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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

A computer simulation of thin film nucleation and growth: The Volmer-Weber case

The computer simulation of thin film nucleation and growth, which was previously performed for the case of single monolayer, was modified to include multilayer growth via the Volmer-Weber mechanism. The simulation results show that: (1) the kinetics of multilayer film growth is nearly identical to that of monolayer growth; (2) when no reevaporation takes place, the cluster density resulting from multilayer growth is higher at high coverage than that resulting from monolayer growth; (3) when reevaporation does take place, the cluster density resulting from multilayer growth is nearly identical to that resulting from monolayer growth. This is not due, however, to similarity in microstructure.

Salik, J.↗
NASA NTRS1990

Confinement of radio galaxies in rich clusters

X-ray observations obtained with the Einstein Observatory are presented for the Abell clusters A 98, A 160, A 278, and A 569, which are characterized by the presence of an extended radio source associated with the brightest cluster galaxy. The X-ray brightness profiles are fitted with a hydrostatic-thermal model to determine the physical parameters of the X-ray emitting gas and the behavior of the thermal pressure in each cluster. The gas thermal pressure is then compared with the nonthermal pressure within the radio sources, and the conditions for pressure balance are analyzed. The radio source components show a minimum pressure lower than the pressure of the ambient gas. Balance between internal and external pressure is obtained in the case that the usual assumptions for the computation of the energy density in the radio source components are not valid (Phi less than 1, k greater than 1) or that physical conditions are out of equipartition.

Feretti, L.↗
NASA NTRS1992

Non-LTE, line-blanketed model atmospheres for late O- and early B-type stars

The use of non-LTE line-blanketed model atmospheres to analyze the spectra of hot stars is reported. The stars analyzed are members of clusters and associations, have spectral types in the range O9-B2 and luminosity classes in the range III-IV, have slow to moderate rotation, and are photometrically constant. Sampled line opacities of iron-group elements were incorporated in the radiative transfer solution; solar abundances were assumed. Good to excellent agreement is obtained between the computed profiles and essentially all the line profiles used to fix the model, and reliable stellar parameters are derived. The synthetic M II 5581 equivalent widths agree well with the observed ones at the low end of the temperature range studied, but, above 25,000 K, the synthetic line is generally stronger than the observed line. The behavior of the observed equivalent widths of N II, N III, C II and C III lines as a function of Teff is studied. Most of the lines show much scatter, with no consistent trend that could indicate abundance differences from star to star.

Grigsby, James A.↗
NASA NTRS1994

Simulation studies for surfaces and materials strength

Computer simulation studies were conducted to investigate materials properties. All the calculations were carried out using atomic level simulation techniques which are based on semiempirical or model functions. During this project, functions with varying degrees of complexity were derived and employed in simulations. Investigations include covalently bonded materials as well as systems involving metal atoms. For small clusters calculated results provided information on various energy- and structure-related properties along with vibrational characteristics. Also, energy barriers for configurational transitions were calculated for selected cases. Simulation calculations for surfaces produced new results in areas related to surface energies, reconstructions and relaxations, surface defects, surface stresses as well as adsorption and nucleation processes. Simulations were also performed on bulk materials. Calculated results provided an atomic level understanding on energetics and structures of point defects, crystal stability, elastic properties, and materials strength for various systems. Calculations involving polymeric materials include studies of polar polymer melts and polymer/solid interfaces. Simulations employing specially developed codes provided significant information about energetics and conformational characteristics of different polymeric chains.

Halicioglu, Timur↗
NASA NTRS1975

M-DAS: System for multispectral data analysis

M-DAS is a ground data processing system designed for analysis of multispectral data. M-DAS operates on multispectral data from LANDSAT, S-192, M2S and other sources in CCT form. Interactive training by operator-investigators using a variable cursor on a color display was used to derive optimum processing coefficients and data on cluster separability. An advanced multivariate normal-maximum likelihood processing algorithm was used to produce output in various formats: color-coded film images, geometrically corrected map overlays, moving displays of scene sections, coverage tabulations and categorized CCTs. The analysis procedure for M-DAS involves three phases: (1) screening and training, (2) analysis of training data to compute performance predictions and processing coefficients, and (3) processing of multichannel input data into categorized results. Typical M-DAS applications involve iteration between each of these phases. A series of photographs of the M-DAS display are used to illustrate M-DAS operation.

Johnson, R. H.↗
NASA NTRS1992

Theoretical research program to study chemical reactions in AOTV bow shock tubes

Effort continued through this period to refine and expand the SIRIUS/ABACUS program package for CASSCF and RASSCF second derivatives. A new approach to computing the Gaussian integral derivatives that require much of the time in gradient and Hessian calculations was devised. Several different studies were undertaken in the area of application calculations. These include a study of proton transfer in the HF trimer, which provides an analog of rearrangement reactions, and the extension of our previous work on Be and Mg clusters to Ca clusters. In addition, a very accurate investigation of the lowest-lying potential curves of the O2 molecule was completed. These curves are essential for evaluating different models of the terrestrial atmosphere nightglow. The most effort this year was devoted to a large scale investigation of stationary points on the C4H4 surface, and the thermochemistry of acetylene/acetylene reaction.

Taylor, Peter↗
NASA NTRS1993

Ab initio characterization of ClOOH - Implications for atmospheric chemistry

The equilibrium structure, dipole moment, harmonic vibrational frequencies, and infrared intensities of ClOOH are determined using the CCSD(T) (singles and doubles coupled-cluster theory plus a perturbational estimate of the effects of connected triple excitations) electronic structure method in conjunction with a TZ2P (triple xi plus double polarization) basis set. The heat of formation of CIOOH is determined (using two different isodesmic reactions) to be +1.5 +/- 1 kcal/mol at 0 K or +0.2 +/- 1 kcal/mol at 298.15 K. Using the computed heat of formation, we examined the stability of ClOOH with respect to the ClO + OH, ClOO + H, and HOO + Cl dissociation limits. Since ClOOH is found to be quite stable, it is argued that the chemistry of ClOOH should be included in any accurate modeling of the stratosphere.

Lee, Timothy J.↗
NASA NTRS2014

The Parallel System for Integrating Impact Models and Sectors (pSIMS)

We present a framework for massively parallel climate impact simulations: the parallel System for Integrating Impact Models and Sectors (pSIMS). This framework comprises a) tools for ingesting and converting large amounts of data to a versatile datatype based on a common geospatial grid; b) tools for translating this datatype into custom formats for site-based models; c) a scalable parallel framework for performing large ensemble simulations, using any one of a number of different impacts models, on clusters, supercomputers, distributed grids, or clouds; d) tools and data standards for reformatting outputs to common datatypes for analysis and visualization; and e) methodologies for aggregating these datatypes to arbitrary spatial scales such as administrative and environmental demarcations. By automating many time-consuming and error-prone aspects of large-scale climate impacts studies, pSIMS accelerates computational research, encourages model intercomparison, and enhances reproducibility of simulation results. We present the pSIMS design and use example assessments to demonstrate its multi-model, multi-scale, and multi-sector versatility.

crop modeling↗
NASA NTRS2019

Lens Model and Source Reconstruction Reveal the Morphology and Star Formation Distribution in the Cool Spiral LIRG SGAS J143845.1+145407

We present Hubble Space Telescope (HST) imaging and grism spectroscopy of a strongly lensed LIRG at z = 0.816, SGAS 143845.1+145407, and use the magnification boost of gravitational lensing to study the distribution of star formation throughout this galaxy. Based on the HST imaging data, we create a lens model for this system; we compute the mass distribution and magnification map of the z = 0.237 foreground lens. We find that the magnification of the lensed galaxy ranges between 2 and 10, with a total magnification (measured over all the images of the source) of μ = ${11.8}_{-2.4}^{+4.6}$. We find that the total projected mass density within ∼34 kpc of the brightest cluster galaxy is 6.0(+0.3,-0.7) x 10^(12)Mꙩ. Using the lens model we create a source reconstruction for SGAS 143845.1+145407, which, paired with a faint detection of Hα in the grism spectroscopy, allows us to finally comment directly on the distribution of star formation in a z ∼ 1 LIRG. We find widespread star formation across this galaxy, in agreement with the current understanding of these objects. However, we note a deficit of Hα emission in the nucleus of SGAS 143845.1+145407, likely due to dust extinction.

Samuel J. Dunham↗
NASA NTRS1993

Four-Nozzle Benchmark Wind Tunnel Model USA Code Solutions for Simulation of Multiple Rocket Base Flow Recirculation at 145,000 Feet Altitude

Multiple rocket exhaust plume interactions at high altitudes can produce base flow recirculation with attendant alteration of the base pressure coefficient and increased base heating. A search for a good wind tunnel benchmark problem to check grid clustering technique and turbulence modeling turned up the experiment done at AEDC in 1961 by Goethert and Matz on a 4.25-in. diameter domed missile base model with four rocket nozzles. This wind tunnel model with varied external bleed air flow for the base flow wake produced measured p/p(sub ref) at the center of the base as high as 3.3 due to plume flow recirculation back onto the base. At that time in 1961, relatively inexpensive experimentation with air at gamma = 1.4 and nozzle A(sub e)/A of 10.6 and theta(sub n) = 7.55 deg with P(sub c) = 155 psia simulated a LO2/LH2 rocket exhaust plume with gamma = 1.20, A(sub e)/A of 78 and P(sub c) about 1,000 psia. An array of base pressure taps on the aft dome gave a clear measurement of the plume recirculation effects at p(infinity) = 4.76 psfa corresponding to 145,000 ft altitude. Our CFD computations of the flow field with direct comparison of computed-versus-measured base pressure distribution (across the dome) provide detailed information on velocities and particle traces as well eddy viscosity in the base and nozzle region. The solution was obtained using a six-zone mesh with 284,000 grid points for one quadrant taking advantage of symmetry. Results are compared using a zero-equation algebraic and a one-equation pointwise R(sub t) turbulence model (work in progress). Good agreement with the experimental pressure data was obtained with both; and this benchmark showed the importance of: (1) proper grid clustering and (2) proper choice of turbulence modeling for rocket plume problems/recirculation at high altitude.

Dougherty, N. S.↗
NASA NTRSDate not supplied

Metal Hydroxide and Oxyhydroxide Gas Database

In a high temperature combustion situation such as a gas turbine or rocket engine, combustion products include water vapor. This water vapor reacts with oxides in the hot-gas-path to form volatile hydroxides and oxyhydroxides. The oxides may be structural oxide components or protective oxides on alloys or non-oxide ceramics. In either case, this enhanced volatilization leads to degradation of components. Reliable thermochemical data for many metal hydroxides and oxyhydroxides has not been available. We review a database put together at NASA over many years based on experimental and ab initio computations for thermochemical data of Al, Si, Ti, Cr, Mn, Y, Zr, La, Ta, Gd, and Yb hydroxides and oxyhydroxides. Experimental methods for measuring thermodynamic quantities of metal hydroxides and oxyhydroxides are limited since the required high temperatures and high pressures preclude many conventional methods. Nonetheless, transpiration has proven a valuable tool in our laboratories for the Si-O-H, Cr-O-H, and Ti-O-H systems. Data are analyzed with second and third law methods. These data can be leveraged with quantum chemistry to provide reliable free energy functions for the third law calculation and comparison to the derived enthalpies of formation. Both wave function and DFT methods can be utilized for deriving the thermodynamic functions for the various metal hydroxides and oxyhydroxides. We have found that, in general, reasonable molecular geometries and spectroscopic data can be derived with a relatively low level of theory, i.e. DFT with the B3LYP functional. Accurate calculations of the enthalpy of formation require higher levels of theory, such as the Coupled Cluster, Singles, Doubles, and perturbative Triples CCSD(T) approach with complete basis sets (CBS). Also, corrections for hindered rotations and anharmonicity are necessary. For some symmetries, the anharmonic correction has proven to be a challenge and we have found that this is only treated properly by certain codes. The database lists the fHo(298), So(298), and Cp in the form Cp = A + BT + CT2 + D/T + E/T2, where A, B, C, D, and E are the fitting constants. Thus, it can be easily used in any of the common computational thermochemistry codes. To date, the database contains 51 gaseous species of the formula MOx(OH)y.

Metal Hydroxides↗
NASA NTRS2011

Porting a Hall MHD Code to a Graphic Processing Unit

We present our experience porting a Hall MHD code to a Graphics Processing Unit (GPU). The code is a 2nd order accurate MUSCL-Hancock scheme which makes use of an HLL Riemann solver to compute numerical fluxes and second-order finite differences to compute the Hall contribution to the electric field. The divergence of the magnetic field is controlled with Dedner?s hyperbolic divergence cleaning method. Preliminary benchmark tests indicate a speedup (relative to a single Nehalem core) of 58x for a double precision calculation. We discuss scaling issues which arise when distributing work across multiple GPUs in a CPU-GPU cluster.

Dorelli, John C.↗
NASA NTRSDate not supplied

Data Quality Challenges for Analysis Ready Data (ARD)

Data quality plays a critical role in research and applications. The Earth Science Information Partners (ESIP) Information Quality Cluster (IQC) defines four aspects of information quality: Science, Product, Stewardship, and Services. The ESIP IQC has become internationally recognized as an authoritative and responsive resource of information and guidance to data producers and distributors on how to implement data quality standards and best practices for their science data systems, datasets, and data/metadata dissemination services. In recent years, cloud computing environments have provided scale-up capabilities such as data archives and services, enabling interdisciplinary science and applications. More value-added products are expected from data service providers, including Analysis Ready Data (ARD). ARD refers to data that has been preprocessed into a form that allows immediate analysis by the end user, processed to a minimum set of requirements and provides interoperability over time and across multiple datasets. Once a dataset has been developed from its original form to produce ARD, what quality characteristics should the derived dataset or ARD possess? Also, is it safe to assume that the quality of the ARD is consistent with the quality of the source data, or are there special attributes to an ARD that would warrant a secondary, independent quality assessment? What provenance (also called “data lineage”) information needs to be included in ARD? It is important to answer these questions, especially given the ease of use of ARD, and the consequent temptation by users to trust ARD without understanding the limitations or possible variations in quality compared to the source data. In this presentation, we will discuss data quality challenges for ARD products and services and introduce IQC for participation.

data quality↗
NASA NTRS1993

Switch configuration for migration to optical fiber network

The purpose is to investigate the migration of an Ethernet LAN segment to fiber optics. At the present time it is proposed to support a Fiber Distributed Data Interface (FDDI) backbone and to upgrade the VAX cluster to fiber optic interface. Possibly some workstations will have an FDDI interface. The remaining stations on the Ethernet LAN will be segmented. The rationale for migrating from the present Ethernet configuration to a fiber optic backbone is due to the increase in the number of workstations and the movement of applications to a windowing environment, extensive document transfers, and compute intensive applications.

Zobrist, George W.↗
NASA NTRS1996

Chemistry by Way of Density Functional Theory

In this work we demonstrate that density functional theory (DFT) methods make an important contribution to understanding chemical systems and are an important additional method for the computational chemist. We report calibration calculations obtained with different functionals for the 55 G2 molecules to justify our selection of the B3LYP functional. We show that accurate geometries and vibrational frequencies obtained at the B3LYP level can be combined with traditional methods to simplify the calculation of accurate heats of formation. We illustrate the application of the B3LYP approach to a variety of chemical problems from the vibrational frequencies of polycyclic aromatic hydrocarbons to transition metal systems. We show that the B3LYP method typically performs better than the MP2 method at a significantly lower computational cost. Thus the B3LYP method allows us to extend our studies to much larger systems while maintaining a high degree of accuracy. We show that for transition metal systems, the B3LYP bond energies are typically of sufficient accuracy that they can be used to explain experimental trends and even differentiate between different experimental values. We show that for boron clusters the B3LYP energetics are not as good as for many of the other systems presented, but even in this case the B3LYP approach is able to help understand the experimental trends.

Bauschlicher, Charles W., Jr.↗
NASA NTRS2015

Real-Time Kennedy Space Center and Cape Canaveral Air Force Station High-Resolution Model Implementation and Verification

NASA's Launch Services Program, Ground Systems Development and Operations, Space Launch System and other programs at Kennedy Space Center (KSC) and Cape Canaveral Air Force Station (CCAFS) use the daily and weekly weather forecasts issued by the 45th Weather Squadron (45 WS) as decision tools for their day-to-day and launch operations on the Eastern Range (ER). Examples include determining if they need to limit activities such as vehicle transport to the launch pad, protect people, structures or exposed launch vehicles given a threat of severe weather, or reschedule other critical operations. The 45 WS uses numerical weather prediction models as a guide for these weather forecasts, particularly the Air Force Weather Agency (AFWA) 1.67 km Weather Research and Forecasting (WRF) model. Considering the 45 WS forecasters' and Launch Weather Officers' (LWO) extensive use of the AFWA model, the 45 WS proposed a task at the September 2013 Applied Meteorology Unit (AMU) Tasking Meeting requesting the AMU verify this model. Due to the lack of archived model data available from AFWA, verification is not yet possible. Instead, the AMU proposed to implement and verify the performance of an ER version of the high-resolution WRF Environmental Modeling System (EMS) model configured by the AMU (Watson 2013) in real time. Implementing a real-time version of the ER WRF-EMS would generate a larger database of model output than in the previous AMU task for determining model performance, and allows the AMU more control over and access to the model output archive. The tasking group agreed to this proposal; therefore the AMU implemented the WRF-EMS model on the second of two NASA AMU modeling clusters. The AMU also calculated verification statistics to determine model performance compared to observational data. Finally, the AMU made the model output available on the AMU Advanced Weather Interactive Processing System II (AWIPS II) servers, which allows the 45 WS and AMU staff to customize the model output display on the AMU and Range Weather Operations (RWO) AWIPS II client computers and conduct real-time subjective analyses.

Meteorology↗
NASA NTRS1983

The relative importance of aerosol scattering and absorption in remote sensing

The relative importance of aerosol optical thickness and absorption is illustrated through computing radiances for radiative transfer models. The radiance of sunlight reflected from models of the earth-atmosphere system is computed as a function of the aerosol optical thickness and its albedo of single scattering; it is noted that the albedo varies from 0.6 in urban environment to nearly 1 in areas with low graphitic carbon content. The calculations are applied to the example of satellite measurements of biomass. It is found that when surface classifications are made by means of clustering techniques the presence of gradients in the aerosol optical properties results in the dispersion of points in the plot correlating radiances viewed in two different directions. Finally, though such a remote sensing parameter as contrast is weakly affected by aerosol absorption, it is highly dependent on its optical thickness.

Fraser, R. S.↗
NASA NTRS1992

The use of the wavelet cluster analysis for asteroid family determination

The asteroid family determination has been analysis method dependent for a longtime. A new cluster analysis based on the wavelet transform has allowed an automatic definition of families with a degree of significance versus randomness. Actually this method is rather general and can be applied to any kind of structural analysis. We will rather concentrate on the main features of the method. The analysis has been performed on the set of 4100 asteroid proper elements computed by Milani and Knezevic (see Milani and Knezevic 1990). Twenty one families have been found and influence of the chosen metric has been tested. The results have beem compared to Zappala et al.'s ones (see Zappala et al 1990) obtained by the use of a completely different method applied to the same set of data. For the first time, a good overlapping has been found between both method results, not only for the big well known families but also for the smallest ones.

Benjoya, Phillippe↗