Minimum basis wavefunctions for water
Molecular orbital wave functions for water molecule, using minimum set of Slater orbitals
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Molecular orbital wave functions for water molecule, using minimum set of Slater orbitals
General principles for integrating data from different sources are derived from the experience of registration of SAR images with digital elevation models (DEM) data. The integration consists of establishing geometrical relations between the data sets that allow us to accumulate information from both data sets for any given object point (e.g., elevation, slope, backscatter of ground cover, etc.). Since the geometries of the two data are completely different they cannot be compared on a pixel by pixel basis. The presented approach detects instances of higher level features in both data sets independently and performs the matching at the high level. Besides the efficiency of this general strategy it further allows the integration of additional knowledge sources: world knowledge and sensor characteristics are also useful sources of information. The SAR features layover and shadow can be detected easily in SAR images. An analytical method to find such regions also in a DEM needs in addition the parameters of the flight path of the SAR sensor and the range projection model. The generation of the SAR layover and shadow maps is summarized and new extensions to this method are proposed.
The Satellite Data Distribution System (SDDS) serves to process satellite-derived ocean observations, generate ocean analysis and forecast products, and distribute the products to a limited set of commercial users. The SDDS functions in series with the U.S. Navy Fleet Numerical Oceanography Center (FNOC) to provide products on a near-real-time basis to commercial marine industries. Conventional meteorological and oceanographic observations provided to FNOC serve as the input set to the numerical analysis and forecast models. Large main-frame computers are used to analyze and forecast products on a routine, operational basis (at 6-hour and 12-hour synoptic times). The products, reformatted to meet commercial users needs, are transferred to a NASA-owned computer for storage and distribution. Access to the information is possible either by a commercial dial-up packet-switching network or by a direct computer-computer connection.
Three sets of meteorological criteria were analyzed to determine the probabilities of favorable launch and landing conditions. Probabilities were computed for every 3 hours on a yearly basis using 14 years of weather data. These temporal probability distributions, applicable to the three sets of weather criteria encompassing benign, moderate and severe weather conditions, were computed for both Kennedy Space Center (KSC) and Edwards Air Force Base. In addition, conditional probabilities were computed for unfavorable weather conditions occurring after a delay which may or may not be due to weather conditions. Also, for KSC, the probabilities of favorable landing conditions at various times after favorable launch conditions have prevailed have been computed so that mission probabilities may be more accurately computed for those time periods when persistence strongly correlates weather conditions. Moreover, the probabilities and conditional probabilities of the occurrence of both favorable and unfavorable events for each individual criterion were computed to indicate the significance of each weather element to the overall result.
Powerful new parallel data mining algorithms can produce diagnostic and prognostic numerical models and analyses from observational data. These techniques yield higher-resolution measures than ever before of environmental parameters by fusing synoptic imagery and time-series measurements. These techniques are general and relevant to observational data, including raster, vector, and scalar, and can be applied in all Earth- and environmental science domains. Because they can be highly automated and are parallel, they scale to large spatial domains and are well suited to change and gap detection. This makes it possible to analyze spatial and temporal gaps in information, and facilitates within-mission replanning to optimize the allocation of observational resources. The basis of the innovation is the extension of a recently developed set of algorithms packaged into MineTool to multi-variate time-series data. MineTool is unique in that it automates the various steps of the data mining process, thus making it amenable to autonomous analysis of large data sets. Unlike techniques such as Artificial Neural Nets, which yield a blackbox solution, MineTool's outcome is always an analytical model in parametric form that expresses the output in terms of the input variables. This has the advantage that the derived equation can then be used to gain insight into the physical relevance and relative importance of the parameters and coefficients in the model. This is referred to as physics-mining of data. The capabilities of MineTool are extended to include both supervised and unsupervised algorithms, handle multi-type data sets, and parallelize it.
A representation was described whose basis levels combine the important physical aspects of a finite set of plane waves with those of a set of Bloch tight-binding levels. The chosen combination has a particularly simple dependence on the wave vector within the Brillouin Zone, and its use in reducing the standard one-electron band structure problem to the usual secular equation has the advantage that the lattice sums involved in the calculation of the matrix elements are actually independent of the wave vector. For systems with complicated crystal structures, for which the Korringa-Kohn-Rostoker (KKR), Augmented-Plane Wave (APW) and Orthogonalized-Plane Wave (OPW) methods are difficult to apply, the present method leads to results with satisfactory accuracy and convergence.
The cascade of kinetic energy from macro- through mesoscales is studied on the basis of a nested grid system used to solve a set of nonlinear differential equations. The kinetic energy cascade and the concentration of vorticity through the hydrodynamic spectrum provide a means for predicting the location and intensity of severe weather from large-scale data sets. A mechanism described by the surface pressure tendency equation proves to be important in explaining how initial middle-tropospheric mass-momentum imbalances alter the low-level pressure field.
In connection with the decision to conduct with the Shuttle an orbital, manned mission on its first launch, certain problems arose related to mission safety, which had to be provided without the benefit of either a graduated flight test program or an initial unmanned flight concept. In an attempt to overcome these problems, the philosophy was adopted to provide a reasonable estimate of maximum possible errors in the preflight predicted aerodynamics. The flight control system (FCS) was to be certified on the basis of the estimated errors prior to STS-1. A set of 'worst case' aerodynamic uncertainties, defined as variations, was developed. As part of the first flight certification, variations, combined with other system uncertainties, were used to 'stress' the FCS through a multitude of simulations. Attention is given to an Orbiter description, the entry mission, the correlation of aerodynamic uncertainties, the application of aerodynamic variation in FCS and trajectory design, and the flight test results.
Cartographic models addressing a wide variety of applications are composed of fundamental map processing operations. These primitive operations are neither data base nor application-specific. By organizing the set of operations into a mathematical-like structure, the basis for a generalized cartographic modeling framework can be developed. Among the major classes of primitive operations are those associated with reclassifying map categories, overlaying maps, determining distance and connectivity, and characterizing cartographic neighborhoods. The conceptual framework of cartographic modeling is established and techniques for characterizing neighborhoods are used as a means of demonstrating some of the more sophisticated procedures of computer-assisted map analysis. A cartographic model for assessing effective roundwood supply is briefly described as an example of a computer analysis. Most of the techniques described have been implemented as part of the map analysis package developed at the Yale School of Forestry and Environmental Studies.
It is shown that the use of a two-parameter limbshift and a meridional flow velocity fits solar velocity data better than the standard analysis defined by Howard et al. (1980). The data used are the coarse residual velocity arrays, with 34 equal intervals in both sine latitude and sine longitude. There are a total of 2899 full-disk observations between January 1, 1967, and December 12, 1980. The original velocity fields are reconstructed by adding into the residual arrays the large-scale patterns that were measured and removed on a daily basis by a standard reduction. Tests of this reconstituded data set show that no significant errors are introduced in the analysis of large-scale velocity fields. The results of the analysis presented here imply that the study of solar velocity pattern at the level of a few m/s requires that magnetic regions be treated separately from nonmagnetic regions.
An improved version of the Pionner-Venus orbital data was used for a statistical analysis of global radar roughness and (alpha(0)) (rho) reflectivity. Classification maps of the venusian surface are produced in a supervised manner on the basis of statistical and empirical studies of the individual data sets. The primary objective is to assess the degree of homogeneity of surface radar properties within topographic provinces in order to map possible geologic boundaries. Maps were produced by correlating two data sets at a time. Classification of specific regions, such as Ishtar, has demonstrated that distinct geological units can be identified.
Radiometric characteristics of the LANDSAT 4 Thematic Mapper (TM) that can be established without absolute calibration of spectral data are examined. The analysis is based on radiometrically raw (B type) data of three daytime and two nighttime scenes. A set of 512 lines are examined on an individual detector basis. Subscenes selected for uniform-radiance are used to characterize subtle radiometric differences and noise problems. Virtually all nonideal performance is incorporated into the fully processed (P type) images, but disguised by the geometric resampling technique.
The nature of the Venusian surface was revealed by Pioneer-Venus (PV) observations to be diverse at scales from tens to hundreds of kilometers. Spatial correlations of elevation, surface roughness, and radar reflectivity were investigated as a means of assessing the degree of homogeneity of surface radar properties within topographic provinces and develop a map of possible geologic boundaries. Correlations were performed in a supervised fashion whereby unit boundaries were selected on the basis of statistical and empirical studies of the individual data sets. Interpretations of these units in terms of geologic characteristics are based on the determination of physical units which are model dependent.
NASA-Langley's Acoustics Division Data Reduction and Analysis System (ADDRAS) computes far-field noise spectral estimates on the basis of weather, aircraft state and position, and acoustic data sets. The structure and function of ADDRAS has been primarily determined by rotorcraft flyover test design, data acquisition, and data flow criteria. The RIM relational database management software is used to organize all noise test data for ADDRAS.
The development of an enhanced convection channel within the Southern Hemisphere cusp ionosphere is studied on the basis of the combined PACE radar and DMSP satellite data sets. All data (solar wind and ionosphere) suggest that the event is a signature of enhanced magnetic merging, i.e., the ionospheric signature of a flux transfer event. It is suggested that such a signature arises from several minutes of continuous, enhanced merging rather than short-lived pulses of enhanced merging. The channel propagated westward at about 3 km/s and, when fully formed, its zonal dimension was comparable with the average width of the cusp. It is shown that the formation of polar patches is associated with the occurrence of convection channels.
Advances in imaging spectroscopy have indicated that remotely sensed reflectance measurements of the plant canopy may be used to identify and qualify some classes of canopy biochemicals; however, the manner in which differences in biochemical compositions translate into differences is not well understood. Most frequently, multiple linear regression routines have been used to correlate narrow band reflectance values with measured biochemical concentrations. Although some success has been achieved with such methods for given data sets, the bands selected by multiple regression are not consistent between data sets, nor is it always clear what physical or biological basis underlies the correlation. To examine the relationship between biochemical concentration and leaf reflectance signal we chose to focus on the visible spectrum where the primary biochemical absorbances are due to photosynthetic pigments. Pigments provide a range of absorbance features, occur over a range of concentrations in natural samples, and are ecophysiologically important. Concentrations of chlorophyll, for example, have been strongly correlated to foliar nitrogen levels within a species and to photosynthetic capacity across many species. In addition pigments effectively absorb most of the photosynthetically active radiation between 400-700 nm, a spectral region for which silicon detectors have good signal/noise characteristics. Our strategy has been to sample a variety of naturally occurring species to measure leaf reflectance and pigment compositions. We hope to extend our understanding of pigment reflectance effects to interpret small overlapping absorbances of other biochemicals in the infrared region. For this reason, selected samples were also tested to determine total nitrogen, crude protein, cellulose, and lignin levels. Leaf reflectance spectra measured with AVIRIS bandwidths and wavelengths were compared between species and within species and for differences between seasons, for changes in the the shape of the spectra. We attempt to statistically correlate these shape changes with differences in pigment compositions. In parallel with our comparisons of pigment composition and leaf reflectance, we have modified the PROSPECT leaf reflectance model to test the contributions of pigments or pigment group concentrations. PROSPECT considers a leaf as a multi-layer dielectric plane with an uneven surface. Jacquemoud adapted the basic analysis of Allen for surface effects, a leaf thickness factor, and the absorption of water and chlorophyll (actually all pigments) and the plant matrix. Our modifications to PROSPECT in the forward direction include breaking out the pigment concentration parameter into separate components for chlorophyll a and b and a number of xanthophylls and carotenes, and introducing a shift and convolution function to model the spread and shift from their in vitro measurements to their in vivo state. Further, we have considered how the matrix elements (i.e., all biochemicals and structural effects not modeled explicity) vary with species.
This paper demonstrates the need for a nonconstant initialization for the fractional calculus and establishes a basic definition set for the initialized fractional differintegral. This definition set allows the formalization of an initialized fractional calculus. Two basis calculi are considered; the Riemann-Liouville and the Grunwald fractional calculi. Two forms of initialization, terminal and side are developed.
Habitability and human factors are necessary criteria to include in the iterative process of Tier I mission design. Bringing these criteria in at the first, conceptual stage of design for exploration and other human-rated missions can greatly reduce mission development costs, raise the level of efficiency and viability, and improve the chances of success. In offering a rationale for this argument, the authors give an example of how the habitability expert can contribute to early mission and vehicle architecture by defining the formal implications of a habitable vehicle, assessing the viability of units already proposed for exploration missions on the basis of these criteria, and finally, by offering an optimal set of solutions for an example mission. In this, the first of three papers, we summarize the basic factors associated with habitability, delineate their formal implications for crew accommodations in a long-duration environment, and show examples of how these principles have been applied in two projects at NASA's Johnson Space Center: the BIO-Plex test facility, and TransHab.