orbital entanglement using experiment-accessible resonant inelastic x-ray scattering. Central to our approach is the construction of a Hermitian generator from measurable spectra, which allows us to compute the quantum Fisher information (QFI) available in spin-orbital systems. The resulting QFI provides upper bounds for 𝑘-producible states and thus serves as a robust witness of spin-orbital entanglement. To account for realistic experimental limitations, we further extend our framework to include relaxed QFI bounds applicable to measurements lacking full polarization resolution.

entanglement detection↗
NASA NTRS1986

Predicting the Cosmic-Ray Environment Near Earth

Package of computer programs developed to predict cosmic-ray environment for spacecraft in orbit near Earth. Single cosmic-ray particle deposits enough electrical charge on sensitive area of individual circuit to change bit state. Single-event upsets may not cause permanent damage but upset functioning devices. Used to predict upset rate for space mission. Also calculates time-average cosmic-ray environment for multiple circular orbits, fragments of trajectories, and isolated points. Package written in HPL for interactive execution and implemented on HP 9825B desktop computer.

Edmonds, L.↗
NASA NTRS2003

Ultraviolet and Visible Emission Mechanisms in Astrophysics

The project involved the study of ultraviolet (UV) and visible emission mechanisms in astrophysical and atmospheric environments. In many situations, the emission is a direct consequence of a charge transferring collision of an ion with a neutral with capture of an electron to an excited state of the product ion. The process is also important in establishing the ionization and thermal balance of an astrophysical plasma. As little of the necessary collision data are available, the main thrust of the project was the calculation of total and state-selective charge transfer cross sections and rate coefficients for a very large number of collision systems. The data was computed using modern explicit techniques including the molecular-orbital close-coupling (MOCC), classical trajectory Monte Carlo (CTMC), and continuum distorted wave (CDW) methods. Estimates were also made in some instances using the multichannel Landau-Zener (MCLZ) and classical over-the-barrier (COB) models. Much of the data which has been computed has been formatted for inclusion in a charge transfer database on the World Wide Web (cfadc.phy.ornl.gov/astro/ps/data/). A considerable amount of data has been generated during the lifetime of the grant. Some of it has not been analyzed, but it will be as soon as possible, the data placed on our website, and papers ultimately written.

Stancil, Phillip C.↗
NASA NTRS1982

Magellan Post Launch Mission Operation Report

Magellan was successfully launched by the Space Shuttle Atlantis from the Kennedy Space Center at 2:47 p.m. EDT on May 4, 1989. The Inertial Upper Stage (IUS) booster and attached Magellan Spacecraft were successfully deployed from Atlantis on Rev. 5 as planned, at 06:14 hrs Mission Elapsed Time (MET). The two IUS propulsion burns which began at 07:14 hrs MET and were completed at 07:22 hrs MET, placed the Magellan Spacecraft almost perfectly on its preplanned trajectory to Venus. The IUS was jettisoned at 07:40 hrs MET and Magellan telemetry was immediately acquired by the Deep Space Network (DSN). A spacecraft trajectory correction maneuver was performed on May 21 and the spacecraft is in the planned standard cruise configuration with all systems operating nominally. An initial attempt was made to launch Atlantis on April 28, 1989, but the launch was scrubbed at T-31 sec due to a failure of the liquid hydrogen recirculation pump on Space Shuttle Main Engine #1. The countdown had proceeded smoothly until T-20 min when the Magellan radio receiver "locked-on" the MIL 71 Unified S-Band (USB) transmission as the transmitter power was increased fro 2 kw to 10 kw in support of the orbiter launch. During the planned hold at T-9 min, the USB was confirmed as the source of the receiver "lock" and Magellan's launch readiness was reaffirmed. In addition a five-minute extension of the T-9 hold occurred when a range safety computer went off-line, creating a loss of redundancy in the range safety computer network. Following resumption of the countdown, both the orbiter and Magellan flows proceeded smoothly until the launch was scrubbed at T-31 sec.

Source record↗
NASA NTRS1999

The Development of a Dynamic Geomagnetic Cutoff Rigidity Model for the International Space Station

We have developed a computer model of geomagnetic vertical cutoffs applicable to the orbit of the International Space Station. This model accounts for the change in geomagnetic cutoff rigidity as a function of geomagnetic activity level. This model was delivered to NASA Johnson Space Center in July 1999 and tested on the Space Radiation Analysis Group DEC-Alpha computer system to ensure that it will properly interface with other software currently used at NASA JSC. The software was designed for ease of being upgraded as other improved models of geomagnetic cutoff as a function of magnetic activity are developed.

Smart, D. F.↗