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At least 289 records · Page 16

The Calculation of Accurate Harmonic Frequencies of Large Molecules: The Polycyclic Aromatic Hydrocarbons, a Case Study

The vibrational frequencies and infrared intensities of naphthalene neutral and cation are studied at the self-consistent-field (SCF), second-order Moller-Plesset (MP2), and density functional theory (DFT) levels using a variety of one-particle basis sets. Very accurate frequencies can be obtained at the DFT level in conjunction with large basis sets if they are scaled with two factors, one for the C-H stretches and a second for all other modes. We also find remarkably good agreement at the B3LYP/4-31G level using only one scale factor. Unlike the neutral PAHs where all methods do reasonably well for the intensities, only the DFT results are accurate for the PAH cations. The failure of the SCF and MP2 methods is caused by symmetry breaking and an inability to describe charge delocalization. We present several interesting cases of symmetry breaking in this study. An assessment is made as to whether an ensemble of PAH neutrals or cations could account for the unidentified infrared bands observed in many astronomical sources.

Bauschlicher, Charles W., Jr.↗

Sampling Strategy and Curation Plan of "Hayabusa" Asteroid Sample Return Mission

On the 9th May 2003 JST, Japanese spacecraft MUSES-C was successfully launched from Uchinoura. The spacecraft was directly inserted to interplanetary trajectory and renamed as Hayabusa , or "Falcon" to be the world s first sample return spacecraft to a near Earth asteroid (NEA). The NEA (25143)Itokawa (formerly known as "1998SF36") is its mission target. Its orbital and physical characteristics were well observed; the size is (490 +/- 100)x (250 +/- 55)x(180 +/- 50) m with about 12-hour rotation period. It has a red-sloped S(IV)-type spectrum with strong 1- and 2-micron absorption bands, analogous to ordinary LL chondrites with space weathering effect. Assuming its bulk density, the surface gravity level of Itokawa is in the order of 10 micro-G with its escape velocity = approx. 20 cm/s.

Yano, H.↗

Toward Effective Shell Modeling of Wrinkled Thin-Film Membranes Exhibiting Stress Concentrations

Geometrically nonlinear shell finite element analysis has recently been applied to solar-sail membrane problems in order to model the out-of-plane deformations due to structural wrinkling. Whereas certain problems lend themselves to achieving converged nonlinear solutions that compare favorably with experimental observations, solutions to tensioned membranes exhibiting high stress concentrations have been difficult to obtain even with the best nonlinear finite element codes and advanced shell element technology. In this paper, two numerical studies are presented that pave the way to improving the modeling of this class of nonlinear problems. The studies address the issues of mesh refinement and stress-concentration alleviation, and the effects of these modeling strategies on the ability to attain converged nonlinear deformations due to wrinkling. The numerical studies demonstrate that excessive mesh refinement in the regions of stress concentration may be disadvantageous to achieving wrinkled equilibrium states, causing the nonlinear solution to lock in the membrane response mode, while totally discarding the very low-energy bending response that is necessary to cause wrinkling deformation patterns. An element-level, strain-energy density criterion is suggested for facilitating automated, adaptive mesh refinements specifically aimed at the modeling of thin-film membranes undergoing wrinkling deformations.

Tessler, Alexander↗

Small-Scale Gravity Waves in ER-2 MMS/MTP Wind and Temperature Measurements during CRYSTAL-FACE

Lower stratospheric wind and temperature measurements made from NASA's high-altitude ER-2 research aircraft during the CRYSTAL-FACE campaign in July 2002 were analyzed to retrieve information on small scale gravity waves (GWs) at the aircraft's flight level (typically approximately 20 km altitude). For a given flight segment, the S-transform (a Gaussian wavelet transform) was used to search for and identify small horizontal scale GW events, and to estimate their apparent horizontal wavelengths. The horizontal propagation directions of the events were determined using the Stokes parameter method combined with the cross S-transform analysis. The vertical temperature gradient was used to determine the vertical wavelengths of the events. GW momentum fluxes were calculated from the cross S-transform. Other wave parameters such as intrinsic frequencies were calculated using the GW dispersion relation. More than 100GW events were identified. They were generally high frequency waves with vertical wavelength of approximately 5 km and horizontal wavelength generally shorter than 20 km. Their intrinsic propagation directions were predominantly toward the east, whereas their ground-based propagation directions were primarily toward the west. Among the events, approximately 20% of them had very short horizontal wavelength, very high intrinsic frequency, and relatively small momentum fluxes, and thus they were likely trapped in the lower stratosphere. Using the estimated GW parameters and the background winds and stabilities from the NCAR/NCEP reanalysis data, we were able to trace the sources of the events using a simple reverse ray-tracing. More than 70% of the events were traced back to convective sources in the troposphere, and the sources were generally located upstream of the locations of the events observed at the aircraft level. Finally, a probability density function of the reversible cooling rate due to GWs was obtained in this study, which may be useful for cirrus cloud models.

Wang, L.↗

Computer Code for Nanostructure Simulation

Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.

Filikhin, Igor↗

Generation of Requirements for Simulant Measurements

This TM presents a formal, logical explanation of the parameters selected for the figure of merit (FoM) algorithm. The FoM algorithm is used to evaluate lunar regolith simulant. The objectives, requirements, assumptions, and analysis behind the parameters are provided. A requirement is derived to verify and validate simulant performance versus lunar regolith from NASA s objectives for lunar simulants. This requirement leads to a specification that comparative measurements be taken the same way on the regolith and the simulant. In turn, this leads to a set of nine criteria with which to evaluate comparative measurements. Many of the potential measurements of interest are not defensible under these criteria. For example, many geotechnical properties of interest were not explicitly measured during Apollo and they can only be measured in situ on the Moon. A 2005 workshop identified 32 properties of major interest to users. Virtually all of the properties are tightly constrained, though not predictable, if just four parameters are controlled. Three parameters (composition, size, and shape) are recognized as being definable at the particle level. The fourth parameter (density) is a bulk property. In recent work, a fifth parameter (spectroscopy) has been identified, which will need to be added to future releases of the FoM.

Rickman, D. L.↗

Using CTX Image Features to Predict HiRISE-Equivalent Rock Density

Methods have been developed to quantitatively assess rock hazards at candidate landing sites with the aid of images from the HiRISE camera onboard NASA s Mars Reconnaissance Orbiter. HiRISE is able to resolve rocks as small as 1-m in diameter. Some sites of interest do not have adequate coverage with the highest resolution sensors and there is a need to infer relevant information (like site safety or underlying geomorphology). The proposed approach would make it possible to obtain rock density estimates at a level close to or equal to those obtained from high-resolution sensors where individual rocks are discernable.

Serrano, Navid↗

Time domain simulation of the response of geometrically nonlinear panels subjected to random loading

The response of composite panels subjected to random pressure loads large enough to cause geometrically nonlinear responses is studied. A time domain simulation is employed to solve the equations of motion. An adaptive time stepping algorithm is employed to minimize intermittent transients. A modified algorithm for the prediction of response spectral density is presented which predicts smooth spectral peaks for discrete time histories. Results are presented for a number of input pressure levels and damping coefficients. Response distributions are calculated and compared with the analytical solution of the Fokker-Planck equations. RMS response is reported as a function of input pressure level and damping coefficient. Spectral densities are calculated for a number of examples.

Moyer, E. Thomas, Jr.↗

Variable energy, high flux, ground-state atomic oxygen source

A variable energy, high flux atomic oxygen source is described which is comprised of a means for producing a high density beam of molecules which will emit O(-) ions when bombarded with electrons; a means of producing a high current stream of electrons at a low energy level passing through the high density beam of molecules to produce a combined stream of electrons and O(-) ions; means for accelerating the combined stream to a desired energy level; means for producing an intense magnetic field to confine the electrons and O(-) ions; means for directing a multiple pass laser beam through the combined stream to strip off the excess electrons from a plurality of the O(-) ions to produce ground-state O atoms within the combined stream; electrostatic deflection means for deflecting the path of the O(-) ions and the electrons in the combined stream; and, means for stopping the O(-) ions and the electrons and for allowing only the ground-state O atoms to continue as the source of the atoms of interest. The method and apparatus are also adaptable for producing other ground-state atoms and/or molecules.

Chutjian, Ara↗

Estimating Small-Body Gravity Field from Shape Model and Navigation Data

This paper presents a method to model the external gravity field and to estimate the internal density variation of a small-body. We first discuss the modeling problem, where we assume the polyhedral shape and internal density distribution are given, and model the body interior using finite elements definitions, such as cubes and spheres. The gravitational attractions computed from these approaches are compared with the true uniform-density polyhedral attraction and the level of accuracies are presented. We then discuss the inverse problem where we assume the body shape, radiometric measurements, and a priori density constraints are given, and estimate the internal density variation by estimating the density of each finite element. The result shows that the accuracy of the estimated density variation can be significantly improved depending on the orbit altitude, finite-element resolution, and measurement accuracy.

Covariance Analysis↗

Silicon surface barrier detectors used for liquid hydrogen density measurement

Multichannel system employing a radioisotope radiation source, strontium-90, radiation detector, and a silicon surface barrier detector, measures the local density of liquid hydrogen at various levels in a storage tank. The instrument contains electronic equipment for collecting the density information, and a data handling system for processing this information.

James, D. T.↗

Continuous liquid level measurements with time domain reflectometry

A time domain reflectometer is considered as a closed loop, one-dimensional radar system. Applying the principle of time domain reflectometry to the detection of cryogenic liquid levels, measurements on the order of + or - 0. 3% of total liquid level probe length are possible. The time domain reflectometer liquid level measurement is independent of liquid density variations and is simple to calibrate and operate. Construction of the liquid level sensing probe is described.

Cruz, J. E.↗

Does crater 'saturation equilibrium' occur in the solar system?

The similarity in crater densities on the most heavily cratered surfaces throughout the solar system is statistically examined and discussed in terms of a 'saturation equilibrium' being achieved by cratering processes. This hypothesis accounts for (1) the similarity in maximum relative crater density, below certain theoretically predicted values, on all heavily cratered surfaces; (2) a levelling off at this same relative density among 100-m scale craters in populations on lunar maria and other sparsely cratered lunar surfaces; and (3) the approximate uniformity of maximum relative densities on Saturn satellites. The lunar frontside upland crater population, sometimes described as a well-preserved production function useful for interpreting other planetary surfaces, is found not to be a production function. It was modified by intercrater plains at least partly formed by early upland basaltic lava flooding.

Hartmann, W. K.↗

Turbulence in Supercritical O2/H2 and C7H16/N2 Mixing Layers

This report presents a study of numerical simulations of mixing layers developing between opposing flows of paired fluids under supercritical conditions, the purpose of the study being to elucidate chemical-species-specific aspects of turbulence. The simulations were performed for two different fluid pairs O2/H2 and C7H16/N2 at similar reduced initial pressures (reduced pressure is defined as pressure divided by critical pressure). Thermodynamically, O2/H2 behaves more nearly like an ideal mixture and has greater solubility, relative to C7H16/N2, which departs strongly from ideality. Because of a specified smaller initial density stratification, the C7H16/N2 layers exhibited greater levels of growth, global molecular mixing, and turbulence. However, smaller density gradients at the transitional state for the O2/H2 system were interpreted as indicating that locally, this system exhibits enhanced mixing as a consequence of its greater solubility and closer approach to ideality. These thermodynamic features were shown to affect entropy dissipation, which was found to be larger for O2/H2 and concentrated in high-density-gradient-magnitude regions that are distortions of the initial density-stratification boundary. In C7H16/N2, the regions of largest dissipation were found to lie in high-density-gradient-magnitude regions that result from mixing of the two fluids.

Bellan, Josette↗

Atmospheric Models for Aerocapture Systems Studies

Aerocapture uses atmospheric drag to decelerate into captured orbit from interplanetary transfer orbit. This includes capture into Earth orbit from, for example, Lunar-return or Mars-return orbit. Eight Solar System destinations have sufficient atmosphere for aerocapture to be applicable - three of the rocky planets (Venus, Earth, and Mars), four gas giants (Jupiter, Saturn, Uranus, and Neptune), and Saturn's moon Titan. These destinations fall into two groups: (1) The rocky planets, which have warm surface temperatures (approx. 200 to 750 K) and rapid decrease of density with altitude, and (2) the gas giants and Titan, which have cold temperatures (approx. 70 to 170 K) at the surface or 1-bar pressure level, and slow rate of decrease of density with altitude. The height variation of average density with altitude above 1-bar pressure level for the gas giant planets is shown. The periapsis density required for aerocapture of spacecraft having typical values of ballistic coefficient (a measure of mass per unit cross-sectional area) is also shown. The aerocapture altitudes at the gas giants would typically range from approx. 150 to 300 km. Density profiles are compared for the rocky planets with those for Titan and Neptune. Aerocapture at the rocky planets would occur at heights of approx. 50 to 100 km. For comparison, typical density and altitudes for aerobraking operations (circularizing a highly elliptical capture orbit, using multiple atmospheric passes) are also indicated.

Justus, C. G.↗

Evidence for Oscillating Two-Stream Instability and Spatial Collapse of Langmuir Waves in a Solar Type II Radio Burst

We present the high time resolution in situ observations of Langmuir waves, likely excited by an electron beam accelerated by a coronal-mass ejection-driven super-critical quasi-perpendicular interplanetary shock into its upstream solar wind, which happens to be the source region of a solar type II radio burst. We show that (1) these waves occur as coherent localized magnetic-field-aligned, one-dimensional wave packets with durations of a few milliseconds and with peak intensities well in excess of the threshold for strong turbulence processes, (2) they provide what is believed to be the first evidence for: (a) the oscillating two-stream instability (OTSI) L(sub 1) + L(sub 2) S/⟶ U + D, where L(sub 1) and L(sub 2), U and D, and S are the pump Langmuir waves, up- and down-shifted side bands, and ion sound waves, respectively, (b) a three-wave interaction U + D ⟶ T(sub 2f(sub pe)), where T(sub 2f(sub pe)) is the second harmonic electromagnetic wave, (3) they satisfy the threshold condition for formation of collapsing solitons, and (4) they are accompanied by their ponderomotive force induced density cavities with δn(sub p)/n(sub e) > δn(sub b)/n(sub e), where δn(sub p)/n(sub e) is the level of ponderomotive force induced density fluctuations and δn(sub b)/n(sub e) is that of the ambient fluctuations. These findings strongly suggest that the observed wave packets provide evidence for the collapsing solitons formed as a result of OTSI. The implication is that the strong turbulence processes probably play very important roles in excitation of type II radio emissions as well as in stabilization of shock-accelerated electron beams.

Sun radio radiation↗

H2 in expanding circumstellar shells

Hydrogen molecules are formed in the thin dense shell of interstellar gas swept up by the expanding interstellar bubble around an early-type star with a strong stellar wind. The formation of molecules on grains is not in equilibrium with photodestruction. Theoretical calculations of the column densities of H2 in rotational levels j = 0-6 agree reasonably well with Copernicus ultraviolet observations of some early-type stars. The model explains why no H2 features with column densities in the range from 10 to the 15th to 10 to the 18th power per sq cm have been observed.

Hollenbach, D.↗

Coaxial Injectors for Liquid Oxygen/Methane (LOX/CH4) Technology Development

Since late 2005, NASA s Marshall Space Flight Center (MSFC) has been developing and demonstrating technology for liquid oxygen and methane (LOX/CH4) engine designs. Efforts were undertaken to help advance technology that might benefit NASA s Exploration Technology Development Program. The propellant combination has gained interest as a potential option for the ascent stage main propulsion system on the Altair lunar lander vehicle. The propellants are also attractive for eventual Mars missions in future development activities. MSFC s efforts focus on evaluating the performance potential of both liquid and gaseous methane for specific injector designs. Previous JANNAF papers reported the performance observed for LOX and methane with an impinging injector. More recent efforts have focused on testing coaxial injector designs. Hot-fire testing performed at MSFC with thrust levels close to 5000 lbf demonstrated high performance with coaxial injectors of different element densities and various fuel film cooling levels. Test data provided results on performance, chamber wall compatibility, and heat flux profiles for different injectors. A variety of igniters were also demonstrated, including a torch igniter and a microwave (or plasma) igniter.

Elam, Sandra↗