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At least 739 records · Page 41

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NASA NTRS1980

A new semiclassical decoupling scheme for electronic transitions in molecular collisions - Application to vibrational-to-electronic energy transfer

A new semiclassical decoupling scheme (the trajectory-based decoupling scheme) is introduced in a computational study of vibrational-to-electronic energy transfer for a simple model system that simulates collinear atom-diatom collisions. The probability of energy transfer (P) is calculated quasiclassically using the new scheme as well as quantum mechanically as a function of the atomic electronic-energy separation (lambda), with overall good agreement between the two sets of results. Classical mechanics with the new decoupling scheme is found to be capable of predicting resonance behavior whereas an earlier decoupling scheme (the coordinate-based decoupling scheme) failed. Interference effects are not exhibited in P vs lambda results.

Lee, H.-W.↗

NASA NTRS1986

The production and sputtering of S2 by keV ion bombardment

The ion bombardment of S-containing molecules in comets is simulated experimentally. Mass-analyzed 30-keV beams of Ar(+) and He(+) are directed at solid S, H2S, and CS2 targets at temperatures 15 K, and the neutral molecular species produced are ionized and analyzed using a quadrupole mass spectrometer. The dominant species detected are S1 and S2 for the S target, H2S and S2 for the H2S target, and S, CS, S2, and CS2 for the CS2 target. In the latter case, it is found that after about 10 to the 14th He(+) ions/sq cm have struck the target, further sputtering is prevented by formation of a dark brown deposit which is stable at room temperature; the residue forms more slowly when Ar(+) ions are used. These results, indicating relatively efficient S2 production by ion bombardment, are applied to theoretical models of S2 production and/or ejection by solar-wind, solar-flare, or cosmic-ray ions striking comets. It is found that direct solar-wind production of S2 by sputtering is unlikely at realistic bombardment rates, but that H2S-S2 conversion by energetic ions could be significant, with less stringent ice-temperature and irradiation-flux constraints than in the case of S2 production by photons.

Boring, J. W.↗

NASA NTRS1991

Algorithm Computes Hypersonic Flow Of Air

Algorithm simulates three-dimensional hypersonic flow of air or another mixture of gases around blunt body. Accounts for nonequilibrium thermochemical effects via two-temperature mathematical model of molecular excitations and equations for finite-rate chemical reactions. These equations fully coupled to fluid dynamical equations.

Palmer, Grant↗

NASA NTRS1992

Simulation studies for surfaces and materials strength

Investigations were carried out in two major areas during the last reporting period. Energy- and structure-related properties of small gold clusters deposited on the GaAs(110) surface were investigated using a molecular dynamics procedure. Additionally, a comparative study of the many-body potentials of silicon systems was performed.

Halicioglu, Timur↗

NASA NTRS1992

Properties of thermospheric gravity waves on earth, Venus and Mars

A spectral model with spherical harmonics and Fourier components that can simulate atmospheric perturbations in the global geometry of a multiconstituent atmosphere is presented. The boundaries are the planetary surface where the transport velocities vanish and the exobase where molecular heat conduction and viscosity dominate. The time consuming integration of the conservation equations is reduced to computing the transfer function (TF) which describes the dynamic properties of the medium divorced from the complexities in the temporal and horizontal variations of the excitation source. Given the TF, the atmospheric response to a chosen source distribution is then obtained in short order. Theoretical studies are presented to illuminate some properties of gravity waves on earth, Venus and Mars.

Mayr, H. G.↗

NASA NTRS2021

Quantum Computing to Accelerate High Fidelity Computational Materials Modeling

In this CIF we worked to develop quantum algorithms for material science simulations based on new ideas recently proposed on plane wave basis sets. Many body simulations are not generally performed in plane wave basis sets on classical hardware, but with newly proposed quantum algorithms, it is possible this will be a highly efficient basis set to run quantum simulations on quantum hardware. Using state of the art classical simulations we ran small test simulations to estimate the resources that will be needed to run such plane wave algorithms on quantum hardware. We demonstrate our approach for a series of atoms and molecular systems.

Norman Tubman↗

NASA NTRS2012

Modeling the Flow of Rarefied Gases at NASA

At modest temperatures, the thermal energy of atmospheric diatomic gases such as nitrogen is primarily distributed between only translational and rotational energy modes. Furthermore, these energy modes are fully excited such that the specific heat at constant volume is well approximated by the simple expression C(sub v) = 5/2 R. As a result, classical mechanics provides a suitable approximation at such temperatures of the true quantum mechanical behavior of the inter-molecular collisions of such molecules. Using classical mechanics, the transfer of energy between rotational and translation energy modes is studied. The approach of Lordi and Mates is adopted to compute the trajectories and time dependent rotational orientations and energies during the collision of two non-polar diatomic molecules. A Monte-Carlo analysis is performed collecting data from the results of many such simulations in order to estimate the rotational relaxation time. A Graphical Processing Unit (GPU) is employed to improve the performance of the Monte-Carlo analysis. A comparison of the performance of the GPU implementation to an implementation on traditional computer architecture is made. Effects of the assumed inter-molecular potential on the relaxation time are studied. The seminar will also present highlights of computational analyses performed at NASA Johnson Space Center of heat transfer in rarefied gases.

Forrest E. Lumpkin, III↗

NASA NTRS1992

LDEF materials: An overview of the interim findings

The flight and retrieval of the National Aeronautics and Space Administration's Long Duration Exposure Facility (LDEF) provided an opportunity for the study of the low-Earth orbit (LEO) environment and long-duration space environmental effect (SEE) on materials that are unparalleled in the history of the U.S. space program. The 5.8-year flight of LDEF greatly enhanced the potential value of materials data from LDEF to the international SEE community, compared to that of the original 1-year flight plan. The remarkable flight attitude stability of LDEF enables specific analyses of various individual and combined effects of LEO environmental parameters on identical materials of the same space vehicle. NASA recognized the potential by forming the LDEF Space Environmental Effects on Materials Special Investigation Group (MSIG) to address the greatly expanded materials and LEO space environment parameter analysis opportunities available in the LDEF structure, experiment trays, and corollary measurements, so that the combined value of all LDEF materials data to current and future space missions will be assessed and documented. This paper provides an overview of the interim LDEF materials findings of the Principal Investigators and the Materials Special Investigation Group. These revelations are based on observations of LEO environmental effects on materials made in-space during LDEF retrieval and during LDEF tray deintegration at the Kennedy Space Center, and on findings of approximately 1.5 years of laboratory analyses of LDEF materials by the LDEF materials scientists. These findings were extensively reviewed and discussed at the MSIG-sponsored LDEF Materials Workshop '91. The results are presented in a format which categorizes the revelations as 'clear findings' or 'confusing/unexplained findings' and resultant needs for new space materials developments and ground simulation testing/analytical modeling in seven categories: environmental parameters and data bases; LDEF contamination; thermal control coatings and protective treatments; polymers and films; polymer-matrix composites; metals, ceramics, and optical materials; and systems-related materials. General outlines of findings of the other LDEF Special Investigation Groups (Ionizing Radiation, Meteoroid and Debris, and Systems) are also included. The utilization of LDEF materials data for future low-earth orbit missions is also discussed, concentrating on Space Station Freedom. Some directions for continuing studies of LDEF materials are outlined. In general, the LDEF data is remarkable consistent; LDEF will provide a 'benchmark' for materials design data bases for satellites in low-Earth orbit. Some materials were identified to be encouragingly resistant to LEO SEE for 5.8-years; other 'space qualified' materials displayed significant environmental degradation. Molecular contamination was widespread; LDEF offers an unprecedented opportunity to provide a unified perspective of unmanned LEO spacecraft contamination mechanisms. New material development requirements for long-term LEO missions have been identified and current ground simulation testing methods/data for new, durable materials concepts can be validated with LDEF results. LDEF findings are already being integrated into the design of Space Station Freedom.

Stein, Bland A.↗

NASA NTRS2008

Redesigned Human Metabolic Simulator

A design has been formulated for a proposed improved version of an apparatus that simulates atmospheric effects of human respiration by introducing controlled amounts of carbon dioxide, water vapor, and heat into the air. Denoted a human metabolic simulator (HMS), the apparatus is used for testing life-support equipment when human test subjects are not available. The prior version of the HMS, to be replaced, was designed to simulate the respiratory effects of as many as four persons. It exploits the catalytic combustion of methyl acetate, for which the respiratory quotient (the molar ratio of carbon dioxide produced to oxygen consumed) is very close to the human respiratory quotient of about 0.86. The design of the improved HMS provides for simulation of the respiratory effects of as many as eight persons at various levels of activity. The design would also increase safety by eliminating the use of combustion. The improved HMS (see figure) would include a computer that would exert overall control. The computer would calculate the required amounts of oxygen removal, carbon dioxide addition, water addition, and heat addition by use of empirical equations for metabolic profiles of respiration and heat. A blower would circulate air between the HMS and a chamber containing a life-support system to be tested. With the help of feedback from a mass flowmeter, the blower speed would be adjusted to regulate the rate of flow according to the number of persons to be simulated and to a temperature-regulation requirement (the air temperature would indirectly depend on the rate of flow, among other parameters). Oxygen would be removed from the circulating air by means of a commercially available molecular sieve configured as an oxygen concentrator. Oxygen, argon, and trace amounts of nitrogen would pass through a bed in the molecular sieve while carbon dioxide, the majority of nitrogen, and other trace gases would be trapped by the bed and subsequently returned to the chamber. If, as recommended, the oxygen concentrator were of a rotating twelve-bed design, then variations in the product stream could be made very small. Carbon dioxide would be added directly to the circulating air by simple injection from a supply tank. The rate of injection would be maintained at the required rate by use of a mass flowmeter/controller. In the same way, nitrogen would be added to make up for the small amount of nitrogen lost through the oxygen concentrator. Water vapor would be added to the circulating air by heating the corresponding required flow of water to steam in a heat exchanger. More heat, required to complete the simulation of the thermal effect of respiration, would be added through another heat exchanger. Heat would be supplied to both heat exchangers via a hot-oil loop.

Duffield, Bruce↗

NASA NTRS1985

Rocket nozzle lip flow by direct simulation Monte Carlo method

The flow in the immediate vicinity of a rocket nozzle lip has been analyzed, and the results are presented. A rapid change in gas composition is observed in the flow around the lip depending principally on species molecular mass and local flow angle. The divergence of axial and radial temperatures indicating breakdown of translational equilibrium is observed in the results.

Hueser, J. E.↗

NASA NTRS1977

The correction of Landsat data for the effects of haze, sun angle, and background reflectance

A technique has been developed for simulating the effects of haze, sun angle, and background reflectance in Landsat data and correcting for them. The atmospheric model assumes a two-layer atmosphere: a Rayleigh scattering molecular layer and a Mie scattering haze layer next to the earth's surface. Reflection and transmission matrices describe the reflection and transmission properties of the plane parallel scattering layers. The multispectral scanner response is computed for various values of the parameters under evaluation. This yields expressions for Landsat gray-scale levels used for determining the effect of changes in any parameter. The Atmospheric Correction computer program is used to determine the haze level from the data, to compute the reflectance, and to interpolate in order to find the correction coefficients necessary to make the desired correction.

Potter, J. F.↗

NASA NTRS1991

A model for the infrared emission from an OB star cluster environment

A model for the infrared emission from the neighborhood of an OB star cluster is described. The distribution of gas and dust around the stars, properties of the dust, and the cluster and interstellar radiation fields are variable. The model can be applied to regions around clusters embedded to various degrees in their parental molecular clouds (i.e., compact H II regions, blister-type H II regions, and the tenuous H II regions ionized by naked O stars). The model is used to simulate IRAS observations of a typical blister H II region. Infrared surface brightness and spectral energy distributions are predicted and the impact of limited spatial resolution is illustrated. The model results are shown to be consistent with observations of the exemplary outer Galaxy OB cluster NGC 7380. It is planned to use the model as a diagnostic tool to probe the physical conditions and dust properties in star-formation regions and, ultimately, in an interpretation of the spectral energy distributions of spiral galaxies.

Leisawitz, D.↗

NASA NTRS1994

Spaceborne Photonics Institute

This report describes in chronological detail the development of the Spaceborne Photonics Institute as a sustained research effort at Hampton University in the area of optical physics. This provided the research expertise to initiate a PhD program in Physics. Research was carried out in the areas of: (1) modelling of spaceborne solid state laser systems; (2) amplified spontaneous emission in solar pumped iodine lasers; (3) closely simulated AM0 CW solar pumped iodine laser and repeatedly short pulsed iodine laser oscillator; (4) a materials spectroscopy and growth program; and (5) laser induced fluorescence and atomic and molecular spectroscopy.

Venable, D. D.↗

NASA NTRS2003

Vacancy Mediated Mechanism of Nitrogen Substitution in Carbon Nanotubes

Nitrogen substitution reaction in a graphene sheet and carbon nanotubes of different diameter are investigated using the generalized tight-binding molecular dynamics method. The formation of a vacancy in curved graphene sheet or a carbon nanotube is found to cause a curvature dependent local reconstruction of the surface. Our simulations and analysis show that vacancy mediated N substitution (rather than N chemisorption) is favored on the surface of nanotubes with diameter larger than 8 nm. This predicted value of the critical minimum diameter for N incorporation is confirmed by experimental results presented.

Srivastava, Deepak↗

NASA NTRS2012

NASA Tech Briefs, June 2012

Topics covered include: iGlobe Interactive Visualization and Analysis of Spatial Data; Broad-Bandwidth FPGA-Based Digital Polyphase Spectrometer; Small Aircraft Data Distribution System; Earth Science Datacasting v2.0; Algorithm for Compressing Time-Series Data; Onboard Science and Applications Algorithm for Hyperspectral Data Reduction; Sampling Technique for Robust Odorant Detection Based on MIT RealNose Data; Security Data Warehouse Application; Integrated Laser Characterization, Data Acquisition, and Command and Control Test System; Radiation-Hard SpaceWire/Gigabit Ethernet-Compatible Transponder; Hardware Implementation of Lossless Adaptive Compression of Data From a Hyperspectral Imager; High-Voltage, Low-Power BNC Feedthrough Terminator; SpaceCube Mini; Dichroic Filter for Separating W-Band and Ka-Band; Active Mirror Predictive and Requirement Verification Software (AMP-ReVS); Navigation/Prop Software Suite; Personal Computer Transport Analysis Program; Pressure Ratio to Thermal Environments; Probabilistic Fatigue Damage Program (FATIG); ASCENT Program; JPL Genesis and Rapid Intensification Processes (GRIP) Portal; Data::Downloader; Fault Tolerance Middleware for a Multi-Core System; DspaceOgreTerrain 3D Terrain Visualization Tool; Trick Simulation Environment 07; Geometric Reasoning for Automated Planning; Water Detection Based on Color Variation; Single-Layer, All-Metal Patch Antenna Element with Wide Bandwidth; Scanning Laser Infrared Molecular Spectrometer (SLIMS); Next-Generation Microshutter Arrays for Large-Format Imaging and Spectroscopy; Detection of Carbon Monoxide Using Polymer-Composite Films with a Porphyrin-Functionalized Polypyrrole; Enhanced-Adhesion Multiwalled Carbon Nanotubes on Titanium Substrates for Stray Light Control; Three-Dimensional Porous Particles Composed of Curved, Two-Dimensional, Nano-Sized Layers for Li-Ion Batteries 23 Ultra-Lightweight; and Ultra-Lightweight Nanocomposite Foams and Sandwich Structures for Space Structure Applications.

Source record↗

NASA NTRS2016

On the Detectability of CO Molecules in the Interstellar Medium via X-Ray Spectroscopy

We present a study of the detectability of CO molecules in the Galactic interstellar medium using high-resolution X-ray spectra obtained with the XMM-Newton Reflection Grating Spectrometer. We analysed 10 bright low mass X-ray binaries (LMXBs) to study the CO contribution in their line of sights. A total of 25 observations were fitted with the ISMabs X-ray absorption model which includes photoabsorption cross-sections for Oi, Oii, Oiii and CO. We performed a Monte Carlo (MC) simulation analysis of the goodness of fit in order to estimate the significance of the CO detection. We determine that the statistical analysis prevents a significant detection of CO molecular X-ray absorption features, except for the lines of sight towards XTE J1718-330 and 4U 1636-53. In the case of XTE J1817-330, this is the first report of the presence of CO along its line of sight. Our results reinforce the conclusion that molecules have a minor contribution to the absorption features in the O K-edge spectral region. We estimate a CO column density lower limit to perform a significant detection with XMM-Newton of N(CO) greater than 6 x 10(exp 16) per sq cm for typical exposure times.

ISM: structure↗

NASA NTRSDate not supplied

The ZBOT-NC Experiment - Effects of Non-Condensable Gases on Propellant Tank Pressurization and Pressure Control

Introduction Integral to all phases of NASA’s projected planetary expeditions is affordable and reliable cryogenic fluid storage for use in propellant or life support systems. It is greatly advantageous to develop innovative vent-less pressure control designs based on cooling/mixing of the bulk tank fluid to allow storage of the cryogenic fluid with zero or reduced boil-off. The presence of noncondensable gases, can interfere with the condensation at the interface impacting tank pressure control during subcooled jet mixing especially in microgravity. The Zero-Boil-Off Tank (ZBOT) Experiments are a series of small-scale experiments aboard the International Space Station (ISS) that use a transparent volatile simulant fluid in a transparent sealed tank to delineate various fundamental fluid flow, heat and mass transport, and phase change phenomena associated with storage tank pressurization and pressure control in microgravity. The ZBOT-1 experiment was performed on the ISS 2017-2018 timeframe and collected data to validate a state-of-the-art CFD model for tank pressurization and pressure control for a pure system. The ZBOT-NC Experiment is the second experiment in the series to be performed on the International Space Station (ISS) in 2025. Its goal is to investigate the effects of noncondensable gases on interfacial evaporation and condensation during self -pressurization and jet-mixing pressure control in microgravity for a two-component system. Materials & Methods In this work, we will describe the detailed features of the ZBOT-NC experimental hardware and Diagnostics that includes nonintrusive Quantum Dot Thermometry (QDT) for whole field temperature measurement. All microgravity pressurization and pressure control tests will be performed for both the pure and the two-components systems with Xenon and Neon as the two noncondensable gases spanning small and large molecular weights and sizes. The two-phase CFD model that is developed as part of the project will be also presented and discussed. Results Ground-based pressurization and jet mixing experiments and CFD simulation results are compared to each other to validate both the fidelity of the CFD model predictions and the accuracy of the QDT measurement. Model simulations for noncondensable gas effects will also be compared against large Cryogenic LH2-GHe experiments to indicate the noncondensable gas effects on tank pressure control during jet mixing in 1G. Finally, CFD results will be presented to predict the effects of the noncondensable gas during subcooled jet mixing during the ZBOT-NC in advance of the microgravity experiment in 2015.

Evaporation Condensation↗

NASA NTRSDate not supplied

The Zero-Boil-Off Tank Experiment: the Effects of Non-Condensable Gases on Pressurization and Pressure Control of Propellant Tanks in Microgravity

Evaporation Condensation↗