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At least 145 records · Page 8

The vibrational frequencies of ozone

The singles and doubles coupled-cluster (CCSD) method is used, together with the recently proposed CCSD(T) and CCSDT-1 methods, to determine the equilibrium structure and harmonic frequencies of ozone at various levels, on the basis of large one-particle basis sets. It is demonstrated that f-type functions are required in order to obtain quantitative accuracy for the equilibrium structure and harmonic frequencies. The CCSD(T) level of theory, in conjunction with a (4s 3p 2d 1f) atomic natural orbital set, yields an equilibrium geometry and harmonic frequencies that are in excellent agreement with experimental results; an effort has accordingly been made to determine the cubic and quartic force constants, and evaluate the anharmonic corrections to the fundamental vibrational frequencies.

Lee, Timothy J.↗

Galactic OB associations in the northern Milky Way Galaxy. I - Longitudes 55 deg to 150 deg

The literature on all OB associations was reviewed, and their IRAS point source content was studied, between galactic longitude 55 and 150 deg. Only one third of the 24 associations listed by Ruprecht et al. (1981) have been the subject of individual studies designed to identify the brightest stars. Distances to all of these were recomputed using the method of cluster fitting of the B main sequence stars, which makes it poossible to reexamine the absolute magnitude calibration of the O stars, as well as for the red supergiant candidate stars. Also examined was the composite HR diagram for these associations. Associations with the best defined main sequences, which also tend to contain very young clusters, referred to here as OB clusters, have extremely few evolved B and A or red supergiants. Associations with poorly defined main sequences and few OB clusters have many more evolved stars. They also show an effect in the upper HR diagram referred to as a ledge by Fitzpatrick and Garmany (1990) in similar data for the Large Magellanic Cloud. It is suggested that the differences in the associations are not just observational selection effects but represent real differences in age and formation history.

Garmany, C. D.↗

Electrostatic propulsion using C60 molecules

An evaluation is made of the potential benefits of C60 molecules as a basis for ion propulsion. Because C60 is storable, its use may result in a larger usable propellant fraction than previous methods of cluster ion propulsion. C60 may also relax such engineering constraints as grid spacing, which restrict the performance of noble gas ion propulsion. The behavior of C60 in a plasma discharge environment, as well as various electron impact cross sections of the molecule, will greatly afftect the feasibility of the concept.

Leifer, Stephanie D.↗

Electronic and total energy properties of ternary and quaternary semiconductor compounds, alloys and superlattices

This proposal was mainly concerned with the theoretical study of semiconductor compounds, alloys, and superlattices of interest for photovoltaic applications. In the last year (1991) a study was devoted to metal/graphite bonding in relation to use of graphite fiber reinforcement of Cu for high thermal conductivity applications. The main research topics addressed during the full period of the grant are briefly described: studies of the In-Ga-As ternary system; band-offsets at common anion and InAs/GaSb/AlSb heterojunctions; alloy theory (cluster variation method); and Cu/graphite bonding. Most of the work was described more extensively in previous yearly reports and renewal applications and in publications. The last topic is described more fully in a separate report attached. A list of publications resulting directly from this grant or from other grants but related to this work and of conference presentations is given at the end.

Lambrecht, Walter R. L.↗

Automatic generation of efficient orderings of events for scheduling applications

In scheduling a set of tasks, it is often not known with certainty how long a given event will take. We call this duration uncertainty. Duration uncertainty is a primary obstacle to the successful completion of a schedule. If a duration of one task is longer than expected, the remaining tasks are delayed. The delay may result in the abandonment of the schedule itself, a phenomenon known as schedule breakage. One response to schedule breakage is on-line, dynamic rescheduling. A more recent alternative is called proactive rescheduling. This method uses statistical data about the durations of events in order to anticipate the locations in the schedule where breakage is likely prior to the execution of the schedule. It generates alternative schedules at such sensitive points, which can be then applied by the scheduler at execution time, without the delay incurred by dynamic rescheduling. This paper proposes a technique for making proactive error management more effective. The technique is based on applying a similarity-based method of clustering to the problem of identifying similar events in a set of events.

Morris, Robert A.↗

The Chandra Large Area Synoptic X-ray Survey (CLASXS) of the Lockman Hole-Northwest: The X-ray Catalog

We present the X-ray catalog and basic results from our Chandra Large Area Synoptic X-ray Survey (CLASXS) of the Lockman Hole-Northwest field. Our 9 ACIS-I fields cover a contiguous solid angle of approx. 0.4 sq deg and reach fluxes of 5 x 10(exp -16) ergs/sq cm/s (0.4-2 keV) and 3 x 10(exp -15) ergs/sq cm/s (2-8 keV). Our survey bridges the gap between ultradeep pencil-beam surveys, such as the Chandra Deep Fields (CDFs), and shallower, large area surveys, allowing a better probe of the X-ray sources that contribute most of the 2-10 keV cosmic X-ray background (CXB). We find a total of 525 X-ray point sources and 4 extended sources. At approx. 10(exp -14)ergs/sq cm/s (2-8 keV), our number counts are significantly higher than those of several non-contiguous, large area surveys. Such a large difference is an indication of clustering in the X-ray sources. On the other hand, the integrated flux from the CLASXS field, combined with ASCA and Chandra ultradeep surveys, is consistent with results from other large area surveys, within the variance of the CXB. We see spectral evolution in the hardening of the sources at fluxes below 10(exp -14) ergs/sq cm/s, which agrees with previous observations from Chandra and XMM-Newton. About 1/3 of the sources in the CLASXS field have multiple observations, allowing variability tests. Above 4 x 10(exp -14) ergs/sq cm/s (0.4-8 keV), approx. 61% of the sources are variable. We also investigated the spectral variability of the variable sources. While most show spectral softening with increasing flux, or no significant spectral change, there are a few sources that show a different trend. Four extended sources in CLASXS is consistent with the previously measured LogN-LogS of galaxy clusters. Using X-ray spectra and optical colors, we argue that 3 of the 4 extended sources are galaxy clusters or galaxy groups. We report the discovery of a gravitational lensing arc associated with one of these sources. Using red sequence and brightest cluster galaxy methods, we find that the redshifts of the extended sources are in the range z approx. 0.5 - 1. The inferred masses within the Einstein radii are consistent with the mass profiles of local groups scaled to the same virial radii.

Yang, Y.↗

Method and system for data clustering for very large databases

Multi-dimensional data contained in very large databases is efficiently and accurately clustered to determine patterns therein and extract useful information from such patterns. Conventional computer processors may be used which have limited memory capacity and conventional operating speed, allowing massive data sets to be processed in a reasonable time and with reasonable computer resources. The clustering process is organized using a clustering feature tree structure wherein each clustering feature comprises the number of data points in the cluster, the linear sum of the data points in the cluster, and the square sum of the data points in the cluster. A dense region of data points is treated collectively as a single cluster, and points in sparsely occupied regions can be treated as outliers and removed from the clustering feature tree. The clustering can be carried out continuously with new data points being received and processed, and with the clustering feature tree being restructured as necessary to accommodate the information from the newly received data points.

Zhang, Tian↗

Magnetopause Reconnection Impact Parameters from Multiple Spacecraft Magnetic Field Measurements

We present a novel technique that exploits multiple spacecraft data to determine the impact parameters of the most general form of magnetic reconnection at the magnetopause. The method consists of a superposed epoch of multiple spacecraft magnetometer measurements that yields the instantaneous magnetic spatial gradients near a magnetopause reconnection site. The gradients establish the instantaneous positions of the spacecraft relative to the reconnection site. The analysis is well suited to evaluating the spatial scales of singular field line reconnection, which is characterized by a two-dimensional x-type topology adjacent and perpendicular to a reconnecting singular field line. Application of the method to Cluster data known to lie in the vicinity of a northward IMF reconnection site establishes a field topology consistent with singular field line reconnection and a normal magnetic field component of 20 nT. The corresponding current structure consists of a 130 km sheet possibly embedding a thinner. bifurcated sheet.

Wendel, Deirdre E.↗

Use of Machine Learning Techniques for Iidentification of Robust Teleconnections to East African Rainfall Variability in Observations and Models

Providing advance warning of East African rainfall variations is a particular focus of several groups including those participating in the Famine Early Warming Systems Network. Both seasonal and long-term model projections of climate variability are being used to examine the societal impacts of hydrometeorological variability on seasonal to interannual and longer time scales. The NASA / USAID SERVIR project, which leverages satellite and modeling-based resources for environmental decision making in developing nations, is focusing on the evaluation of both seasonal and climate model projections to develop downscaled scenarios for using in impact modeling. The utility of these projections is reliant on the ability of current models to capture the embedded relationships between East African rainfall and evolving forcing within the coupled ocean-atmosphere-land climate system. Previous studies have posited relationships between variations in El Niño, the Walker circulation, Pacific decadal variability (PDV), and anthropogenic forcing. This study applies machine learning methods (e.g. clustering, probabilistic graphical model, nonlinear PCA) to observational datasets in an attempt to expose the importance of local and remote forcing mechanisms of East African rainfall variability. The ability of the NASA Goddard Earth Observing System (GEOS5) coupled model to capture the associated relationships will be evaluated using Coupled Model Intercomparison Project Phase 5 (CMIP5) simulations.

Roberts, J. Brent↗

Singlet Excited States of Cl and Br Molecules: New Theories Applied to the -XO and -XO2 (X=C1 and Br) Chromophores

Electronic excitation energies are determined using single-reference based theories derived from response equations involving perturbation theory and coupled-cluster theory. These methods are applied to the singlet manifold of excited electronic states of the HClO, HBrO, HOClO, HOBrO, HClO2, and HBrO2 molecules. The reliability of the various perturbation theory approaches is assessed by comparison to the linear-response singles and doubles coupled-cluster (LRCCSD) method. The excitation energies for the Y-XO compounds are compared and contrasted for Y=H and HO, and X=Cl and Br. A similar comparison is performed for the H-XO2 compounds.

Lee, Timothy J.↗

Monitoring by Use of Clusters of Sensor-Data Vectors

The inductive monitoring system (IMS) is a system of computer hardware and software for automated monitoring of the performance, operational condition, physical integrity, and other aspects of the health of a complex engineering system (e.g., an industrial process line or a spacecraft). The input to the IMS consists of streams of digitized readings from sensors in the monitored system. The IMS determines the type and amount of any deviation of the monitored system from a nominal or normal ( healthy ) condition on the basis of a comparison between (1) vectors constructed from the incoming sensor data and (2) corresponding vectors in a database of nominal or normal behavior. The term inductive reflects the use of a process reminiscent of traditional mathematical induction to learn about normal operation and build the nominal-condition database. The IMS offers two major advantages over prior computational monitoring systems: The computational burden of the IMS is significantly smaller, and there is no need for abnormal-condition sensor data for training the IMS to recognize abnormal conditions. The figure schematically depicts the relationships among the computational processes effected by the IMS. Training sensor data are gathered during normal operation of the monitored system, detailed computational simulation of operation of the monitored system, or both. The training data are formed into vectors that are used to generate the database. The vectors in the database are clustered into regions that represent normal or nominal operation. Once the database has been generated, the IMS compares the vectors of incoming sensor data with vectors representative of the clusters. The monitored system is deemed to be operating normally or abnormally, depending on whether the vector of incoming sensor data is or is not, respectively, sufficiently close to one of the clusters. For this purpose, a distance between two vectors is calculated by a suitable metric (e.g., Euclidean distance) and "sufficiently close" signifies lying at a distance less than a specified threshold value. It must be emphasized that although the IMS is intended to detect off-nominal or abnormal performance or health, it is not necessarily capable of performing a thorough or detailed diagnosis. Limited diagnostic information may be available under some circumstances. For example, the distance of a vector of incoming sensor data from the nearest cluster could serve as an indication of the severity of a malfunction. The identity of the nearest cluster may be a clue as to the identity of the malfunctioning component or subsystem. It is possible to decrease the IMS computation time by use of a combination of cluster-indexing and -retrieval methods. For example, in one method, the distances between each cluster and two or more reference vectors can be used for the purpose of indexing and retrieval. The clusters are sorted into a list according to these distance values, typically in ascending order of distance. When a set of input data arrives and is to be tested, the data are first arranged as an ordered set (that is, a vector). The distances from the input vector to the reference points are computed. The search of clusters from the list can then be limited to those clusters lying within a certain distance range from the input vector; the computation time is reduced by not searching the clusters at a greater distance.

Iverson, David L.↗

Sulfur in Cometary Dust

The computer-intensive project consisted of the analysis and synthesis of existing data on composition of comet Halley dust particles. The main objective was to obtain a complete inventory of sulfur containing compounds in the comet Halley dust by building upon the existing classification of organic and inorganic compounds and applying a variety of statistical techniques for cluster and cross-correlational analyses. A student hired for this project wrote and tested the software to perform cluster analysis. The following tasks were carried out: (1) selecting the data from existing database for the proposed project; (2) finding access to a standard library of statistical routines for cluster analysis; (3) reformatting the data as necessary for input into the library routines; (4) performing cluster analysis and constructing hierarchical cluster trees using three methods to define the proximity of clusters; (5) presenting the output results in different formats to facilitate the interpretation of the obtained cluster trees; (6) selecting groups of data points common for all three trees as stable clusters. We have also considered the chemistry of sulfur in inorganic compounds.

Fomenkova, M. N.↗

Device and method to enhance availability of cluster-based processing systems

An electronic computing device including at least one processing unit that implements a specific fault signal upon experiencing an associated fault, a control unit that generates a specific recovery signal upon receiving the fault signal from the at least one processing unit, and at least one input memory unit. The recovery signal initiates specific recovery processes in the at least one processing unit. The input memory buffers input data signals input to the at least one processing unit that experienced the fault during the recovery period.

Lupia, David J.↗

A measurement of the Hubble constant from the X-ray properties and the Sunyaev-Zel'dovich effect of Abell 2218

The distance of the cluster of galaxies Abell 2218, and hence the value of the Hubble constant, has been measured by comparing the X-ray properties and the Sunyaev-Zel'dovich effect of the cluster. The result for the Hubble constant is H(sub zero) = 65 +/- 25 km/s/MPC, where the error includes the random and systematic errors, combined in quadrature, and the largest contributions to the overall error come from systematic errors in the Sunyaev-Zel'dovich effect data and in the X-ray spectrum of the cluster. The X-ray and Sunyaev-Zel'dovich effect data are consistent with the same model for the intergalactic medium in Abell 2218 (an isothermal Beta-model with Beta is about 0.65 and cluster core radius about 1.0 min). A prevous report of a smaller Hubble constant, found by applying the same method on the same cluster, is shown to be based on a model for the cluster gas that is inconsistent with the Einstein IPC data. The present result for the Hubble constant is consistent with the value found earlier for the cluster Abell 665: by combining the results of the method for both clusters we conclude that the value of the Hubble constant is H(sub zero) = 55 +/- 17 km/s/MPC.

Birkinshaw, M.↗

Geography of cretaceous extinctions: Data base development

Data bases built from the source literature are plagued by problems of data quality. Unless the data acquisition is done by experts, working slowly, the data base may contain so much garbage that true signals and patterns cannot be detected. On the other hand, high quality data bases develop so slowly that satisfactory statistical analysis may never be possible due to the small sample sizes. Results of a test are presented of the opposite strategy: rapid data acquisition by non-experts with minimal control on data quality. A published list of 186 species and genera of fossil invertibrates of the latest Cretaceous Age (Maestrichtian) were located through a random search of the paleobiological and geological literature. The geographic location for each faunal list was then transformed electronically to Maestrichtian latitude and longitude and the lists were further digested to identify the genera occurring in each ten-degree, latitude-longitude block. The geographical lists were clustered using the Otsuka similarity coefficient and a standard unweight-pair-group method. The resulting clusters are remarkably consistent geographically, indicating that a strong biogeographic signal is visible despite low-quality data. A further test evaluated the geographic pattern of end-Cretaceaous extinctions. All genera in the data base were compared with Sepkoski's compendium of time ranges of genera to determine which of the reported genera survived the Cretaceous mass extinction. In turn, extinction rates for the ten-degree, latitude-longitude blocks were mapped. The resulting distribution is readily interpretable as a robust pattern of the geography of the mass extinction. The study demonstrates that a low-quality data base, built rapidly, can provide a basis for meaningful analysis of past biotic events.

Raup, D. M.↗

X-ray substructure in A1656 and A2256

We report the confirmation of X-ray substructure in two rich clusters of galaxies, A1656 (Coma) and A2256. Using data from the Einstein Observatory imaging proportional counter, we present a technique of fitting the cluster profile and searching for contributions to the X-ray emission from small regions within the cluster. Using this method we find substructure in both A1656 and A2256 while simultaneously fitting the cluster profile. We obtain the ellipticity and position angle of both clusters as a function of radius and find that both have ellipticity and position angles which vary with radius. We interpret the existence of substructure along with the variable ellipticity and position angle as evidence for a recent merger in both of these clusters.

Davis, David S.↗