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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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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Ray Tracing Techniques for the Characterization of Lunar Communication Architectures

This paper provides an overview of the computational techniques used to characterize the viability of different lunar architectures and their ability to provide communication services to the lunar surface. This analysis was done with modern ray tracing techniques that allow for the computations to be done on Graphics Processing Unit (GPU) clusters for a high level of parallelism and severe reduction in computation time. The ray tracing computations were done with the GPU platform Compute Unified Device Architecture (CUDA) provided by NVIDIA which utilizes general-purpose computing on graphics processing units (GPGPU). This new method provides the advantage of being able to characterize a much larger portion of the lunar surface due to its computational efficiency as well as providing a more accurate representation of elevation angle limits instead of the typical and often inaccurate elevation angle mask. The Lunar surface can now be characterized with metrics such as contact time, outage time, and received data rate. With these metrics, different proposed Lunar architectures can be rapidly evaluated. This reduction in computation time not only leads to more accurate results but allows these results to be obtained in a time frame that allows for the complete characterization of the trade space. It is expected that these different architecture comparisons will lead to a conclusive determination of the optimal Lunar architecture and will allow for future Lunar missions to operate as close to real time as possible. In addition, this computation method can be used to recreate visibility figures generated by previous methods but with an increased level of accuracy.

Thomas Montano↗
NASA NTRS1992

An accurate ab initio quartic force field for ammonia

The quartic force field of ammonia is computed using basis sets of spdf/spd and spdfg/spdf quality and an augmented coupled cluster method. After correcting for Fermi resonance, the computed fundamentals and nu 4 overtones agree on average to better than 3/cm with the experimental ones except for nu 2. The discrepancy for nu 2 is principally due to higher-order anharmonicity effects. The computed omega 1, omega 3, and omega 4 confirm the recent experimental determination by Lehmann and Coy (1988) but are associated with smaller error bars. The discrepancy between the computed and experimental omega 2 is far outside the expected error range, which is also attributed to higher-order anharmonicity effects not accounted for in the experimental determination. Spectroscopic constants are predicted for a number of symmetric and asymmetric top isotopomers of NH3.

Martin, J. M. L.↗
DOE OSTI2023

Impact of Disorder and Defects on Bond Energies in Highly Fluorinated Graphene

Fluorinated graphite materials are of interest for an assortment of applications and can be synthesized under a variety of synthetic conditions from many different types of carbon. Due to such variations, structural disorders in the form of defects and polymorphism are often present. Here, we investigate the impact of local structural variations on the C–F bond dissociation energies (BDEs) in carbon-based fluoride materials using density functional theory (DFT) computational methods. Employing fluorographene (FG) cluster models, we determine the impact of different C–F bonding configurations in the core of each platelet on the equilibrium BDEs for each C–F bond. The introduction of structural disorder decreases the first C–F BDE by approximately 1 eV compared to the canonical arrangement of axial C–F bonds ordered as in a network of cyclohexane “chairs”. Variability of calculated BDEs among the different polymorphs decreases upon subsequent F removal. Common structural tendencies of the adiabatic defluorination pathways for each polymorph are identified. In conclusion, our analysis suggests that at F/C ratios near 1.0, disorder in the local structure can play a significant role in the energetics of the initial carbon fluoride defluorination and that the influence of this configurational disorder diminishes with decreasing F/C ratios.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Fermi–Löwdin orbital self-interaction correction of adsorption energies on transition metal ions

Density functional theory (DFT)-based descriptions of the adsorption of small molecules on transition metal ions are prone to self-interaction errors. Here, we show that such errors lead to a large over-estimation of adsorption energies of small molecules on Cu + , Zn + , Zn 2+ , and Mn + in local spin density approximation (LSDA) and Perdew, Burke, Ernzerhof (PBE) generalized gradient approximation calculations compared to reference values computed using the coupled-cluster with single, doubles, and perturbative triple excitations method. These errors are significantly reduced by removing self-interaction using the Perdew–Zunger self-interaction correction (PZ-SIC) in the Fermi–Löwdin Orbital (FLO) SIC framework. In the case of FLO-PBE, typical errors are reduced to less than 0.1 eV. Furthermore, analysis of the results using DFT energies evaluated on self-interaction-corrected densities [DFT(@FLO)] indicates that the density-driven contributions to the FLO-DFT adsorption energy corrections are roughly the same size in DFT = LSDA and PBE, but the total corrections due to removing self-interaction are larger in LSDA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Ab initio coupled-cluster calculations of ground and dipole excited states in He 8

We perform coupled-cluster calculations of ground- and dipole excited-state properties of the 8 He halo nucleus with nucleon-nucleon and three-nucleon interactions from chiral effective field theory, both with and without explicit delta degrees of freedom. By increasing the precision in our coupled-cluster calculations via the inclusion of leading-order three-particle three-hole excitations in the cluster operator, we obtain a ground-state energy and a charge radius that are consistent with experiment, albeit with a slight underbinding. We also investigate the excited states induced by the electric dipole operator and present a discussion on the Thomas-Reiche-Kuhn and cluster sum rules. Lastly, we compute the electric dipole polarizability, providing a theoretical benchmark for future experimental determinations that will study this exotic nucleus.

6 ≤ A ≤ 19↗
NASA NTRS1972

The composite sequential clustering technique for analysis of multispectral scanner data

The clustering technique consists of two parts: (1) a sequential statistical clustering which is essentially a sequential variance analysis, and (2) a generalized K-means clustering. In this composite clustering technique, the output of (1) is a set of initial clusters which are input to (2) for further improvement by an iterative scheme. This unsupervised composite technique was employed for automatic classification of two sets of remote multispectral earth resource observations. The classification accuracy by the unsupervised technique is found to be comparable to that by traditional supervised maximum likelihood classification techniques. The mathematical algorithms for the composite sequential clustering program and a detailed computer program description with job setup are given.

Su, M. Y.↗
NASA NTRS1976

Study of systems and techniques for data base management

Data management areas were studied to identify pertinent problems and issues that will affect future NASA data users in terms of performance and cost. Specific topics discussed include the identifications of potential NASA data users other than those normally discussed, consideration affecting the clustering of minicomputers, low cost computer system for information retrieval and analysis, the testing of minicomputer based data base management systems, ongoing work related to the use of dedicated systems for data base management, and the problems of data interchange among a community of NASA data users.

Source record↗
NASA NTRS1992

The fuzzy C spherical shells algorithm - A new approach

The fuzzy c spherical shells (FCSS) algorithm is specially designed to search for clusters that can be described by circular arcs or, more generally, by shells of hyperspheres. In this paper, a new approach to the FCSS algorithm is presented. This algorithm is computationally and implementationally simpler than other clustering algorithms that have been suggested for this purpose. An unsupervised algorithm which automatically finds the optimum number of clusters is also proposed. This algorithm can be used when the number of clusters is not known. It uses a cluster validity measure to identify good clusters, merges all compatible clusters, and eliminates spurious clusters to achieve the final result. Experimental results on several data sets are presented.

Krishnapuram, Raghu↗
NASA NTRS1992

A comparison of neural network and fuzzy clustering techniques in segmenting magnetic resonance images of the brain

Magnetic resonance (MR) brain section images are segmented and then synthetically colored to give visual representations of the original data with three approaches: the literal and approximate fuzzy c-means unsupervised clustering algorithms and a supervised computational neural network, a dynamic multilayered perception trained with the cascade correlation learning algorithm. Initial clinical results are presented on both normal volunteers and selected patients with brain tumors surrounded by edema. Supervised and unsupervised segmentation techniques provide broadly similar results. Unsupervised fuzzy algorithms were visually observed to show better segmentation when compared with raw image data for volunteer studies. However, for a more complex segmentation problem with tumor/edema or cerebrospinal fluid boundary, where the tissues have similar MR relaxation behavior, inconsistency in rating among experts was observed.

Hall, Lawrence O.↗
NASA NTRS2000

Climate Ocean Modeling on a Beowulf Class System

With the growing power and shrinking cost of personal computers. the availability of fast ethernet interconnections, and public domain software packages, it is now possible to combine them to build desktop parallel computers (named Beowulf or PC clusters) at a fraction of what it would cost to buy systems of comparable power front supercomputer companies. This led as to build and assemble our own sys tem. specifically for climate ocean modeling. In this article, we present our experience with such a system, discuss its network performance, and provide some performance comparison data with both HP SPP2000 and Cray T3E for an ocean Model used in present-day oceanographic research.

Cheng, B. N.↗
NASA NTRS2004

TopMaker: A Technique for Automatic Multi-Block Topology Generation Using the Medial Axis

A two-dimensional multi-block topology generation technique has been developed. Very general configurations are addressable by the technique. A configuration is defined by a collection of non-intersecting closed curves, which will be referred to as loops. More than a single loop implies that holes exist in the domain, which poses no problem. This technique requires only the medial vertices and the touch points that define each vertex. From the information about the medial vertices, the connectivity between medial vertices is generated. The physical shape of the medial edge is not required. By applying a few simple rules to each medial edge, the multiblock topology is generated with no user intervention required. The resulting topologies contain only the level of complexity dictated by the configurations. Grid lines remain attached to the boundary except at sharp concave turns where a change in index family is introduced as would be desired. Keeping grid lines attached to the boundary is especially important in the area of computational fluid dynamics where highly clustered grids are used near no-slip boundaries. This technique is simple and robust and can easily be incorporated into the overall grid generation process.

Heidmann, James D.↗
NASA NTRS2004

TopMaker: Technique Developed for Automatic Multiblock Topology Generation Using the Medial Axis

The TopMaker technique was developed in an effort to reduce the time required for grid generation in complex numerical studies. Topology generation accounts for much of the man-hours required for structured multiblock grids. With regard to structured multiblock grids, topology refers to how the blocks are arranged and connected. A two-dimensional multiblock topology generation technique has been developed at the NASA Glenn Research Center. Very general configurations can be addressed by the technique. A configuration is defined by a collection of non-intersecting closed curves, which will be referred to as loops. More than a single loop implies that holes exist in the domain, which poses no problem. This technique requires only the medial vertices and the touch points that define each vertex. From the information about the medial vertices, the connectivity between medial vertices is generated. The physical shape of the medial edge is not required. By applying a few simple rules to each medial edge, a multiblock topology can be generated without user intervention. The resulting topologies contain only the level of complexity dictated by the configurations. Grid lines remain attached to the boundary except at sharp concave turns, where a change in index family is introduced as would be desired. Keeping grid lines attached to the boundary is especially important in computational fluid dynamics, where highly clustered grids are used near no-slip boundaries. This technique is simple and robust and can easily be incorporated into the overall grid-generation process.

Rigby, David L.↗
NASA NTRS2014

Dynamic Airspace Configuration

In air traffic management systems, airspace is partitioned into regions in part to distribute the tasks associated with managing air traffic among different systems and people. These regions, as well as the systems and people allocated to each, are changed dynamically so that air traffic can be safely and efficiently managed. It is expected that new air traffic control systems will enable greater flexibility in how airspace is partitioned and how resources are allocated to airspace regions. In this talk, I will begin by providing an overview of some previous work and open questions in Dynamic Airspace Configuration research, which is concerned with how to partition airspace and assign resources to regions of airspace. For example, I will introduce airspace partitioning algorithms based on clustering, integer programming optimization, and computational geometry. I will conclude by discussing the development of a tablet-based tool that is intended to help air traffic controller supervisors configure airspace and controllers in current operations.

airspace↗
NASA NTRS2019

Cluster Analysis of Spectroscopic Line Profiles and EUV Emission in RMHD Simulations and Observations of the Solar Atmosphere

Spatially-resolved observations from the IRIS, SDO/AIA, and other space mission and ground-based telescopes, coupled with realistic 3D RMHD simulations, are a powerful tool for analysis of processes in the solar atmosphere. To better understand the dynamical and thermodynamic properties in the simulation data and their connection to observations, it is essential to determine similarities in the behaviors of the synthesized and observed emission. However, the complexity of observational data and physical processes makes comparison of observations and modeling results difficult. In this work, we show the initial results of application of K-Means clustering (unsupervised machine learning) algorithm to two different problems: 1) recognition of the typical spectroscopic line profiles observed by IRIS during solar flares and their typical dynamic behavior; 2) recognition of shocks and heating events in synthetic AIA emission data obtained from StellarBox quiet-Sun simulations. The average silhouette width technique for the KMeans algorithm is utilized in different ways to obtain optimal numbers of clusters. We discuss application of the emission clustering to visualizations of the computational volume, understanding its evolutionary trends and behavior patterns, and inversion (reconstruction) of physical properties of the solar atmosphere from synthesizes emission data.

Sadykov, Viacheslav↗
NASA NTRS2022

Observational Signatures of Coronal Heating in Magnetohydrodynamic Simulations without Radiation or a Lower Atmosphere

It is extremely difficult to simulate the details of coronal heating and also make meaningful predictions of the emitted radiation. Thus, testing realistic models with observations is a major challenge. Observational signatures of coronal heating depend crucially on radiation, thermal conduction, and the exchange of mass and energy with the transition region and chromosphere below. Many magnetohydrodynamic simulation studies do not include these effects, opting instead to devote computational resources to the magnetic aspects of the problem. We have developed a simple method of accounting approximately for the missing effects. It is applied to the simulation output ex post facto and therefore may be a valuable tool for many studies. We have used it to predict the emission from a model corona that is driven by vortical boundary motions meant to represent photospheric convection. We find that individual magnetic strands experience short-term brightenings, both scattered throughout the computational volume and in localized clusters. The former may explain the diffuse component of the observed corona, while the latter may explain bright coronal loops. Several observed properties of loops are reproduced reasonably well: width, lifetime, and quasi-circular cross section (aspect ratio not high). Our results lend support to the idea that loops are multistranded structures heated by "storms" of nanoflares.

James A. Klimchuk↗
NASA NTRS1989

Report from magnetospheric science

By the early 1990s, magnetospheric physics will have progressed primarily through observations made from Explorer-class spacecraft, sounding rockets, ground based facilities, and shuttle based experiments. The global geospace science (GGS) element of the International Solar Terrestrial Physics program, when combined with contributions to the ESA Cluster mission and ground based and computer modeling programs, will form the basis for a major U.S. initiative in magnetospheric physics. The scientific objectives of the GGS program involve the study of energy transport throughout geospace. The Cluster mission will investigate turbulence and boundary phenomena in geospace, particularly at high latitudes on the dayside and in the region of the neutral sheet at geocentric distances of about 20 earth radii on the night side of the earth. The current state of knowledge is reviewed and the goals of these missions are briefly discussed.

Burch, J. L.↗
NASA NTRS1975

Computer-aided analysis of Landsat-1 MSS data - A comparison of three approaches, including a 'modified clustering' approach

Three approaches for analyzing Landsat-1 data from Ludwig Mountain in the San Juan Mountain range in Colorado are considered. In the 'supervised' approach the analyst selects areas of known spectral cover types and specifies these to the computer as training fields. Statistics are obtained for each cover type category and the data are classified. Such classifications are called 'supervised' because the analyst has defined specific areas of known cover types. The second approach uses a clustering algorithm which divides the entire training area into a number of spectrally distinct classes. Because the analyst need not define particular portions of the data for use but has only to specify the number of spectral classes into which the data is to be divided, this classification is called 'nonsupervised'. A hybrid method which selects training areas of known cover type but then uses the clustering algorithm to refine the data into a number of unimodal spectral classes is called the 'modified-supervised' approach.

Fleming, M. D.↗