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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

The Effect of Approximating Some Molecular Integrals in Coupled-Cluster Calculations: Fundamental Frequencies and Rovibrational Spectroscopic Constants of Cyclopropenylidene

The singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations, denoted CCSD(T), has been used, in conjunction with approximate integral techniques, to compute highly accurate rovibrational spectroscopic constants of cyclopropenylidene, C3H2. The approximate integral technique was proposed in 1994 by Rendell and Lee in order to avoid disk storage and input/output bottlenecks, and today it will also significantly aid in the development of algorithms for distributed memory, massively parallel computer architectures. It is shown in this study that use of approximate integrals does not impact the accuracy of CCSD(T) calculations. In addition, the most accurate spectroscopic data yet for C3H2 is presented based on a CCSD(T)/cc-pVQZ quartic force field that is modified to include the effects of core-valence electron correlation. Cyclopropenylidene is of great astronomical and astrobiological interest because it is the smallest aromatic ringed compound to be positively identified in the interstellar medium, and is thus involved in the prebiotic processing of carbon and hydrogen. The singles and doubles coupled-cluster method that includes a perturbational estimate of

Lee, Timothy J.↗
NASA NTRSDate not supplied

Recent Progress in the International Laser Ranging Service (ILRS)

The International Laser Ranging Service (ILRS) provides Satellite Laser Ranging (SLR) and Lunar Laser Ranging (LLR) observations and data products with a focus on Earth and Lunar science and engineering applications. The basic observables are the precise two-way time-of-flight of ultra-short laser pulses from ground stations to retroreflector arrays on satellites and the Moon and the one-way time-of-flight measurements to space-borne receivers (transponders). SLR is one of the four space geodetic techniques (along with VLBI, GNSS, and DORIS). The International Terrestrial Reference Frame (ITRF) development, maintained by IERS, is based on these geodetic observations. Fundamental data products include accurate satellite ephemerides, Earth orientation parameters, three dimensional coordinates and velocities of the ILRS tracking stations, time-varying geocenter coordinates, static and time-varying coefficients of the Earth’s gravity field, fundamental physical constants, lunar ephemerides and librations, and lunar orientation parameters. The ILRS continues to expand spatial and temporal coverage of SLR observations. New stations with new technologies are being deployed; existing stations are being upgraded. Some of these stations are multi-technique Core Sites. New satellites are expanding applications and strengthening the ILRS contribution to the reference frame. New analysis, modeling, and data processing techniques are improving data products. New campaigns are expanding our applications into relativity and the study of non-gravitational forces. New activities are underway on Lunar Laser Ranging, Time Transfer, and Space Debris Tracking, helping to expand laser ranging applications. This talk will give an update on the current ILRS activities and their impact on ILRS data products.

Report on the ILRS activities↗
NASA NTRS1997

Fundamental Insight on Developing Low Dielectric Constant Polyimides

Thermally stable, durable, insulative polyimides are in great demand for the fabrication of microelectronic devices. In this investigation dielectric and optical properties have been studied for several series of aromatic polyimides. The effect of polarizability, fluorine content, and free volume on dielectric constant was examined. In general, minimizing polarizability, maximizing free volume and fluorination all lowered dielectric constants in the polyimides studied.

Simpson, J. O.↗
NASA NTRS1975

Gravitational clock: A proposed experiment for the measurement of the gravitational constant G

The increased importance and the fundamental significance of accurately measuring the gravitational constant G are discussed along with recent or proposed experimental measurements of G. The method of using mutually gravitating bodies in the clock mode in a drag-free satellite is described. A satellite experiment consisting of the flat-plate spherical mass oscillator proposed combines the mathematical and experimental conveniences most simply. It is estimated that accuracies of 1 part in 1,000,000 are easily obtainable by careful fabrication of parts. The use of cryogenic techniques, thin films, and superconductors allows increased accuracies of two or three orders of magnitude or better. These measurements can be increased to the level of 1 part in 10 to the 11th power at which time-variations, and other variations, in G can be observed.

Smalley, L. L.↗
NASA NTRS1981

Dynamical constants and reference parameters for Mars

Dynamical constants and other fundamental reference parameters for Mars have been derived from analyses of Viking lander ranging and Doppler tracking data covering a time span of nearly four years. Precise values have been obtained for the coordinates of the spin axis and for the rotation rate, suggesting that these Viking-derived values are definitive and are suitable for adoption by the IAU. Preliminary results have been obtained for a small seasonal variation in the rotation rate, and progress has been made toward a direct determination of the precession constant.

Michael, W. H., Jr.↗
DOE OSTI2022

Quantum Machine Learning Applications in High-Energy Physics

Some of the most significant achievements of the modern era of particle physics, such as the discovery of the Higgs boson, have been made possible by the tremendous effort in building and operating large-scale experiments like the Large Hadron Collider or the Tevatron. In these facilities, the ultimate theory to describe matter at the most fundamental level is constantly probed and verified. These experiments often produce large amounts of data that require storing, processing, and analysis techniques that continually push the limits of traditional information processing schemes. Thus, the High-Energy Physics (HEP) field has benefited from advancements in information processing and the development of algorithms and tools for large datasets. More recently, quantum computing applications have been investigated to understand how the community can benefit from the advantages of quantum information science. Nonetheless, to unleash the full potential of quantum computing, there is a need to understand the quantum behavior and, thus, scale up current algorithms beyond what can be simulated in classical processors. In this work, we explore potential applications of quantum machine learning to data analysis tasks in HEP and how to overcome the limitations of algorithms targeted for Noisy Intermediate-Scale Quantum (NISQ) devices.

Delgado, Andrea↗
NASA NTRS1982

An experimental study of small-amplitude drop oscillations in immiscible liquid systems

Measurements of the characteristics of small-amplitude shape oscillations of drops immersed in a host liquid have been carried out by acoustical means. The resonance frequencies of the first few modes have been measured, as well as the damping constant for the fundamental mode, as functions of the drop radius and viscosities of the two liquids. A qualitative photographic study during steady oscillations has revealed a simple internal fluid-particle flow field with no circulation. The theory available at the present time has been found to provide results which are in general agreement with experimental findings for low-viscosity liquids.

Trinh, E.↗
NASA NTRS1986

Artificial or variable gravity attained by tether systems

The simplest orbiting tethered system demands for stability that the mass centers of two end bodies be displaced above and below the position of zero acceleration. Therefore, the contents of the end bodies are subjected necessarily to acceleration fields or artificial gravity whose magnitudes depend on the dimensions and masses of the system. If the length of the tether changes, so do the fields. Even for a fixed tether length, the acceleration field at a location in the system may be somewhat variable unless special means are employed to maintain a constant value. These fundamental properties of a tethered system can be used to advantage if small or variable acceleration fields are desired for experimental or operational reasons. This potential use involves a few expressions from a formulation of tether system dynamics. Some of these formulae were collected for convenient use. Two and three body tethered equilibrium equations are explained. A special application of acceleration field control using a tether system is attainment of near-zero gravity. In this applicaition, even small variations about zero become a critical matter.

Lundquist, C. A.↗
NASA NTRS1985

Continuous prediction of Spartan visibility from Orbiter over modeled free-flight mission

Orbital operations in the neighborhood of other satellites or free-flying objects need the ability to see and detect such objects optically. This ability depends primarily on the brightness of the object relative to other sources present. The present analysis and computational procedure provides a means for predicting the visual brightness of a satellite when viewed from a nearby satellite in the same orbit. It is designed specifically for estimating the brightness of Spartan free-flyers from the STS Orbiters which release and later retrieve them, but the basic methods are applicable to other satellite-to-satellite visibility prediction problems. The Spartan reflector model defined herein is illuminated both by direct solar radiation and by the earth (albedo), producing a model source of defined directional intensity. The intensity in the Orbiter direction (along orbit) yields the desired maximum range directly. The required geometric and photometric calculations involve a number of angles in space, which are readily computed from the basic directions defining their sides. The time-dependent directions are determined by straightforward calculation from fundamental relationships and constants.

King, J. C.↗
NASA NTRS1992

Gravity and topography

The paper summarizes the fundamental gravity field constants for Mars and a brief historical review of early determinations and current-day accurate estimates. These include the planetary gravitational constant, global figure, dynamical oblateness, mean density, and rotational period. Topographic results from data acquired from the 1967 opposition to the most recent, 1988, opposition are presented. Both global and selected local topographic variations and features are discussed. The inertia tensor and the nonhydrostatic component of Mars are examined in detail. The dimensionless moment of inertia about the rotational axis is 0.4 for a body of uniform density and 0.37621 if Mars were in hydrostatic equilibrium. By comparing models of both gravity and topography, inferences are made about the degree and depth of compensation in the interior and stresses in the lithosphere.

Esposito, P. B.↗
NASA NTRS2001

Strategies for Engaging NASA Earth Scientists in K-12 Education and Public Outreach

Engagement of the Earth Science research community in formal education at the kindergarten through high school level and in various aspects of informal education and in professional development of practitioners in related fields has been and continues to be a challenge. A range of approaches is being used and new ones are constantly being tried. Fundamental to our strategies is an understanding of the priorities, skills, academic experiences, motivation, rewards and work experiences of most scientists. It is within this context that efforts to engage a scientist in education efforts are attempted. A key strategy is to limit our requests to activities where the scientist's contribution of time and expertise can have the most impact. Don't waste the scientist's time! Time is one of their most prized resources, it is extremely valuable to you, and to them, we treat their time like a treasured resource. The clearer a scientist's role, their unique contribution and the finite nature of their effort, the more likely they are to participate. It is critical that commitments made to scientists are kept. If they want and can do more, great! Don't expect or assume more will be forthcoming. Another approach that we use is to create periodic venues that, among other things, serve to identify individuals who have an interest or inclination to con , tribute to education efforts. Once identified we strive to determine their interests so that we can make the best match between their interests and the needs of the education program or efforts. In this way, we try to make the best use of their time while engaging them in efforts which will be personally rewarding, and will further the overall education objectives. In addition, we try to make it easier for scientists to participate by providing focused training, such as development of their interviewing skills, and exposure to key concepts, knowledge and skills which are well known among educators but are not common knowledge among scientists. Another strategy with which we are still struggling is how to create and provide career meaningful rewards for individuals who demonstrate excellence in education equivalent to excellence in science. We do not yet have a yardstick to measure excellence in education nor is there a consensus among scientific peers that these two can be equivalent. None-the-less, methods to identify excellence in education, such as the peer review process, are being tried with some success. Use of solicitation and selection of educational efforts via a peer review process that is the same as for scientific research to identify unique, interesting and creative ideas has been somewhat effective. Furthermore, the application of the same peer review process to the output of an educational effort is used to validate and ensure the quality of this output. An example will be used to illustrate the application of some of these strategies to the development of a high school Earth and Space System Science curriculum created in partnership with a local county school system (Anne Arundel County, MD).

Meeson, Blanche W.↗
NASA NTRS1941

The efficiency of combustion turbines with constant-pressure combustion

Of the two fundamental cycles employed in combustion turbines, namely, the explosion (or constant-volume) cycle and the constant-pressure cycle, the latter is considered more in detail and its efficiency is derived with the aid of the cycle diagrams for the several cases with adiabatic and isothermal compression and expansion strokes and with and without utilization of the exhaust heat. Account is also taken of the separate efficiencies of the turbine and compressor and of the pressure losses and heat transfer in the piping. The results show that without the utilization of the exhaust heat the efficiencies for the two cases of adiabatic and isothermal compression is offset by the increase in the heat supplied. It may be seen from the curves that it is necessary to attain separate efficiencies of at least 80 percent in order for useful results to be obtained. There is further shown the considerable effect on the efficiency of pressure losses in piping or heat exchangers.

Piening, Werner↗
NASA NTRS2022

Energy Landscape, and Structural and Spectroscopic Characterization of Diazirine and Its Cyclic Isomers

Identifying new nitrogenated hydrocarbon molecules in the interstellar medium (ISM) is challenging due to the lack of comprehensive spectroscopic data from experiments. In this computational work, we focus on investigating the structures, relative energies, spectroscopic constants, and energy landscape of the cyclic isomers of diazirine (c-CH2N2) using ab initio quantum chemical methods. Density functional theory (DFT) methods and coupled cluster theory with singles and doubles including perturbative triples [CCSD(T)] and CCSD(T) with the explicitly correlated F12 b correction [CCSD(T)-F12b] were employed for this purpose along with large correlation consistent cc-pVTZ, cc-pVQZ, and cc-pV5Z basis sets. Harmonic vibrational frequencies, infrared vibrational intensities, rotational constants, and dipole moments are reported. An harmonic vibrational fundamentals along with centrifugal distortion constants, and vibration-rotation interaction constants are also reported for all the cyclic isomers. The energies computed with the CCSD(T) and CCSD(T)-F12b methods were extrapolated to the one-particle complete basis set (CBS) limit following a three-point formula. At the CCSD(T)-F12b/CBS level of theory the 3,3H-diazirine (c-CH2N2) is the lowest energy cyclic isomer followed by 1,3H-diazirine, (E)-1,2H-Diazirine, and (Z)-1,2H-diazirine which are 20.1, 47.8, and 51.3kcal mol-1above the 3,3H-Diazirine, respectively. Accurate structures and spectroscopic constants that are reported here could be useful for future identification of these cyclic nitrogenated organic molecules in the interstellar medium or circumstellar disks.

Energy Landscape↗
NASA NTRS2013

High-Accuracy Quartic Force Field Calculations for the Spectroscopic Constants and Vibrational Frequencies of 1(exp 1)A' l-C3H(-): A Possible Link to Lines Observed in the Horsehead Nebula PDR

It has been shown that rotational lines observed in the Horsehead nebula photon-dominated-region (PDR) are probably not caused by l-C3H+, as was originally suggested. In the search for viable alternative candidate carriers, quartic force fields are employed here to provide highly accurate rotational constants, as well as fundamental vibrational frequencies, for another candidate carrier: 1 (sup 1)A' C3H(−). The ab initio computed spectroscopic constants provided in this work are, compared to those necessary to define the observed lines, as accurate as the computed spectroscopic constants for many of the known interstellar anions. Additionally, the computed D-eff for C3H(−) is three times closer to the D deduced from the observed Horsehead nebula lines relative to l-C3H(+). As a result, 1 (sup 1)A' C3H(−). is a more viable candidate for these observed rotational transitions and would be the seventh confirmed interstellar anion detected within the past decade and the first C(sub n)H(−) molecular anion with an odd n.

Horsehead nebula↗
NASA NTRS2012

Accurate ab initio Quartic Force Fields of Cyclic and Bent HC2N Isomers

Highly correlated ab initio quartic force field (QFFs) are used to calculate the equilibrium structures and predict the spectroscopic parameters of three HC2N isomers. Specifically, the ground state quasilinear triplet and the lowest cyclic and bent singlet isomers are included in the present study. Extensive treatment of correlation effects were included using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, denoted CCSD(T). Dunning s correlation-consistent basis sets cc-pVXZ, X=3,4,5, were used, and a three-point formula for extrapolation to the one-particle basis set limit was used. Core-correlation and scalar relativistic corrections were also included to yield highly accurate QFFs. The QFFs were used together with second-order perturbation theory (with proper treatment of Fermi resonances) and variational methods to solve the nuclear Schr dinger equation. The quasilinear nature of the triplet isomer is problematic, and it is concluded that a QFF is not adequate to describe properly all of the fundamental vibrational frequencies and spectroscopic constants (though some constants not dependent on the bending motion are well reproduced by perturbation theory). On the other hand, this procedure (a QFF together with either perturbation theory or variational methods) leads to highly accurate fundamental vibrational frequencies and spectroscopic constants for the cyclic and bent singlet isomers of HC2N. All three isomers possess significant dipole moments, 3.05D, 3.06D, and 1.71D, for the quasilinear triplet, the cyclic singlet, and the bent singlet isomers, respectively. It is concluded that the spectroscopic constants determined for the cyclic and bent singlet isomers are the most accurate available, and it is hoped that these will be useful in the interpretation of high-resolution astronomical observations or laboratory experiments.

Inostroza, Natalia↗