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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Theoretical characterization of the reaction NH2+NO - products

The potential energy surface (PES) for NH2+NO is characterized using complete active space self-consistent-field (CASSCF)/derivative methods to locate the stationary points, followed by internally contracted configuration interaction (ICCI) calculations to determine the energetics. Production of N2+H2O is found to involve a complex mechanism, which, however, has no barrier with respect to NH2+NO. This pathway is exothermic by 124.5 kcal/mol. Production of NH2+OH can occur with no barrier other than the exothermicity from any of three isomers of HNNOH.

Walch, Stephen P.↗
NASA NTRS1995

Applications of Multi Port Amplifier to personal satellite communications

In personal satellite communications, satellite antenna beam becomes narrow, and number of beams will be thirty to more than one hundred. This paper shows that Multi Port Amplifier is most suitable to multiple beam transmitter for personal communications satellite. It was shown that the single beam coverage area(cell) diameter is determined by personal earth station(PES) eirp, uplink C/No and uplink frequency band. Required number of cells for European or North American regional coverage at FPLMTS uplink frequency band is shown as around 32. It was shown that 32 beams systems will be easily implemented by using 2 set of 16-port MPA. Redundancy to SSPA failure is considered by increasing number of SSPAs. Actual configuration for 16-port MPA are briefly shown. The presented configuration will be easy to implement and the most economical solution.

Egami, Shunichiro↗
NASA NTRS1996

Atomic Oxygen and Space Environment Effects on Aerospace Materials Flown with EOIM-3 Experiment

Polymer materials samples mounted on a passive carrier tray were flown aboard the STS-46 Atlantis shuttle as complement to the EOIM-3 (Evaluation of Oxygen Interaction with Materials) experiment to evaluate the effects of atomic oxygen on the materials and to measure the gaseous shuttle bay environment. The morphological changes of the samples produced by the atomic oxygen fluence of 2.07 x 10(exp 20) atoms/cm(exp 2) are being reported. The changes have been verified using Electron Spectroscopy for Chemical Analysis (ESCA), gravimetric measurement, microscopic observations and thermo-optical measurements. The samples, including Kapton, Delrin, epoxies, Beta Cloth, Chemglaze Z306, silver Teflon, silicone coatings, 3M tape and Uralane and Ultem, PEEK, Victrex (PES), Polyethersulfone and Polymethylpentene thermoplastic, have been characterized by their oxygen reaction efficiency on the basis of their erosion losses and the oxygen fluence. Those efficiencies have been compared to results from other experiments, when available. The efficiencies of the samples are all in the range of E-24 g/atom. The results indicate that the reaction efficiencies of the reported materials can be grouped in about three ranges of values. The least affected materials which have efficiencies varying from 1 to 10(exp 25) g/atom, include silicones, epoxies, Uralane and Teflon. A second group with efficiency from 10 to 45(exp 25) g/atom includes additional silicone coatings, the Chemglaze Z306 paint and Kapton. The third range from 50 to 75(exp 25) includes organic compound such as Pentene, Peek, Ultem, Sulfone and a 3M tape. A Delrin sample had the highest reaction efficiency of 179(exp 25) g/atom. Two samples, the aluminum Beta cloth X389-7 and the epoxy fiberglass G-11 nonflame retardant, showed a slight mass increase.

Scialdone, John J.↗
NASA NTRS1997

Research, planning, design and development of selected components, subsystems and systems for the Students for the Exploration and Development of Space Satellite (SEDSAT)

The work proposed in this task order was successfully accomplished. This is reflected in the approval by three NASA centers of the SEDSAT satellite to fly as a payload on the shuttle. All documentation necessary for evaluation of the satellite as a Shuttle payload was submitted and approved by the appropriate safety boards. The SEASIS instrument was demonstrated to work and its inclusion as a SEDSAT payload was accomplished in the task period. Finally, the SEDSAT interface to the NASA GSFC PES was approved by MSFC and GSFC with no substantive issues outstanding. As of the end of the contract date all milestones were met. However the NASA MSFC SEDS program was cancelled by the center. Since that time SEDSAT has gone on to be manifested on a Delta vehicle.

Wingo, Dennis↗
NASA NTRS1996

Research and Development of Satellites, Small Expendable Deployer System (SEDS)

The work proposed in this task order was successfully accomplished. This is reflected in the approval by three NASA centers of the Students for the Exploration and Development of Space Satellite (SEDSAT) to fly as a payload on the shuttle. All documentation necessary for evaluation of the satellite as a Shuttle payload was submitted and approved by the appropriate safety boards. The Small Expendable Deployer System - SEDS - Earth Atmosphere and Space Imaging System (SEASIS) instrument was demonstrated to work and its inclusion as a SEDSAT payload was accomplished in the task period. Finally, the SEDSAT interface to the NASA GSFC PES was approved by MSFC and GSFC with no substantive issues outstanding. As of the end of the contract date all milestones were met. However the NASA MSFC SEDS program was canceled by the center. Since that time SEDSAT has gone on to be manifested on a Delta vehicle.

Wingo, Dennis Ray↗
NASA NTRS1998

I/O Parallelization for the Goddard Earth Observing System Data Assimilation System (GEOS DAS)

The National Aeronautics and Space Administration (NASA) Data Assimilation Office (DAO) at the Goddard Space Flight Center (GSFC) has developed the GEOS DAS, a data assimilation system that provides production support for NASA missions and will support NASA's Earth Observing System (EOS) in the coming years. The GEOS DAS will be used to provide background fields of meteorological quantities to EOS satellite instrument teams for use in their data algorithms as well as providing assimilated data sets for climate studies on decadal time scales. The DAO has been involved in prototyping parallel implementations of the GEOS DAS for a number of years and is now embarking on an effort to convert the production version from shared-memory parallelism to distributed-memory parallelism using the portable Message-Passing Interface (MPI). The GEOS DAS consists of two main components, an atmospheric General Circulation Model (GCM) and a Physical-space Statistical Analysis System (PSAS). The GCM operates on data that are stored on a regular grid while PSAS works with observational data that are scattered irregularly throughout the atmosphere. As a result, the two components have different data decompositions. The GCM is decomposed horizontally as a checkerboard with all vertical levels of each box existing on the same processing element(PE). The dynamical core of the GCM can also operate on a rotated grid, which requires communication-intensive grid transformations during GCM integration. PSAS groups observations on PEs in a more irregular and dynamic fashion.

Lucchesi, Rob↗
NASA NTRS1993

Double Cantilever Beam and End Notched Flexure Fracture Toughness Testing of Two Composite Materials

Two different unidirectional composite materials were provided by NASA Langley Research Center and tested by the Composite Materials Research Group within the Department of Mechanical Engineering at the University of Wyoming. Double cantilever beam and end notched flexure tests were performed to measure the mode I (crack opening) and mode II (sliding or shear) interlaminar fracture toughness of the two materials. The two composites consisted of IM7 carbon fiber combined with either RP46 resin toughened with special formulation of LaRC IA resin, known as JJS1356; or PES chain extended thermoplastic resin known as JJS1361. Double Cantilever Beam Specimen Configuration and Test Methods As received from NASA, the test specimens were nominally 0.5 inch wide, 6 inches long, and 0.2 inch thick. A 1 inch long Kapton insert at the midplane of one end of the specimen (placed during laminate fabrication) facilitated crack initiation and extension. It was noted that the specimens provided were smaller than the nominal 1.5 inch wide, 9.0 inch long configuration specified. Similarly, the Kapton inserts were of greater length than those in the present specimens. Hence, the data below should not be compared directly to those generated with the referenced methods. No preconditioning was performed on the specimens prior to testing. In general, the methodology was used for the present work. Crack opening loads were introduced to the specimens via piano hinges attached to the main specimen faces at a single end of each specimen. Hinges were bolted to the specimens using the technique presented. The cracks were extended a small distance from the end of the Kapton insert prior to testing. Just before precracking, the sides of the specimens were coated with water-soluble typewriter correction fluid to aid in crack visualization. Scribe marks were then made in the coating at half-inch intervals.

Kessler, Jeff A.↗
NASA NTRS1997

AB Initio Study of the Structure and Spectroscopic Properties of Halogenated Thioperoxy Radicals

Thioperoxy (XSO or XOS) radicals exist in a variety of chemical environments, and they have as a consequence drawn some interest. HSO, an important species in the chemistry of the troposphere, has been examined both experimentally. The halogenated (X = F, Cl or Br) peroxy species and isovalent thioperoxy species have been studied less, but they too are potentially interesting because oxidized sulfur species and halogen sources are present in the atmosphere. Learning the fate of XSO and XOS radicals is important to understanding the atmospheric oxidation chemistry of sulfur compounds. Of these, FSO and ClSO are particularly interesting because they have been directly detected spectroscopically. Recent studies in our laboratory on the photochemistry of thionyl halides (X2SO; where X = F or Cl) have suggested new ways to generate XSO species. The laser-induced photodissociation of thionyl fluoride, F2SO, at 193 nm and thionyl chloride, ClSO, at 248 nm is characterized by a radical mechanism, X2SO -> XSO + X. The structure of FSO has been characterized experimentally by Endo et cd. employing microwave spectroscopy. Using the unrestricted Hartree-Fock (UHF) self-consistent field (SCF) method, Sakai and Morokuma computed the electronic structure of the ground (sup 2)A" and the first excited (sup 2)A' states of FSO. Electron correlation was not taken into account in their study. In a laser photodissociation experiment, Huber et al. identified ClSO mass spectromctrically. ClSO has also been detected in low temperature matrices by EPR and in the gas phase by far IR laser magnetic resonance. Although the structure of FSO is known in detail, the only study, experimental or theoretical, of CISO has been an ab initio HFSCF study by Hinchliffe. Electron correlation corrections were also excluded from this study. In order to better understand the isomerization and dissociation dynamics of the radical species, we have performed ab initio correlated studies of the potential energy surfaces (PES) of ClSO and its isomer ClOS at the QCISD(T)/6-31 G* level of theory. For FSO and FOS, more extensive QCISD/6-31 1G(2df) calculations have been possible, and the results are summarized here.

Munoz, Luis A.↗
NASA NTRS1996

Quantum Mechanical Determination of Potential Energy Surfaces for TiO and H2O

We discuss current ab initio methods for determining potential energy surfaces, in relation to the TiO and H2O molecules, both of which make important contributions to the opacity of oxygen-rich stars. For the TiO molecule we discuss the determination of the radiative lifetimes of the excited states and band oscillator strengths for both the triplet and singlet band systems. While the theoretical radiative lifetimes for TiO agree well with recent measurements, the band oscillator strengths differ significantly from those currently employed in opacity calculations. For the H2O molecule we discuss the current results for the potential energy and dipole moment ground state surfaces generated at NASA Ames. We show that it is necessary to account for such effects as core-valence Correlation energy to generate a PES of near spectroscopic accuracy. We also describe how we solve the ro-vibrational problem to obtain the line positions and intensities that are needed for opacity sampling.

Langhoff, Stephen R.↗
NASA NTRS1997

Rotational Energy Transfer of N2 Gas Determined Using a New Ab Initio Potential Energy Surface

Rotational energy transfer between two N2 molecules is a fundamental process of some importance. Exchange is expected to play a role, but its importance is somewhat uncertain. Rotational energy transfer cross sections of N2 also have applications in many other fields including modeling of aerodynamic flows, laser operations, and linewidth analysis in nonintrusive laser diagnostics. A number of N2-N2 rigid rotor potential energy surface (PES) has been reported in the literature.

Huo, Winifred M.↗
NASA NTRS2000

The Composition of Dust in the Interstellar Medium

In this talk I will review our current knowledge of the composition, abundance, and distribution of organic and related compounds in the diffuse and dense interstellar media (ISM) of our galaxy. This knowledge is the result of a combined effort of practitioners of telescopic observation, theory, and laboratory studies. We are increasingly coming to understand that the population of organic materials in space is complex and that it contains molecular species that are of direct interest to the fields not only of astrophysics and astrochemistry, but also astrobiology. In this talk I will concentrate my discussion on the various chemical processes that occur in the ISM, the classes of compounds they produce, and the various @-pes of evidence that we have that some of these materials survive incorporation into newly forming stellar/planetary systems. Finally, I will end with some comments on the possible implications of these materials for the origin of life.

Sandford, Scott A.↗
NASA NTRS2005

ROBUS-2: A Fault-Tolerant Broadcast Communication System

The Reliable Optical Bus (ROBUS) is the core communication system of the Scalable Processor-Independent Design for Enhanced Reliability (SPIDER), a general-purpose fault-tolerant integrated modular architecture currently under development at NASA Langley Research Center. The ROBUS is a time-division multiple access (TDMA) broadcast communication system with medium access control by means of time-indexed communication schedule. ROBUS-2 is a developmental version of the ROBUS providing guaranteed fault-tolerant services to the attached processing elements (PEs), in the presence of a bounded number of faults. These services include message broadcast (Byzantine Agreement), dynamic communication schedule update, clock synchronization, and distributed diagnosis (group membership). The ROBUS also features fault-tolerant startup and restart capabilities. ROBUS-2 is tolerant to internal as well as PE faults, and incorporates a dynamic self-reconfiguration capability driven by the internal diagnostic system. This version of the ROBUS is intended for laboratory experimentation and demonstrations of the capability to reintegrate failed nodes, dynamically update the communication schedule, and tolerate and recover from correlated transient faults.

Torres-Pomales, Wilfredo↗
NASA NTRS2005

Design of the Protocol Processor for the ROBUS-2 Communication System

The ROBUS-2 Protocol Processor (RPP) is a custom-designed hardware component implementing the functionality of the ROBUS-2 fault-tolerant communication system. The Reliable Optical Bus (ROBUS) is the core communication system of the Scalable Processor-Independent Design for Enhanced Reliability (SPIDER), a general-purpose fault tolerant integrated modular architecture currently under development at NASA Langley Research Center. ROBUS is a time-division multiple access (TDMA) broadcast communication system with medium access control by means of time-indexed communication schedule. ROBUS-2 is a developmental version of the ROBUS providing guaranteed fault-tolerant services to the attached processing elements (PEs), in the presence of a bounded number of faults. These services include message broadcast (Byzantine Agreement), dynamic communication schedule update, time reference (clock synchronization), and distributed diagnosis (group membership). ROBUS also features fault-tolerant startup and restart capabilities. ROBUS-2 tolerates internal as well as PE faults, and incorporates a dynamic self-reconfiguration capability driven by the internal diagnostic system. ROBUS consists of RPPs connected to each other by a lower-level physical communication network. The RPP has a pipelined architecture and the design is parameterized in the behavioral and structural domains. The design of the RPP enables the bus to achieve a PE-message throughput that approaches the available bandwidth at the physical layer.

Torres-Pomales, Wilfredo↗
NASA NTRS2016

Ames S-32 O-16 O-18 Line List for High-Resolution Experimental IR Analysis

By comparing to the most recent experimental data and spectra of the SO2 628 ν1/ν3 bands (see Ulenikov et al., JQSRT 168 (2016) 29-39), this study illustrates the reliability and accuracy of the Ames-296K SO2 line list, which is accurate enough to facilitate such high-resolution spectroscopic analysis. The SO2 628 IR line list is computed on a recently improved potential energy surface (PES) refinement, denoted Ames-Pre2, and the published purely ab initio CCSD(T)/aug-cc-pVQZ dipole moment surface. Progress has been made in both energy level convergence and rovibrational quantum number assignments agreeing with laboratory analysis models. The accuracy of the computed 628 energy levels and line list is similar to what has been achieved and reported for SO2 626 and 646, i.e. 0.01-0.03 cm(exp −1) for bands up to 5500 cm(exp −1). During the comparison, we found some discrepancies in addition to overall good agreements. The three-IR-list based feature-by-feature analysis in a 0.25 cm(exp −1) spectral window clearly demonstrates the power of the current Ames line lists with new assignments, correction of some errors, and intensity contributions from varied sources including other isotopologues. We are inclined to attribute part of detected discrepancies to an incomplete experimental analysis and missing intensity in the model. With complete line position, intensity, and rovibrational quantum numbers determined at 296 K, spectroscopic analysis is significantly facilitated especially for a spectral range exhibiting such an unusually high density of lines. The computed 628 rovibrational levels and line list are accurate enough to provide alternatives for the missing bands or suspicious assignments, as well as helpful to identify these isotopologues in various celestial environments. The next step will be to revisit the SO2 828 and 646 spectral analyses.

Sulfur dioxide↗
NASA NTRS2003

Displacement damage characterization of laser diodes

Displacement damage effects from protons and neutrons are compared. Differences in the annealing properties were observed which are due to the different microscopic structure of the damaged regions from the two ty pes of particles.

Miyahira, T. F.↗
NASA NTRS2015

Empirical InfraRed Line Lists for Five SO2 Isotopologues: 32/33/34/36S16O2 and 32S18O2

Using the latest published, empirically refined potential energy surface (PES) Ames-1 and purely ab initio CCSD(T)/aug-cc-pVQZ dipole moment surface (DMS), we have computed Infrared line lists for five symmetric isotopologues of sulfur dioxide: 32S16O2 (626), 33S16O2 (636), 34S16O2 (646), 36S16O2 (666), and 32S18O2 (828). The line lists are based on J=0-80 rovibrational variational calculations with E’ ≤ 8000 cm-1. The 34S16O2 and 33S16O2 line lists are compared to the experiment-based models in the HIgh-resolution TRANsmission molecular absorption database (HITRAN2012, http://www.cfa.harvard.edu/hitran/) and the Cologne Database for Molecular Spectroscopy, CDMS (http://www.astro.uni-koeln.de/cdms/). The accuracy for computed 646 band origins is similar to what has been reported for the main isotopologue, i.e. 0.01 – 0.03 cm-1 for bands up to 5500 cm-1. For rovibrational transitions, the 646 line position and intensity deviation patterns are much simpler and more self-consistent than those of the main isotopologue 626. The discrepancies are mainly found for higher Ka/J transitions. 626 and 646 exhibit comparable line position and intensity agreement for lower Ka/J transitions. The line position deviations for the 636 purely rotational band are parallel to those of 626 and 646, while its line intensity deviations do not show branching patterns as we found in the 626 and 646 cases. Predictions for the other minor isotopologues are expected to exhibit similar accuracy. These line lists are accurate enough to provide alternatives for missing bands of 626 and the minor isotopologues. It may significantly facilitate the laboratory spectroscopic measurement and analysis, as well as to identify these isotopologues in various astrophysical environments.

Sulfur Dioxide↗
NASA NTRS2020

Exploring the Limits of the Data-Model-Theory Synergy: “Hot” MW Transitions for Rovibrational IR Studies

In order to further improve the accuracy of rovibrational IR line lists generated from the “Best Theory +Reliable High-resolution Experiment” (BTRHE) strategy from 0.01-0.05 cm-1, or 300-1500 MHz, to ~10 MHz, we explore the current limits of the Data-Model-Theory synergy by examining the accuracy and consistency of existing data, then propose that “hot” bands in microwave (MW) spectra is the solution we need for future enhancements. The Ames SO2 J=0-20 rovibrational energy levels computed on the semi-empirically refined Ames-2 potential energy surface (PES) are fit to the Effective Hamiltonian (EH) model regularly used in the experimental infrared (IR) analysis for SO2 isotopologues. In the fitted EH(Ames) model, the rotational constants A/B/C and all 5 quartic centrifugal distortion constants display clear, systematic, and consistent patterns along the vibrational state energy or quanta. Such consistent patterns may facilitate the vibrational assignments for MW hot bands and extract more information from high temperature MW spectra. Some EH(Expt) analyses were carried out with the lowest order Coriolis Coupling term, C1. Their constants should not be directly compared with other EH(Expt) and EH(Ames) results. After excluding them, our  = EH(Ames)- EH(Expt) analyses for 5 isotopologues (626, 636, 646, 628 and 828) indicates some loss of accuracy and consistency starting from vibrational states as low as 22 or 1000 cm-1. Some EH parameters, e.g. K, may have relative deviations as large as 50-100% and totally lose any recognizable patterns. This simply means that current EH(Expt) models do not have the system-wide consistency we need to further refine the EH(Ames) and Ames rovibrational IR line lists. A large part of such defects are probably inherited from the limited precision of experimental line positions, i.e. 1E-3 ~ 1E-4 cm-1, or 3-30 MHz. This is confirmed in a series of truncation tests using the Ames data. Although the EH(Ames) consistency may help identify unreliable rovibrational EH(Expt) parameters, and make reliable predictions for minor isotopologues and unobserved vibrational bands, we believe only the highly accurate “hot” MW transitions can provide real enhancements for EH(Expt) accuracy and consistency. “Hot” MW spectra should play a more significant role in the future synergy of Data, Model, and Theory in the field of rovibrational IR studies.

Xinchuan Huang↗
NASA NTRS2022

Recommended Direct Simulation Monte Carlo Collision Model Parameters for Reacting Methane Flows

While hydrocarbon combustion and gas-surface interactions have been simulated for a variety of applications in continuum solvers, such processes have been rarely investigated in Direct Simulation Monte Carlo (DSMC). Thus Variable Hard/Soft Sphere (VHS/VSS)collision parameters are not available for most molecules of interest in the decomposition of methane, a significant pyrolysis gas product and potential atmospheric species for Titan re-entries. As these properties are essential for accurate modeling of gas transport and thermochemical effects, a method must be devised to compute them for use in DSMC. In this study, the methodology outlined in Stephani et al is utilized to compute the VHS/VSS parameters by fitting the Ω(1,1)and Ω(2,2) collision integrals [1]. These collision integrals are typically computed from intermolecular potentials and are used in CFD simulations to calculate transport properties such as viscosity, thermal conductivity, and diffusion. This approach ensures consistency between micro-scale collisions and macro-scale transport properties. To produce the necessary collision integrals needed for the fitting routine, we utilize the method described by Laricchiuta et al, where collision integrals are computed based on the constituent particles’ polarizability and effective electron number [2].Preliminary computations of pure-species Ω(1,1)and Ω(2,2)collision integrals produced from the coupled approach of Stephani et al and Laricchiuta et al for methane show good agreement with those computed via available ab-initio Potential Energy Surface Computations, as seen in Figure 1. Above 300K, no more than 12% deviation is observed between the two results over the temperature range of the fitted PES data [3].Current results of this study include full collision-specificVSS transport properties for a complex-species mixture involving major byproducts of pure methane decomposition. Targeted final results will include a comprehensive list of VSS parameters relevant toDSMC simulations of Titan atmospheric entry, based on the reduced kinetic model of Savajano et al [4].

M R Gosma↗