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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

Moments of inclination error distribution computer program

A FORTRAN coded computer program is described which calculates orbital inclination error statistics using a closed-form solution. This solution uses a data base of trajectory errors from actual flights to predict the orbital inclination error statistics. The Scott flight history data base consists of orbit insertion errors in the trajectory parameters - altitude, velocity, flight path angle, flight azimuth, latitude and longitude. The methods used to generate the error statistics are of general interest since they have other applications. Program theory, user instructions, output definitions, subroutine descriptions and detailed FORTRAN coding information are included.

Myler, T. R.↗
NASA NTRS1985

Reassignment of the Iron (3) Absorption Bands in the Spectra of Mars

Absorption features in the near-infrared and visible region reflectance spectra of Mars have been assigned to specific Fe (3+) crystal-field and o(2-) yields Fe(3+) charge transfer transitions. Recently, near-ultraviolet absorption spectra of iron oxides were obtained and the energies of o(2-) yields Fe(3+) charge-transfer (LMCT) transitions were determined from accurate SCF-X # alpha-SW molecular orbital calculations on (FeO6)(9-) and (FeO4)(5-) clusters. Both the theoretical and experimental results, together with existing data in the literature, show that some of the previous Fe(3+) band assignments in the spectra of Mars need to be revised. The theory of Fe(3+) spectra in minerals is discussed and applied to the spectrum of Mars.

Sherman, D. M.↗
NASA NTRS1988

Theoretical investigation of the role of clay edges in prebiotic peptide bond formation. II - Structures and thermodynamics of the activated complex species

Molecular orbital calculations are used to study amino acid activation by anhydride formation in neutral phosphates and in tetrahedral silicate and aluminate sites on clay edges. The results agree with previous ab initio studies of Luke et al. (1984) on the reactant species. Relative heats of formation of the anhydrides indicate the extent of anhydride formation to be the greatest for Al and the least for phosphate, which is the same order as the stability of hydrolysis.

Collins, Jack R.↗
NASA NTRS1988

Thermochemical stabilities and vibrational spectra of isomers of the chlorine oxide dimer

Molecular orbital calculations were performed to determine the relative thermochemical stabilities and IR vibrational spectra of isomers of the ClO dimer. Two straight-chain isomers (ClOOCl and ClOClO) and one branched species (ClClO2) were identified as energy minima on the Cl2O2 potential surface. It is shown that ClOOCl and ClClO2 are comparable in terms of stability, while ClOClO is about 11 kcal/mol higher in energy. The IR spectra obtained by Molina and Molina (1987) as a result of the reaction of chlorine atoms with ClO precursors are consistent with the production of the two most stable forms of Cl2O2.

Mcgrath, M. P.↗
NASA NTRS1991

Is interstellar detection of higher members of the linear radicals CnCH and CnN feasible?

Rotational constants and dipole moments for linear-chain radicals CnCH and CnN are estimated using a combinatiaon of ab initio molecular orbital calculations and observed data on the starting members of the series. CnCH with n = 0-5 have been observed by radioastronomy in carbon-rich interstellar clouds; higher members of the series have 2Pi ground states with large dipole moments and are strong candidates for observation. CN and C3N have also been observed by radioastronomy; higher members of the series, with the possible exception of C5N, have 2Pi ground states with near-zero dipole moments making their interstellar detection hopeless under present observational conditions. C5N can be a strong candidate only if it has a 2Sigma ground state, and best computations so far indicate that this is not the case.

Pauzat, F.↗
NASA NTRS1992

Nickel Hydrogen Battery Expert System

The Nickel Cadmium Battery Expert System-2, or 'NICBES-2', which was used by the NASA HST six-battery testbed, was subsequently converted into the Nickel Hydrogen Battery Expert System, or 'NICHES'. Accounts are presently given of this conversion process and future uses being contemplated for NICHES. NICHES will calculate orbital summary data at the end of each orbit, and store these files for trend analyses and rules-generation.

Johnson, Yvette B.↗
NASA NTRS1993

The natural thermoluminescence of meteorites. V - Ordinary chondrites at the Allan Hills ice fields

Natural thermoluminescence (TL) data have been obtained for 167 ordinary chondrites from the ice fields in the vicinity of the Allan Hills in Victoria Land, Antarctica, in order to investigate their thermal and radiation history, pairing, terrestrial age, and concentration mechanisms. Natural TL values for meteorites from the Main ice field are fairly low, while the Farwestern field shows a spread with many values 30-80 krad, suggestive of less than 150-ka terrestrial ages. There appear to be trends in TL levels within individual ice fields which are suggestive of directions of ice movement at these sites during the period of meteorite concentration. These directions seem to be confirmed by the orientations of elongation preserved in meteorite pairing groups. The proportion of meteorites with very low natural TL levels at each field is comparable to that observed at the Lewis Cliff site and for modern non-Antarctic falls and is also similar to the fraction of small perihelia orbits calculated from fireball and fall observations. Induced TL data for meteorites from the Allan Hills confirm trends which show that a select group of H chondrites from the Antarctic experienced a different extraterrestrial thermal history to that of non-Antarctic H chondrites.

Benoit, Paul H.↗
NASA NTRS1993

New progress of ranging technology at Wuhan Satellite Laser Ranging Station

A satellite laser ranging system with an accuracy of the level of centimeter has been successfully developed at the Institute of Seismology, State Seismological Bureau with the cooperation of the Institute of Geodesy and Geophysics, Chinese Academy of Science. With significant improvements on the base of the second generation SLR system developed in 1985, ranging accuracy of the new system has been upgraded from 15 cm to 3-4 cm. Measuring range has also been expanded, so that the ETALON satellite with an orbit height of 20,000 km launched by the former U.S.S.R. can now be tracked. Compared with the 2nd generation SLR system, the newly developed system has the following improvements. A Q modulated laser is replaced by a mode-locked YAG laser. The new device has a pulse width of 150 ps and a repetition rate of 1-4 pps. A quick response photomultiplier has been adopted as the receiver for echo; for example, the adoption of the MCP tube has obviously reduced the jitter error of the transit time and has improved the ranging accuracy. The whole system is controlled by an IBM PC/XT Computer to guide automatic tracking and measurement. It can carry out these functions for satellite orbit calculation, real-time tracking and adjusting, data acquisition and the preprocessed of observing data, etc. The automatization level and reliability of the observation have obviously improved.

Xia, Zhiz-Hong↗
NASA NTRS1993

Theoretical reaction pathways for the formation of (Si(OH)5)(1-) and the deprotonation of orthosilicic acid in basic solution

The stability of (Si(OH)5)(1-) is predicted by means of molecular orbital calculations. Si is predicted to be as stable in basic aqueous solutions as hydrated (/OH/3SiO)(1-) and more stable than Si(OH)4 + (OH)(1-). Vibrational analysis of (Si(OH)5)(1-) predicts Raman and IR spectra that are not compatible with the presence of Si in some silicate glasses under ambient temperature compression.

Kubicki, J. D.↗
NASA NTRS1995

Analysis of the Defect Structure of B2 Feal Alloys

The Bozzolo, Ferrante and Smith (BFS) method for alloys is applied to the study of the defect structure of B2 FeAI alloys. First-principles Linear Muffin Tin Orbital calculations are used to determine the input parameters to the BFS method used in this work. The calculations successfully determine the phase field of the B2 structure, as well as the dependence with composition of the lattice parameter. Finally, the method is used to perform 'static' simulations where instead of determining the ground state configuration of the alloy with a certain concentration of vacancies, a large number of candidate ordered structures are studied and compared, in order to determine not only the lowest energy configurations but other possible metastable states as well. The results provide a description of the defect structure consistent with available experimental data. The simplicity of the BFS method also allows for a simple explanation of some of the essential features found in the concentration dependence of the heat of formation, lattice parameter and the defect structure.

Bozzolo, Guillermo↗
NASA NTRS1993

The Natural Thermoluminescence of Meteorites: Ordinary Chondrites at the Allan Hills Ice Fields - Part 5

Natural thermoluminescence (TL) data have been obtained for 167 ordinary chondrites from the ice fields in the vicinity of the Allan Hills in Victoria Land, Antarctica, in order to investigate their thermal and radiation history, pairing, terrestrial age, and concentration mechanisms. Using fairly conservative criteria (including natural and induced TL, find location, and petrographic data), the 167 meteorite fragments are thought to represent a maximum of 129 separate meteorites. Natural TL values for meteorites from the Main ice field are fairly low (typically 5-30 krad, indicative of terrestrial ages of approx. 400 ka), while the Far western field shows a spread with many values 30-80 krad, suggestive of less then 150-ka terrestrial ages. There appear to be trends in TL levels within individual ice fields which are suggestive of directions of ice movement at these sites during the period of meteorite concentration. These directions seem to be confirmed by the orientations of elongation preserved in meteorite pairing groups. The proportion of meteorites with very low natural TL levels (less then 5 krad) at each field is comparable to that observed at the Lewis Cliff site and for modern non-Antarctic falls and is also similar to the fraction of small perihelia (less then 0.85 AU) orbits calculated from fireball and fall observations. Induced TL data for meteorites from the Allan Hills confirm trends observed for meteorites collected during the 1977/1978 and 1978/1979 field seasons which show that a select group of H chondrites from the Antarctic experienced a different extraterrestrial thermal history to that of non-Antarctic H chondrites.

Benoit, Paul H.↗
NASA NTRS1988

A molecular orbital study of a model of the Mg2+ coordination complex of the self splicing reaction of ribosomal RNA

Recent discoveries have established the fact that RNA is capable of acting as an enzyme. In this study two different types of molecular orbital calculations, INDO and ab initio, were used in an attempt to assess the structural/functional role of the Mg2+ hydrated complex in ribozyme reactions. Preliminary studies indicate that the reaction is multistep and that the Mg2+ complex exerts a stabilizing effect on the intermediate or midpoint of the reaction.

Non-NASA Center↗
NASA NTRS1993

Modeling study on the cleavage step of the self-splicing reaction in group I introns

A three-dimensional model of the Tetrahymena thermophila group I intron is used to further explore the catalytic mechanism of the transphosphorylation reaction of the cleavage step. Based on the coordinates of the catalytic core model proposed by Michel and Westhof (Michel, F., Westhof, E. J. Mol. Biol. 216, 585-610 (1990)), we first converted their ligation step model into a model of the cleavage step by the substitution of several bases and the removal of helix P9. Next, an attempt to place a trigonal bipyramidal transition state model in the active site revealed that this modified model for the cleavage step could not accommodate the transition state due to insufficient space. A lowering of P1 helix relative to surrounding helices provided the additional space required. Simultaneously, it provided a better starting geometry to model the molecular contacts proposed by Pyle et al. (Pyle, A. M., Murphy, F. L., Cech, T. R. Nature 358, 123-128. (1992)), based on mutational studies involving the J8/7 segment. Two hydrated Mg2+ complexes were placed in the active site of the ribozyme model, using the crystal structure of the functionally similar Klenow fragment (Beese, L.S., Steitz, T.A. EMBO J. 10, 25-33 (1991)) as a guide. The presence of two metal ions in the active site of the intron differs from previous models, which incorporate one metal ion in the catalytic site to fulfill the postulated roles of Mg2+ in catalysis. The reaction profile is simulated based on a trigonal bipyramidal transition state, and the role of the hydrated Mg2+ complexes in catalysis is further explored using molecular orbital calculations.

NASA Discipline Exobiology↗
NASA NTRS2008

Interfacing Space Communications and Navigation Network Simulation with Distributed System Integration Laboratories (DSIL)

NASA's planned Lunar missions will involve multiple NASA centers where each participating center has a specific role and specialization. In this vision, the Constellation program (CxP)'s Distributed System Integration Laboratories (DSIL) architecture consist of multiple System Integration Labs (SILs), with simulators, emulators, testlabs and control centers interacting with each other over a broadband network to perform test and verification for mission scenarios. To support the end-to-end simulation and emulation effort of NASA' exploration initiatives, different NASA centers are interconnected to participate in distributed simulations. Currently, DSIL has interconnections among the following NASA centers: Johnson Space Center (JSC), Kennedy Space Center (KSC), Marshall Space Flight Center (MSFC) and Jet Propulsion Laboratory (JPL). Through interconnections and interactions among different NASA centers, critical resources and data can be shared, while independent simulations can be performed simultaneously at different NASA locations, to effectively utilize the simulation and emulation capabilities at each center. Furthermore, the development of DSIL can maximally leverage the existing project simulation and testing plans. In this work, we describe the specific role and development activities at JPL for Space Communications and Navigation Network (SCaN) simulator using the Multi-mission Advanced Communications Hybrid Environment for Test and Evaluation (MACHETE) tool to simulate communications effects among mission assets. Using MACHETE, different space network configurations among spacecrafts and ground systems of various parameter sets can be simulated. Data that is necessary for tracking, navigation, and guidance of spacecrafts such as Crew Exploration Vehicle (CEV), Crew Launch Vehicle (CLV), and Lunar Relay Satellite (LRS) and orbit calculation data are disseminated to different NASA centers and updated periodically using the High Level Architecture (HLA). In addition, the performance of DSIL under different traffic loads with different mix of data and priorities are evaluated.

Traffic Measuring and Monitoring↗
NASA NTRS2018

Planetary Spectrum Generator: An Accurate Online Radiative Transfer Suite for Atmospheres, Comets, Small Bodies and Exoplanets

We have developed an online radiative-transfer suite (https://psg.gsfc.nasa.gov) applicable to a broad range of planetary objects (e.g., planets, moons, comets, asteroids, TNOs, KBOs, exoplanets). The Planetary Spectrum Generator (PSG) can synthesize planetary spectra (atmospheres and surfaces) for a broad range of wavelengths (UV/Vis/near-IR/IR/far-IR/THz/sub-mm/Radio) from any observatory (e.g., JWST, ALMA, Keck, SOFIA), any orbiter (e.g., ExoMars, Juno), or any lander (e.g., MSL). This is achieved by combining several state-of-the-art radiative transfer models, spectroscopic databases and planetary databases (i.e., climatological and orbital). PSG has a 3D (three-dimensional) orbital calculator for most bodies in the solar system, and all confirmed exoplanets, while the radiative-transfer models can ingest billions of spectral signatures for hundreds of species from several spectroscopic repositories. It integrates the latest radiative-transfer and scattering methods in order to compute high resolution spectra via line-by-line calculations, and utilizes the efficient correlated-k method at moderate resolutions, while for computing cometary spectra, PSG handles non-LTE and LTE excitation processes. PSG includes a realistic noise calculator that integrates several telescope/instrument configurations (e.g., interferometry, coronagraphs) and detector technologies (e.g., CCD, heterodyne detectors, bolometers). Such an integration of advanced spectroscopic methods into an online tool can greatly serve the planetary community, ultimately enabling the retrieval of planetary parameters from remote sensing data, efficient mission planning strategies, interpretation of current and future planetary data, calibration of spectroscopic data, and development of new instrument/spacecraft concepts.

Villanueva, G. L.↗
NASA NTRS1999

Linear Scaling Density Functional Calculations with Gaussian Orbitals

Recent advances in linear scaling algorithms that circumvent the computational bottlenecks of large-scale electronic structure simulations make it possible to carry out density functional calculations with Gaussian orbitals on molecules containing more than 1000 atoms and 15000 basis functions using current workstations and personal computers. This paper discusses the recent theoretical developments that have led to these advances and demonstrates in a series of benchmark calculations the present capabilities of state-of-the-art computational quantum chemistry programs for the prediction of molecular structure and properties.

Scuseria, Gustavo E.↗
NASA NTRS1985

Calculation of allowable orbital spacings for the fixed-satellite service

Minimum satellite separations are calculated which satisfy a given carrier-to-interference protection ratio for the Fixed-Satellite Service (FSS) on a single-entry basis, assuming circular antenna beams. The results are presented in the form of universal contour curves, in which antenna-centered angles are the coordinates, and also in terms of the more conventional longitude and latitude separations. It is shown that orbit capacity increases with decreasing service-area size and that, for practical service areas, capacity is increased if the longitude of a satellite does not differ too greatly from that of the service area it serves.

Yamamura, Y.↗