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At least 1,135 records · Page 63

A Virtual Aluminum Reduction Cell

The most important component in the aluminum industry is the aluminum reduction cell; it has received considerable interests and resources to conduct research to improve its productivity and energy efficiency. Currently, we focus on the integration of numerical simulation data and virtual reality technology to create a scientifically and practically realistic virtual aluminum reduction cell by presenting complex cell structures and physical–chemical phenomena. The multiphysical field simulation models were first built and solved in ANSYS software (ANSYS Inc., Canonsburg, PA, USA). Then, the methodology of combining the simulation results with virtual reality was introduced, and a virtual aluminum reduction cell was created. Our demonstration showed that a computer-based world could be created in which people who are not analysis experts can see the detailed cell structure in a context that they can understand easily. With the application of the virtual aluminum reduction cell, even people who are familiar with aluminum reduction cell operations can gain insights that make it possible to understand the root causes of observed problems and plan design changes in much less time.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Cumulative Spatial Impact Layers: A Novel Multivariate Spatio-Temporal Analytical Summarization Tool

Scientific inquiry often requires analysis of multiple spatio-temporal datasets, ranging in type and size, using complex multi-step processes demanding an understanding of GIS theory and software. Cumulative Spatial Impact Layers (CSIL) is a GIS-based tool that summarizes spatio-temporal datasets based on overlapping features and attributes. Leveraging a recursive quadtree method, and applying multiple additive frameworks, the CSIL tool allows users to analyze raster and vector datasets by calculating data, record, or attribute density. Providing an efficient and robust method for summarizing disparate, multi-format, multi-source geospatial data, CSIL addresses the need for a new integration approach and resulting geospatial product. The built-in flexibility of the CSIL tool allows users to answer a range of spatially-driven questions. Example applications are provided in this paper to illustrate the versatility and variety of uses for this CSIL tool and method. Use cases include addressing regulatory decision-making needs, economic modeling, and resource management. Performance reviews for each use case are also presented, demonstrating how CSILs provides a more efficient and robust approach to assess a range of multivariate spatial data for a variety of uses.

58 GEOSCIENCES↗

Application Experiences on a GPU-Accelerated Arm-based HPC Testbed

This paper assesses and reports the experience of ten teams working to port, validate, and benchmark several High Performance Computing applications on a novel GPU-accelerated Arm testbed system. The testbed consists of eight NVIDIA Arm HPC Developer Kit systems, each one equipped with a server-class Arm CPU from Ampere Computing and two data center GPUs from NVIDIA Corp. The systems are connected together using InfiniBand interconnect. The selected applications and mini-apps are written using several programming languages and use multiple accelerator-based programming models for GPUs such as CUDA, OpenACC, and OpenMP offloading. Working on application porting requires a robust and easy-to-access programming environment, including a variety of compilers and optimized scientific libraries. The goal of this work is to evaluate platform readiness and assess the effort required from developers to deploy well-established scientific workloads on current and future generation Arm-based GPU-accelerated HPC systems. The reported case studies demonstrate that the current level of maturity and diversity of software and tools is already adequate for large-scale production deployments.

Elwasif, Wael↗

Magellan mission planning and orbital operations

The goal of NASA's Magellan mission is to understand the geological and geophysical processes that have shaped the planet Venus. Through synthetic aperture radar, radiometric, altimetric, and gravity measurements, the scientific community hopes to improve its knowledge of the planet's topography and internal mass distribution. This paper provides an overview of the Magellan mission; describes the spacecraft sequence software design, development, and test; addresses the nominal operational flow of stored sequence design and generation; briefly describes the ground processing of engineering telemetry and imaging data; and then summarizes the Magellan operational experience with non-routine behavior of the spacecraft during the cruise and mapping portions of the prime mission.

Venus↗

Design decisions from the history of the EUVE science payload

Some of the design issues that arose during the development of the EUVE science payload and solutions to the problems involved are examined. In particular, attention is given to the use of parallel and serial busses, the selection of the the ROM approach for software storage and execution, implementation of memory error detection and correction, and the selection of command structures. The early design decisions paid off in the timely delivery of the scientific payload and in the successful completion of the survey phase of the EUVE science mission.

Marchant, W.↗

Review and analysis of dense linear system solver package for distributed memory machines

A dense linear system solver package recently developed at the University of Texas at Austin for distributed memory machine (e.g. Intel Paragon) has been reviewed and analyzed. The package contains about 45 software routines, some written in FORTRAN, and some in C-language, and forms the basis for parallel/distributed solutions of systems of linear equations encountered in many problems of scientific and engineering nature. The package, being studied by the Computer Applications Branch of the Analysis and Computation Division, may provide a significant computational resource for NASA scientists and engineers in parallel/distributed computing. Since the package is new and not well tested or documented, many of its underlying concepts and implementations were unclear; our task was to review, analyze, and critique the package as a step in the process that will enable scientists and engineers to apply it to the solution of their problems. All routines in the package were reviewed and analyzed. Underlying theory or concepts which exist in the form of published papers or technical reports, or memos, were either obtained from the author, or from the scientific literature; and general algorithms, explanations, examples, and critiques have been provided to explain the workings of these programs. Wherever the things were still unclear, communications were made with the developer (author), either by telephone or by electronic mail, to understand the workings of the routines. Whenever possible, tests were made to verify the concepts and logic employed in their implementations. A detailed report is being separately documented to explain the workings of these routines.

Narang, H. N.↗

A distributed analysis and visualization system for model and observational data

Software was developed with NASA support to aid in the analysis and display of the massive amounts of data generated from satellites, observational field programs, and from model simulations. This software was developed in the context of the PATHFINDER (Probing ATmospHeric Flows in an Interactive and Distributed EnviRonment) Project. The overall aim of this project is to create a flexible, modular, and distributed environment for data handling, modeling simulations, data analysis, and visualization of atmospheric and fluid flows. Software completed with NASA support includes GEMPAK analysis, data handling, and display modules for which collaborators at NASA had primary responsibility, and prototype software modules for three-dimensional interactive and distributed control and display as well as data handling, for which NSCA was responsible. Overall process control was handled through a scientific and visualization application builder from Silicon Graphics known as the Iris Explorer. In addition, the GEMPAK related work (GEMVIS) was also ported to the Advanced Visualization System (AVS) application builder. Many modules were developed to enhance those already available in Iris Explorer including HDF file support, improved visualization and display, simple lattice math, and the handling of metadata through development of a new grid datatype. Complete source and runtime binaries along with on-line documentation is available via the World Wide Web at: http://redrock.ncsa.uiuc.edu/ PATHFINDER/pathre12/top/top.html.

Wilhelmson, Robert B.↗

Navigating the Airways

Through a licensing agreement with JPL, Hughes Aircraft Company is using the Jet Propulsion Laboratory's (JPL) software GIPSY-OASIS for implementation of the Federal Aviation Administration's Wide Area Augmentation System (WAAS). WAAS will provide precision navigation for commercial airliners in U.S. airspace. JPL's GIPSY-OASIS (GIPSY - GPS-Inferred Positioning System; OASIS - Orbit Analysis and Simulation Software) has been used world-wide to produce the most accurate Global Positioning System (GPS) ephemeredes (satellite position) solutions ever achieved for ground and space users, both in scientific and commercial applications.

Source record↗

Space Station Freedom Central Thermal Control System Evolution

The objective of the evolution study is to review the proposed growth scenarios for Space Station Freedom and identify the major CTCS hardware scars and software hooks required to facilitate planned growth and technology obsolescence. The Station's two leading evolutionary configurations are: (1) the Research and Development node, where the fundamental mission is scientific research and commercial endeavors, and (2) the Transportation node, where the emphasis is on supporting Lunar and Mars human exploration. These two nodes evolve from the from the assembly complete configuration by the addition of manned modules, pocket labs, resource nodes, attached payloads, customer servicing facility, and an upper and lower keel and boom truss structure. In the case of the R & D node, the role of the dual keel will be to support external payloads for scientific research. In the case of the Transportation node, the keel will support the Lunar (LTV) and Mars (MTV) transportation vehicle service facilities In addition to external payloads. The transverse boom is extended outboard of the alpha gimbal to accommodate the new solar dynamic arrays for power generation, which will supplement the photovoltaic system. The design, development, deployment, and operation of SSF will take place over a 30 year time period and new Innovations and maturation in technologies can be expected. Evolutionary planning must include the obsolescence and insertion of the new technologies over the life of the program, and the technology growth issues must be addressed in parallel with the development of the baseline thermal control system. Technologies that mature and are available within the next 10 years are best suited for evolutionary consideration as the growth phase begins in the year 2000. To increase TCS capability to accommodate growth using baseline technology would require some penalty in mass, volume, EVA time, manifesting, and operational support. To be cost effective the capabilities of the heat acquisition, transport, and rejection subsystems must be increased.

Bullock, Richard↗

Mars Exploration Rover - a new standard for interplanetary navigation

The twin Mars Exploration Rovers, Spirit and Opportunity, arrived at Mars for landings respectively at Gusev Crater (on January 4, 2004) and Meridiani Planum (on January 25, 2004). During the development of the mission, the capability of the navigation system to deliver the landers within a particular accuracy played a major role in landing site selection. This process ultimately resulted in commitments to deliver each lander within a specified landing ellipse (about 70 km x 5 km) determined to be safe for landing and also judged to be scientifically interesting. Achieving atmospheric entry delivery accuracies consistent with this landing requirement necessitated significant improvements to the interplanetary navigation system used for MER. These improvements included new processes and software for orbit determination, aggressive, mission-critical use of interferometric ADOR tracking data, propulsive maneuver design, and entry, descent, and landing (EDL) trajectory simulation. Because these advances pressed the state -of -the art, innovative methods to verify the assumptions in the pre-launch covariance analyses were also developed. The actual achieved atmospheric entry accuracies for Spirit and Opportunity significantly bettered the requirements.

navigation↗

A Comprehensive Plan for the Long-Term Calibration and Validation of Oceanic Biogeochemical Satellite Data

The primary objective of this planning document is to establish a long-term capability and validating oceanic biogeochemical satellite data. It is a pragmatic solution to a practical problem based primarily o the lessons learned from prior satellite missions. All of the plan's elements are seen to be interdependent, so a horizontal organizational scheme is anticipated wherein the overall leadership comes from the NASA Ocean Biology and Biogeochemistry (OBB) Program Manager and the entire enterprise is split into two components of equal sature: calibration and validation plus satellite data processing. The detailed elements of the activity are based on the basic tasks of the two main components plus the current objectives of the Carbon Cycle and Ecosystems Roadmap. The former is distinguished by an internal core set of responsibilities and the latter is facilitated through an external connecting-core ring of competed or contracted activities. The core elements for the calibration and validation component include a) publish protocols and performance metrics; b) verify uncertainty budgets; c) manage the development and evaluation of instrumentation; and d) coordinate international partnerships. The core elements for the satellite data processing component are e) process and reprocess multisensor data; f) acquire, distribute, and archive data products; and g) implement new data products. Both components have shared responsibilities for initializing and temporally monitoring satellite calibration. Connecting-core elements include (but are not restricted to) atmospheric correction and characterization, standards and traceability, instrument and analysis round robins, field campaigns and vicarious calibration sites, in situ database, bio-optical algorithm (and product) validation, satellite characterization and vicarious calibration, and image processing software. The plan also includes an accountability process, creating a Calibration and Validation Team (to help manage the activity), and a discussion of issues associated with the plan's scientific focus.

Hooker, Stanford B.↗

The NASA/AFRL Meter Class Autonomous Telescope

For the past decade, the NASA Orbital Debris Program Office (ODPO) has relied on using various ground-based telescopes in Chile to acquire statistical survey data as well as photometric and spectroscopic data of orbital debris in geosynchronous Earth orbit (GEO). The statistical survey data have been used to supply the Orbital Debris Engineering Model (ORDEM) v.3.0 with debris detections in GEO to better model the environment at altitudes where radar detections are limited. The data produced for the statistical survey ranged from 30 to 40 nights per year, which only accounted for ~10% of the possible observing time. Data collection was restricted by ODPO resources and weather conditions. In order to improve the statistical sampling in GEO, as well as observe and sample other orbits, NASA's ODPO with support from the Air Force Research Laboratory (AFRL), has constructed a new observatory dedicated to orbital debris - the Meter Class Autonomous Telescope (MCAT) on Ascension Island. This location provides MCAT with the unique ability to access targets orbiting at an altitude of less than 1,000 km and low inclinations (< 20 deg). This orbital regime currently has little to no coverage by the U.S. Space Surveillance Network. Unlike previous ODPO optical assets, the ability to operate autonomously will allow rapid response observations of break-up events, an observing mode that was only available via radar tasking prior to MCAT's deployment. The primary goal of MCAT is to statistically characterize GEO via daily tasking files uploaded from ODPO. These tasking files define which operating mode to follow, providing the field center, rates, and/or targets to observe over the entire observing period. The system is also capable of tracking fast-moving targets in low Earth orbit (LEO), middle Earth orbit (MEO), as well as highly eccentric orbits like geostationary transfer orbits. On 25 August 2015, MCAT successfully acquired scientific first light, imaging the Bug Nebula and tracked objects in LEO, MEO, and GEO. NASA is working towards characterizing the system and thoroughly testing the integrated hardware and software control to achieve fully autonomous operations by late 2016. This paper will review the history and current status of the MCAT project, the details of the telescope system, and its five currently manifested operating modes.

Cowardin, H.↗

Web-Based Geographic Information System Tool for Accessing Hanford Site Environmental Data

Data volume, complexity, and access issues pose severe challenges for analysts, regulators and stakeholders attempting to efficiently use legacy data to support decision making at the U.S. Department of Energy’s (DOE) Hanford Site. DOE has partnered with the Pacific Northwest National Laboratory (PNNL) on the PHOENIX (PNNL-Hanford Online Environmental Information System) project, which seeks to address data access, transparency, and integration challenges at Hanford to provide effective decision support. PHOENIX is a family of spatially-enabled web applications providing quick access to decades of valuable scientific data and insight through intuitive query, visualization, and analysis tools. PHOENIX realizes broad, public accessibility by relying only on ubiquitous web-browsers, eliminating the need for specialized software. It accommodates a wide range of users with intuitive user interfaces that require little or no training to quickly obtain and visualize data. Currently, PHOENIX is actively hosting three applications focused on groundwater monitoring, groundwater clean-up performance reporting, and in-tank monitoring. PHOENIX-based applications are being used to streamline investigative and analytical processes at Hanford, saving time and money. But more importantly, by integrating previously isolated datasets and developing relevant visualization and analysis tools, PHOENIX applications are enabling DOE to discover new correlations hidden in legacy data, allowing them to more effectively address complex issues at Hanford.

decision support↗

Scalable Data Management, Analysis, and Visualization

This report is the entire final report for the SciDAC project authored by the whole team. OSU is part of the contributors to the report. This report is organized into sections and subsections, each covering an area of development and deployment of technologies applied to scientific applications of interest to the Department of Energy. Each sub-section includes: 1) a summary description of the research, development, and deployment carried out, the results and the extent to which the stated project objectives were met; 2) significant results, including major findings, developments, or conclusions; 3) products, such as publications and presentations, software developed, project website(s), technologies or techniques, inventions, awards, etc., and 4) conclusions of the projects and future directions for research, development, and deployment in this technology area.

97 MATHEMATICS AND COMPUTING↗

Software agents for the dissemination of remote terrestrial sensing data

Remote terrestrial sensing (RTS) data is constantly being collected from a variety of space-based and earth-based sensors. The collected data, and especially 'value-added' analyses of the data, are finding growing application for commercial, government, and scientific purposes. The scale of this data collection and analysis is truly enormous; e.g., by 1995, the amount of data available in just one sector, NASA space science, will reach 5 petabytes. Moreover, the amount of data, and the value of analyzing the data, are expected to increase dramatically as new satellites and sensors become available (e.g., NASA's Earth Observing System satellites). Lockheed and other companies are beginning to provide data and analysis commercially. A critical issue for the exploitation of collected data is the dissemination of data and value-added analyses to a diverse and widely distributed customer base. Customers must be able to use their computational environment (eventually the National Information Infrastructure) to obtain timely and complete information, without having to know the details of where the relevant data resides and how it is accessed. Customers must be able to routinely use standard, widely available (and, therefore, low cost) analyses, while also being able to readily create on demand highly customized analyses to make crucial decisions. The diversity of user needs creates a difficult software problem: how can users easily state their needs, while the computational environment assumes the responsibility of finding (or creating) relevant information, and then delivering the results in a form that users understand? A software agent is a self-contained, active software module that contains an explicit representation of its operational knowledge. This explicit representation allows agents to examine their own capabilities in order to modify their goals to meet changing needs and to take advantage of dynamic opportunities. In addition, the explicit representation allows agents to advertize their capabilities and results to other agents, thereby allowing the collection of agents to reuse each others work.

Toomey, Christopher N.↗

A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25-100 Logical Qubits

The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource requirements for simulating quantum systems, quantum chemistry has long been recognized as a natural candidate for quantum computation. This perspective focuses on identifying scientifically meaningful use cases where early fault-tolerant quantum computers, which are considered to be equipped with approximately 25-100 logical qubits, could deliver tangible impact. While recent advances in classical computing have pushed the boundaries of tractable simulations to unprecedented scales, this logical-qubit regime represents the first window where quantum devices can pursue qualitatively distinct strategies, such as polynomial-scaling phase estimation, direct simulation of quantum dynamics, and active-space embedding, that remain challenging for classical solvers, such as multireference charge-transfer and conical-intersection states central to photochemistry and materials design. We highlight near-term opportunities in algorithm and software design, discuss representative chemical problems suited for quantum acceleration, and propose strategic roadmaps and collaborative pathways for advancing practical quantum utility in quantum chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Jupyter notebooks for analyzing transmission SAXS/WAXS from beamline 7.3.3 during operando membrane fouling experiments v1.0

This software consists of python-based Jupyter Notebooks for processing transmission x-ray scattering images collected at beamline 7.3.3 at the Advanced Light Source. The measurements considered in these analyses are collected during membrane fouling experiments, where contaminants in the water deposit on/attach to the membrane surface. This software is used to elucidate the mechanisms of membrane fouling that occur during these operando membrane fouling experiments, but the analyses provided in these scripts can be extended to other scientific cases.

Landsman, Matthew [Lawrence Berkeley National Labo↗

Basic Energy Sciences Exascale Requirements Review. An Office of Science review sponsored jointly by Advanced Scientific Computing Research and Basic Energy Sciences, November 3-5, 2015, Rockville, Maryland

Computers have revolutionized every aspect of our lives. Yet in science, the most tantalizing applications of computing lie just beyond our reach. The current quest to build an exascale computer with one thousand times the capability of today’s fastest machines (and more than a million times that of a laptop) will take researchers over the next horizon. The field of materials, chemical reactions, and compounds is inherently complex. Imagine millions of new materials with new functionalities waiting to be discovered — while researchers also seek to extend those materials that are known to a dizzying number of new forms. We could translate massive amounts of data from high precision experiments into new understanding through data mining and analysis. We could have at our disposal the ability to predict the properties of these materials, to follow their transformations during reactions on an atom-by-atom basis, and to discover completely new chemical pathways or physical states of matter. Extending these predictions from the nanoscale to the mesoscale, from the ultrafast world of reactions to long-time simulations to predict the lifetime performance of materials, and to the discovery of new materials and processes will have a profound impact on energy technology. In addition, discovery of new materials is vital to move computing beyond Moore’s law. To realize this vision, more than hardware is needed. New algorithms to take advantage of the increase in computing power, new programming paradigms, and new ways of mining massive data sets are needed as well. This report summarizes the opportunities and the requisite computing ecosystem needed to realize the potential before us. In addition to pursuing new and more complete physical models and theoretical frameworks, this review found that the following broadly grouped areas relevant to the U.S. Department of Energy (DOE) Office of Advanced Scientific Computing Research (ASCR) would directly affect the Basic Energy Sciences (BES) mission need. Simulation, visualization, and data analysis are crucial for advances in energy science and technology. Revolutionary mathematical, software, and algorithm developments are required in all areas of BES science to take advantage of exascale computing architectures and to meet data analysis, management, and workflow needs. In partnership with ASCR, BES has an emerging and pressing need to develop new and disruptive capabilities in data science. More capable and larger high-performance computing (HPC) and data ecosystems are required to support priority research in BES. Continued success in BES research requires developing the next-generation workforce through education and training and by providing sustained career opportunities.

97 MATHEMATICS AND COMPUTING↗