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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
DOE OSTI2019

Collaborative Research: Performance Retargeting of Instrumentation, Measurement, and Analysis Technologies for Exascale Computing: the PRIMA-X Project -- Final Technical Report

The PRIMA-X (Performance Retargeting of Instrumentation, Measurement, and Analysis Technologies for Exascale Computing) project was a collaborative research effort between the University of Oregon (UO) (Malony, PI) and the German Research School for Simulation Sciences GmbH (Wolf, PI) originally, later changed to the Technical University of Darmstadt. Our project aims addressed five areas -- scalability, dynamism, heterogeneity, locality, energy -- that present challenges to performance measurement systems at exascale, with emphasis placed on the first three. In essence, the general goal of the project was to prototype new technologies for performance measurement, analysis, and tuning on future exascale-enable computer systems. Each institution followed its research agena, with periodic coordination and sharing of ideas and results. After the 3-year funding, the PRIMA-X grant was extended beyond the 3-year period at no cost until the end of August 2018. This is the final technical report on the University of Oregon's progress during the entire project scope. Our main focus was to address the PRIMA-X challenges both through technological advancements in the TAU Performance System and their application, as well as prototypes developed in association with other exascale-directed research efforts (prior to the Exascale Computing Project (ECP)). Progress in Years 1 and 2 are summarized and our achievements in Year 3 (plus the extension) are discussed in more detail. This includes specific efforts on power, runtime systems, and monitoring infrastructure.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

PSI/J: A Portable Interface for Submitting, Monitoring, and Managing Jobs

It is generally desirable for high-performance computing (HPC) applications to be portable between HPC systems, for example to make use of more performant hardware, make effective use of allocations, and to co-locate compute jobs with large datasets. Unfortunately, moving scientific applications between HPC systems is challenging for various reasons, most notably that HPC systems have different HPC schedulers. We introduce PSI/J, a job management abstraction API intended to simplify the construction of software components and applications that are portable over various HPC scheduler implementations. We argue that such a system is both necessary and that no viable alternative currently exists. We analyze similar notable APIs and attempt to determine the factors that influenced their evolution and adoption by the HPC community. We base the design of PSI/J on that analysis. We describe how PSI/J has been integrated in three workflow systems and one application, and also show via experiments that PSI/J imposes minimal overhead.

Hategan, Mihael↗
DOE OSTI2024

Position Papers for the 2024 ASCR Workshop on Analog Computing for Science

Analog computing capabilities have existed since the dawn of science, but modern techniques potentially allow for the construction, verification, and characterization of complicated analog computing systems in a wide variety of contexts, from high-performance computational accelerators to nanorobotics and synthetic biology. In short, advances in analog computing can enable the creation of physical systems with complex behaviors that meet sophisticated requirements. Meeting our nation's needs, from needs in computing and modeling, to needs for advanced materials and energy technologies, continues to motivate pursuing novel kinds of complex systems, and thus analog computing techniques, in all of these spaces.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1979

Study on the application of NASA energy management techniques for control of a terrestrial solar water heating system

This paper addresses the potential for enhanced solar system performance through sophisticated control of the collector loop flow rate. Computer simulations utilizing the TRNSYS solar energy program were performed to study the relative effect on system performance of eight specific control algorithms. Six of these control algorithms are of the proportional type: two are concave exponentials, two are simple linear functions, and two are convex exponentials. These six functions are typical of what might be expected from future, more advanced, controllers. The other two algorithms are of the on/off type and are thus typical of existing control devices. Results of extensive computer simulations utilizing actual weather data indicate that proportional control does not significantly improve system performance. However, it is shown that thermal stratification in the liquid storage tank may significantly improve performance.

Swanson, T. D.↗
DOE OSTI2025

Predicting runtime and resource utilization of jobs on integrated cloud and HPC systems

Recent advances in virtualization technologies used in cloud computing offer performance that closely approaches bare-metal levels. Combined with specialized instance types and high-speed networking services for cluster computing, cloud platforms have become a compelling option for high-performance computing (HPC). However, most current batch job schedulers in HPC systems are designed for homogeneous clusters and make decisions based on limited information about jobs and system status. Scientists typically submit computational jobs to these schedulers with a requested runtime that is often over- or under-estimated. More accurate runtime predictions can help schedulers make better decisions and reduce job turnaround times. Here, they can also support decisions about migrating jobs to the cloud to avoid long queue wait times in HPC systems.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1977

A flight investigation of a 4D area navigation system concept for STOL aircraft in the terminal area

A digital avionics system referred to as STOLAND was test flown in the NASA CV-340 aircraft to obtain performance data for time controlled guidance in the manual flight director mode. The advanced system components installed in the cockpit included an electronic attitude director indicator and an electronic multifunction display. Navigation guidance and control computations were performed on a digital computer. A detailed 4D area navigation systems description is given. The pilot/system interface and systems operation and performance are also described. Approach flightpaths were flown which included a 180 deg turn and a 1-min, 5 deg straight-in approach to 30 m altitude, at which point go-around was initiated. Results are presented for 19 approaches.

Neuman, F.↗
NASA NTRS1973

Monitoring and control of fuel-cell system by digital computer

The computer was programmed to handle data, perform limit checks, control normal operation, take corrective actions, and initiate shutdown for a fuel-cell system. The system was operated under computer control for periods up to 30 hr. The adequacy of the programming and interfacing techniques used was verified.

Hagedorn, N. H.↗
DOE OSTI2025

ESnet-JLab FPGA Accelerated Transport (control plane) [EJFAT (udplbd2)] v2.0

The ESnet-JLab FPGA Accelerated Transport system is a solution for streaming high-speed scientific measurement data from Data Acquisition Systems (DAQs) to high-performance computing facilties. It is generally compatible with many science workflows, and makes no assumptions about the specifics of any particular experiment. This program (udplbd version 2) implements the control plane for the system. It is responsible for programming network forwarding rules into the data plane (implemented by the hardware designed named udplb, described separately). It also implements the control loop necessary to match up offered workload with available capacity on high-performance compute nodes.

Howard, Derek [Lawrence Berkeley National Laborato↗
NASA NTRS1984

IDEAS: A multidisciplinary computer-aided conceptual design system for spacecraft

During the conceptual development of advanced aerospace vehicles, many compromises must be considered to balance economy and performance of the total system. Subsystem tradeoffs may need to be made in order to satisfy system-sensitive attributes. Due to the increasingly complex nature of aerospace systems, these trade studies have become more difficult and time-consuming to complete and involve interactions of ever-larger numbers of subsystems, components, and performance parameters. The current advances of computer-aided synthesis, modeling and analysis techniques have greatly helped in the evaluation of competing design concepts. Langley Research Center's Space Systems Division is currently engaged in trade studies for a variety of systems which include advanced ground-launched space transportation systems, space-based orbital transfer vehicles, large space antenna concepts and space stations. The need for engineering analysis tools to aid in the rapid synthesis and evaluation of spacecraft has led to the development of the Interactive Design and Evaluation of Advanced Spacecraft (IDEAS) computer-aided design system. The ADEAS system has been used to perform trade studies of competing technologies and requirements in order to pinpoint possible beneficial areas for research and development. IDEAS is presented as a multidisciplinary tool for the analysis of advanced space systems. Capabilities range from model generation and structural and thermal analysis to subsystem synthesis and performance analysis.

Ferebee, M. J., Jr.↗
NASA NTRS1979

Computerized systems analysis and optimization of aircraft engine performance, weight, and life cycle costs

The computational techniques utilized to determine the optimum propulsion systems for future aircraft applications and to identify system tradeoffs and technology requirements are described. The characteristics and use of the following computer codes are discussed: (1) NNEP - a very general cycle analysis code that can assemble an arbitrary matrix fans, turbines, ducts, shafts, etc., into a complete gas turbine engine and compute on- and off-design thermodynamic performance; (2) WATE - a preliminary design procedure for calculating engine weight using the component characteristics determined by NNEP; (3) POD DRG - a table look-up program to calculate wave and friction drag of nacelles; (4) LIFCYC - a computer code developed to calculate life cycle costs of engines based on the output from WATE; and (5) INSTAL - a computer code developed to calculate installation effects, inlet performance and inlet weight. Examples are given to illustrate how these computer techniques can be applied to analyze and optimize propulsion system fuel consumption, weight, and cost for representative types of aircraft and missions.

Fishbach, L. H.↗
DOE OSTI2022

How the Hydrophobic Interface between a Perfluorosulfonic Acid Polymer and Water Vapor Controls Membrane Hydration

Stable hydration in perfluorinated polyelectrolyte membranes such as Nafion is essential to maintain good ion conductivity and manage permeation, especially in vapor-fed devices where water content depends on relative humidity in a gas stream. Extensive studies in the literature have shown that Nafion hydration in water vapor is controlled by its interfacial transport resistance. Nafion forms a fluorine-rich layer at the polymer-gas interface, and it has been proposed that this layer blocks water transport due to its hydrophobicity. To develop a molecular-level description of the physics underlying transport resistance in this system, we have performed a computational reaction-diffusion kinetics study of water evaporation from Nafion. Two distinct models are examined, one mimicking the blocking function proposed in the literature and the other assuming that there is no blocking, treating instead water evaporation as a dynamic balance between uptake from the gas and desorption from the polymer surface. Simulation results are compared to time-dependent infrared data over a range of 100-0% relative humidity from the literature. Only the dynamic model successfully reproduces experimental observations. This indicates that the physical nature of interfacial transport resistance is not slow diffusion across an interfacial layer; rather, it is due to the competition between dehydration and rehydration. The simulation data provide details on the accompanying water distributions throughout the membrane and on interfacial kinetics, showing that they are characterized by strong fluctuations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Baryon magnetic moments: Symmetries and relations

Magnetic moments of the octet baryons are computed using lattice QCD in background magnetic fields, including the first treatment of the magnetically coupled Σ0- Λ system. Although the computations are performed for relatively large values of the up and down quark masses, we gain new insight into the symmetries and relations between magnetic moments by working at a three-flavor mass-symmetric point. While the spinflavor symmetry in the large Nc limit of QCD is shared by the naïve constituent quark model, we find instances where quark model predictions are considerably favored over those emerging in the large Nc limit. We suggest further calculations that would shed light on the curious patterns of baryon magnetic moments.

Parreno, Assumpta↗
DOE OSTI2015

An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units

Despite its importance, state-of-the-art algorithms for performing complete active space self-consistent field (CASSCF) computations have lagged far behind those for single reference methods. We develop an algorithm for the CASSCF orbital optimization that uses sparsity in the atomic orbital (AO) basis set to increase the applicability of CASSCF. Our implementation of this algorithm uses graphical processing units (GPUs) and has allowed us to perform CASSCF computations on molecular systems containing more than one thousand atoms. Additionally, we have implemented analytic gradients of the CASSCF energy; the gradients also benefit from GPU acceleration as well as sparsity in the AO basis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A singly charged ion source for radioactive {sup 11}C ion acceleration

A new singly charged ion source using electron impact ionization has been developed to realize an isotope separation on-line system for simultaneous positron emission tomography imaging and heavy-ion cancer therapy using radioactive {sup 11}C ion beams. Low-energy electron beams are used in the electron impact ion source to produce singly charged ions. Ionization efficiency was calculated in order to decide the geometric parameters of the ion source and to determine the required electron emission current for obtaining high ionization efficiency. Based on these considerations, the singly charged ion source was designed and fabricated. In testing, the fabricated ion source was found to have favorable performance as a singly charged ion source.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Cryogenic molecular separation system for radioactive {sup 11}C ion acceleration

A {sup 11}C molecular production/separation system (CMPS) has been developed as part of an isotope separation on line system for simultaneous positron emission tomography imaging and heavy-ion cancer therapy using radioactive {sup 11}C ion beams. In the ISOL system, {sup 11}CH{sub 4} molecules will be produced by proton irradiation and separated from residual air impurities and impurities produced during the irradiation. The CMPS includes two cryogenic traps to separate specific molecules selectively from impurities by using vapor pressure differences among the molecular species. To investigate the fundamental performance of the CMPS, we performed separation experiments with non-radioactive {sup 12}CH{sub 4} gases, which can simulate the chemical characteristics of {sup 11}CH{sub 4} gases. We investigated the separation of CH{sub 4} molecules from impurities, which will be present as residual gases and are expected to be difficult to separate because the vapor pressure of air molecules is close to that of CH{sub 4}. We determined the collection/separation efficiencies of the CMPS for various amounts of air impurities and found desirable operating conditions for the CMPS to be used as a molecular separation device in our ISOL system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Fixed-target serial crystallography at the Structural Biology Center

Serial synchrotron crystallography enables the study of protein structures under physiological temperature and reduced radiation damage by collection of data from thousands of crystals. The Structural Biology Center at Sector 19 of the Advanced Photon Source has implemented a fixed-target approach with a new 3D-printed mesh-holder optimized for sample handling. The holder immobilizes a crystal suspension or droplet emulsion on a nylon mesh, trapping and sealing a near-monolayer of crystals in its mother liquor between two thin Mylar films. Data can be rapidly collected in scan mode and analyzed in near real-time using piezoelectric linear stages assembled in an XYZ arrangement, controlled with a graphical user interface and analyzed using a high-performance computing pipeline. Here, the system was applied to two β-lactamases: a class D serine β-lactamase from Chitinophaga pinensis DSM 2588 and L1 metallo-β-lactamase from Stenotrophomonas maltophilia K279a.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Interstate-24 MOTION: Closing the Loop on Smart Mobility

We introduce the I-24 Mobility Technology Interstate Observation Network (MOTION), a transportation cyber-physical systems testbed under development in Tennessee. It consists of a six-mile freeway segment instrumented with 400 4K resolution cameras, processed by a real-time compute system to enable continuous performance monitoring of freeway traffic. The testbed is being developed to support next generation connected and autonomous vehicle technologies and advanced traffic management. When complete, the testbed will be the longest continuously observed freeway segment in the world. This article introduces the testbed, discusses the core design choices, and outlines the preliminary work conducted to support the design.

Gloudemans, Derek↗
DOE OSTI2017

Integrating External Resources with a Task-Based Programming Model

Accessing external resources (e.g., loading input data, checkpointing snapshots, and out-of-core processing) can have a significant impact on the performance of supercomputer applications. However, no existing programming systems for high-performance computing directly manage and optimize these external accesses. As a result, users must explicitly manage external accesses alongside their computation at the application level, which can result in both correctness and performance issues. We address this limitation by introducing Iris, a task-based programming model with semantics for external resources. Iris allows applications to describe their access requirements to external resources and the relationship of those accesses to the computation. Iris incorporates external I/O into a deferred execution model, reschedules external I/O to overlap I/O with computation, and reduces external I/O when possible. We evaluate Iris on three microbenchmarks representative of important workloads in HPC and a full combustion simulation, S3D. We demonstrate that the Iris implementation of S3D reduces the external I/O overhead by up to 20×, compared to the Legion and the Fortran implementations.

97 MATHEMATICS AND COMPUTING↗