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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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At least 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

A dual cone-beam CT system for image guided radiotherapy: Initial performance characterization

Purpose: The purpose of this study is to evaluate the performance of a recently developed benchtop dual cone-beam computed tomography (CBCT) system with two orthogonally placed tube/detector sets. Methods: The benchtop dual CBCT system consists of two orthogonally placed 40 Multiplication-Sign 30 cm flat-panel detectors and two conventional x-ray tubes with two individual high-voltage generators sharing the same rotational axis. The x-ray source to detector distance is 150 cm and x-ray source to rotational axis distance is 100 cm for both subsystems. The objects are scanned through 200 Degree-Sign of rotation. The dual CBCT system utilized 110 Degree-Sign of projection data from one detector and 90 Degree-Sign from the other while the two individual single CBCTs utilized 200 Degree-Sign data from each detector. The system performance was characterized in terms of uniformity, contrast, spatial resolution, noise power spectrum, and CT number linearity. The uniformities, within the axial slice and along the longitudinal direction, and noise power spectrum were assessed by scanning a water bucket; the contrast and CT number linearity were measured using the Catphan phantom; and the spatial resolution was evaluated using a tungsten wire phantom. A skull phantom and a ham were also scanned to provide qualitative evaluation of high- and low-contrast resolution. Each measurement was compared between dual and single CBCT systems. Results: Compared to single CBCT, the dual CBCT presented: (1) a decrease in uniformity by 1.9% in axial view and 1.1% in the longitudinal view, as averaged for four energies (80, 100, 125, and 150 kVp); (2) comparable or slightly better contrast (0{approx}25 HU) for low-contrast objects and comparable contrast for high-contrast objects; (3) comparable spatial resolution; (4) comparable CT number linearity with R{sup 2}{>=} 0.99 for all four tested energies; (5) lower noise power spectrum in magnitude. Dual CBCT images of the skull phantom and the ham demonstrated both high-contrast resolution and good soft-tissue contrast. Conclusions: The performance of a benchtop dual CBCT imaging system has been characterized and is comparable to that of a single CBCT.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1994

Some Problems and Solutions in Transferring Ecosystem Simulation Codes to Supercomputers

Many computer codes for the simulation of ecological systems have been developed in the last twenty-five years. This development took place initially on main-frame computers, then mini-computers, and more recently, on micro-computers and workstations. Recent recognition of ecosystem science as a High Performance Computing and Communications Program Grand Challenge area emphasizes supercomputers (both parallel and distributed systems) as the next set of tools for ecological simulation. Transferring ecosystem simulation codes to such systems is not a matter of simply compiling and executing existing code on the supercomputer since there are significant differences in the system architectures of sequential, scalar computers and parallel and/or vector supercomputers. To more appropriately match the application to the architecture (necessary to achieve reasonable performance), the parallelism (if it exists) of the original application must be exploited. We discuss our work in transferring a general grassland simulation model (developed on a VAX in the FORTRAN computer programming language) to a Cray Y-MP. We show the Cray shared-memory vector-architecture, and discuss our rationale for selecting the Cray. We describe porting the model to the Cray and executing and verifying a baseline version, and we discuss the changes we made to exploit the parallelism in the application and to improve code execution. As a result, the Cray executed the model 30 times faster than the VAX 11/785 and 10 times faster than a Sun 4 workstation. We achieved an additional speed-up of approximately 30 percent over the original Cray run by using the compiler's vectorizing capabilities and the machine's ability to put subroutines and functions "in-line" in the code. With the modifications, the code still runs at only about 5% of the Cray's peak speed because it makes ineffective use of the vector processing capabilities of the Cray. We conclude with a discussion and future plans.

Skiles, J. W.↗
NASA NTRS1998

Numerical Modeling of Physical Vapor Transport in Contactless Crystal Growth Geometry

Growth from the vapor under conditions of limited contact with the walls of the growth ampoule is beneficial for the quality of the growing crystal due to reduced stress and contamination which may be caused by interactions with the growth container. The technique may be of a particular interest for studies on crystal growth under microgravity conditions: elimination of some factors affecting the crystal quality may make interpretation of space-conducted processes more conclusive and meaningful. For that reason, and as a part of our continuing studies on 'contactless' growth technique, we have developed a computational model of crystal growth process in such system. The theoretical model was built, and simulations were performed using the commercial computational fluid dynamics code, (CFD) ACE. The code uses an implicit finite volume formulation with a gray discrete ordinate method radiation model which accounts for the diffuse absorption and reflection of radiation throughout the furnace. The three-dimensional model computes the heat transfer through the crystal, quartz, and gas both inside and outside the ampoule, and mass transport from the source to the crystal and the sink. The heat transport mechanisms by conduction, natural convection, and radiation, and mass transport by diffusion and convection are modeled simultaneously and include the heat of the phase transition at the solid-vapor interfaces. As the thermal boundary condition, temperature profile along the walls of the furnace is used. For different thermal profiles and furnace and ampoule dimensions, the crystal growth rate and development of the crystal-vapor and source-vapor interfaces (change of the interface shape and location with time) are obtained. Super/under-saturation in the ampoule is determined and critical factors determining the 'contactless' growth conditions are identified and discussed. The relative importance of the ampoule dimensions and geometry, the furnace dimensions and its temperature, and the properties of the grown material are analyzed. The results of the simulations are compared with related experimental results on growth of CdTe, CdZnTe, ZnTe, PbTe, and PbSnTe crystals by this technique.

Palosz, W.↗
NASA NTRS1993

An Efficient Image Recovery Algorithm for Diffraction Tomography Systems

A diffraction tomography system has potential application in ultrasonic medical imaging area. It is capable of achieving imagery with the ultimate resolution of one quarter the wavelength by collecting ultrasonic backscattering data from a circular array of sensors and reconstructing the object reflectivity using a digital image recovery algorithm performed by a computer. One advantage of such a system is that is allows a relatively lower frequency wave to penetrate more deeply into the object and still achieve imagery with a reasonable resolution. An efficient image recovery algorithm for the diffraction tomography system was originally developed for processing a wide beam spaceborne SAR data...

Jin, Michael Y.↗
DOE OSTI2020

Whole program Adaptive Error Detection and Mitigation

Our project investigated methods to detect soft errors in computing systems. Such detection schemes must have low overheads and also generate no false positives. Our solutions focused on control-space error detection based on changing addressing schemes so that faults tend to cascade – rather than being masked. Our solutions also addressed data-space error detection by synthesizing error detectors based on rigorous floating-point error analysis.

42 ENGINEERING↗
DOE OSTI2016

Experimental Analysis of File Transfer Rates over Wide-Area Dedicated Connections

File transfers over dedicated connections, supported by large parallel file systems, have become increasingly important in high-performance computing and big data workflows. It remains a challenge to achieve peak rates for such transfers due to the complexities of file I/O, host, and network transport subsystems, and equally importantly, their interactions. We present extensive measurements of disk-to-disk file transfers using Lustre and XFS file systems mounted on multi-core servers over a suite of 10 Gbps emulated connections with 0-366 ms round trip times. Our results indicate that large buffer sizes and many parallel flows do not always guarantee high transfer rates. Furthermore, large variations in the measured rates necessitate repeated measurements to ensure confidence in inferences based on them. We propose a new method to efficiently identify the optimal joint file I/O and network transport parameters using a small number of measurements. We show that for XFS and Lustre with direct I/O, this method identifies configurations achieving 97% of the peak transfer rate while probing only 12% of the parameter space.

Rao, Nageswara S.↗
DOE OSTI2016

Extreme-scale Algorithms and Solver Resilience

A widening gap exists between the peak performance of high-performance computers and the performance achieved by complex applications running on these platforms. Over the next decade, extreme-scale systems will present major new challenges to algorithm development that could amplify this mismatch in such a way that it prevents the productive use of future DOE Leadership computers due to the following; Extreme levels of parallelism due to multicore processors; An increase in system fault rates requiring algorithms to be resilient beyond just checkpoint/restart; Complex memory hierarchies and costly data movement in both energy and performance; Heterogeneous system architectures (mixing CPUs, GPUs, etc.); and Conflicting goals of performance, resilience, and power requirements.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1981

Experimental verification of a computational procedure for the design of TWT-refocuser-MDC systems

A comparison of analytical and experimental results is presented for a high performance dual-mode helix TWT, equipped with multistage depressed collectors (MDC), and operated over conditions ranging from saturation to the linear regime. The computations are carried out with advanced multidimensional computer programs which model the electron beam as a series of disks or rings of charge and follow their trajectories from the RF input of the TWT, through the slow-wave structure, through the refocusing system, to their points of impact in the depressed collector. TWT performance, collector efficiency, and collector current distribution are computed and compared with measurements. Very good agreement is obtained between computed and measured TWT performance and collector efficiencies. The analytical techniques were subsequently applied to the design of a smaller MDC of nearly equal efficiency.

Dayton, J. A., Jr.↗
DOE OSTI2016

Center for Efficiency in Sustainable Energy Systems

The main goal of the Center for Efficiency in Sustainable Energy Systems is to produce a methodology that evaluates a variety of energy systems. Task I. Improved Energy Efficiency for Industrial Processes: This task, completed in partnership with area manufacturers, analyzes the operation of complex manufacturing facilities to provide flexibilities that allow them to improve active-mode power efficiency, lower standby-mode power consumption, and use low cost energy resources to control energy costs in meeting their economic incentives; (2) Identify devices for the efficient transformation of instantaneous or continuous power to different devices and sections of industrial plants; and (3) use these manufacturing sites to demonstrate and validate general principles of power management. Task II. Analysis of a solid oxide fuel cell operating on landfill gas: This task consists of: (1) analysis of a typical landfill gas; (2) establishment of a comprehensive design of the fuel cell system (including the SOFC stack and BOP), including durability analysis; (3) development of suitable reforming methods and catalysts that are tailored to the specific SOFC system concept; and (4) SOFC stack fabrication with testing to demonstrate the salient operational characteristics of the stack, including an analysis of the overall energy conversion efficiency of the system. Task III. Demonstration of an urban wind turbine system: This task consists of (1) design and construction of two side-by-side wind turbine systems on the YSU campus, integrated through power control systems with grid power; (2) preliminary testing of aerodynamic control effectors (provided by a small business partner) to demonstrate improved power control, and evaluation of the system performance, including economic estimates of viability in an urban environment; and (3) computational analysis of the wind turbine system as an enabling activity for development of smart rotor blades that contain integrated sensor/actuator/controller modules to enhance energy capture and reduce aerodynamic loading and noise by way of virtual aerodynamic shaping. Accomplishments: Task I. Improved Energy Efficiency for Industrial Processes: We organized an energy management training session held on February 22, 2011, which was advertised through a regional manufacturing association to provide wide-ranging notification. Over two dozen companies were represented a the seminar, ranging from heavy manufacturing businesses with $5,000,000 per year energy expenses, to small, light manufacturing facilities. Task 2. Landfill Fuel Cell Power Generation Solid Oxide Fuel Cells (SOFCs) were constructed and evaluated as a means of obtaining electrical energy from landfill gas. Analysis of landfill gas. Attempts at collecting gas samples at the landfill and evaluating them on campus were still unsuccessful. Even a Teflon® sample bag would lose its H2S content. Evaluation of Gas Clean-up We consider this a confirmation of the CO2 effect on the solubility of H2S in water making much less sulfide available for the photocatalyst. It also means that another method should be employed to clean up landfill gas. Nonetheless, composition of impurities in landfill gas was reduced sufficiently to allow successful operation of the test fuel cell. Comparison to a PEM fuel cell system. If a PEMFC were to be operated with landfill gas as the fuel, the gas would have to be treated for sulfur removal, and then processed in a reformer large enough to drive the equilibrium far toward the products, so that negligible CO would flow into the fuel cell. Analysis of a fuel cell running on landfill gas. Using a Gow-Mac gas chromatograph with a thermal conductivity detector, unambiguous determination of CO can be made, at least as a primary constituent Task 3: Task 3 Plasma Controlled Turbine Blades Wind Turbine Selection. After carefully reviewing the various model available in the market the team selected the ARE 110 (2.5kW). The ARE 110 provides a very long life with little maintenance due to their relatively low rotational speeds (low RPM). The turbines large swept area (10.2ms2/110sq.ft), high-efficiency blades, purpose built alternator, and optimized power electronics ensure maximum energy capture from a wide range of wind speeds. Two wind turbines were installed side-by-side at the Melnick Hall site to compare their performance. Evaluate and Optimize Aerodynamically Enhanced Turbine Blades Due to delays in the installation of the wind turbines, no actual data was obtained within the contract period. At this time, the turbines are installed and operational at YSU with standard blades. We are in contact with Orbital Research and in discussion as to how best the required data can be obtained.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

White Box Access to Quantum Testbeds for Co-Design

At Lawrence Livermore National Laboratory (LLNL), we operate and maintain the Quantum Device and Integration Testbed (QuDIT) facility, a small quantum testbed that supports about 10 active research teams (including our own) and over 50 internal and external collaborators. This testbed is designed to give remote white box access to users for research, training, and outreach. A guiding principle behind the development of our testbed infrastructure, software and user interfaces is to empower users to perform experiments at the cutting edge of quantum information science at any level of abstraction, from materials studies, device physics and control and characterization techniques to algorithm development and quantum operating system design. Our testbed targets a multilevel quantum system (qudit) to expand the accessible Hilbert space of a simple-to-manufacture quantum device and focuses on quantum simulation, typically implemented through custom gates designed with quantum optimal control methods, rather than on a universal computing framework with a fixed gate set. We leverage the Lab’s high-performance computing (HPC) program and related expertise to simulate quantum systems, develop hybrid algorithms, and generate gates optimized for given simulations. Additionally, we have adopted a co-design philosophy from the HPC community in designing new hardware, so that the systems we develop are optimized for the specific physics simulations we plan to use them for.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Climbing the Summit and Pushing the Frontier of Mixed Precision Benchmarks at Extreme Scale

The rise of machine learning (ML) applications and their use of mixed precision to perform interesting science are driving forces behind AI for science on HPC. The convergence of ML and HPC with mixed precision offers the possibility of transformational changes in computational science. The HPL-AI benchmark is designed to measure the performance of mixed precision arithmetic as opposed to the HPL benchmark which measures double precision performance. Pushing the limits of systems at extreme scale is nontrivial -little public literature explores optimization of mixed precision computations at this scale. In this work, we demonstrate how to scale up the HPL-AI benchmark on the pre-exascale Summit and exascale Frontier systems at the Oak Ridge Leadership Computing Facility (OLCF) with a cross-platform design. We present the implementation, performance results, and a guideline of optimization strategies employed for delivering portable performance on both AMD and NVIDIA GPUs at extreme scale.

Lu, Hao↗
DOE OSTI2023

A Backend-agnostic, Quantum-classical Framework for Simulations of Chemistry in C ++

As quantum computing hardware systems continue to advance, the research and development of performant, scalable, and extensible software architectures, languages, models, and compilers is equally as important to bring this novel coprocessing capability to a diverse group of domain computational scientists. For the field of quantum chemistry, applications and frameworks exist for modeling and simulation tasks that scale on heterogeneous classical architectures, and we envision the need for similar frameworks on heterogeneous quantum-classical platforms. Furthermore, we present the XACC system-level quantum computing framework as a platform for prototyping, developing, and deploying quantum-classical software that specifically targets chemistry applications. We review the fundamental design features in XACC, with special attention to its extensibility and modularity for key quantum programming workflow interfaces and provide an overview of the interfaces most relevant to simulations of chemistry. A series of examples demonstrating some of the state-of-the-art chemistry algorithms currently implemented in XACC are presented, while also illustrating the various APIs that would enable the community to extend, modify, and devise new algorithms and applications in the realm of chemistry.

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

Non-Traditional Supercomputing

The High-Performance Computing of today is much different than the supercomputing resources a few decades ago. The supercomputers of the past were huge complexes of hundreds of interconnected computers that had large teams of specialists to keep them running. Today, while supercomputers like Summit (the world's most powerful supercomputer as of June 2018, installed at Oak Ridge National Laboratory) are still in high demand for extremely fast computational power (over 200,000 trillion calculations per second, or 200 petaflops), researchers at Sandia now have access to non-traditional computing resources in the way of very powerful graphics processing units (GPUs). These GPU systems have enabled an entirely new avenue of exploration for Sandia, allowing researchers to further tackle problems in energy, advanced materials, artificial intelligence, and nuclear weapons. Many teams at Sandia utilize these GPU clusters to build models through the use of machine learning. These models are faster representations of their code-driven counterparts and can often be leveraged from the exascale computing resources of traditionally larger systems with huge boosts in performance. We highlight two resources for these smaller systems: the team that builds the hardware, and the team that researches and builds the machine learning algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Performance Portability of Molecular Docking Miniapp On Leadership Computing Platforms

Rapidly changing computer architectures, such as those found at high-performance computing (HPC) facilities, present the need for mini-applications (miniapps) that capture essential algorithms used in large applications to test program performance and portability, aiding transitions to new systems. The COVID-19 pandemic has fueled a flurry of activity in computational drug discovery, including the use of supercomputers and GPU acceleration for massive virtual screens for therapeutics. Recent work targeting COVID-19 at the Oak Ridge Leadership Computing Facility (OLCF) used the GPU-accelerated program AutoDock-GPU to screen billions of compounds on the Summit supercomputer. In this paper we present the development of a new miniapp, miniAutoDock-GPU, that can be used to evaluate the performance and portability of GPU-accelerated protein-ligand docking programs on different computer architectures. These tests are especially relevant as facilities transition from petascale systems and prepare for upcoming exascale systems that will use a variety of GPU vendors. The key calculations, namely, the Lamarckian genetic algorithm combined with a local search using a Solis-Wets based random optimization algorithm, are implemented. We developed versions of the miniapp using several different programming models for GPU acceleration, including a version using the CUDA runtime API for NVIDIA GPUs, and the Kokkos middle-ware API which is facilitated by C++ template libraries. A third version, currently in progress, uses the HIP programming model. These efforts will help facilitate the transition to exascale systems for this important emerging HPC application, as well as its use on a wide range of heterogeneous platforms.

Thavappiragasam, Mathialakan↗
DOE OSTI2019

Implementation of Feldman-Cousins Corrections and Oscillation Calculations in the HPC Environment for the NOvA Experiment

Analysis of neutrino oscillation data involves a combination of complex fitting procedures and statistical correction techniques that are used to determine the full three-flavor PMNS parameters and constraint contours. These techniques rely on computationally intensive “multi-universe” stochastic modeling. The process of calculating these contours and corrections can dominate final stages of the data analysis and become a bottleneck for examining the ef-fect of systematic variations on the final results. As part of the DOE SciDAC-4 sponsored research program, we present a new implementation of a neutrino oscillation fitting and framework to carry out calculations of Feldman-Cousins corrections. This implementation is specifically designed and optimized to operate on modern High-Performance Computing (HPC) facilities. We present the performance of the system in calculating allowed regions for the NOvA experiment based on 8.9 x 1020 and 6.9 x 1020 protons-on-target (POT) neutrino and antineutrino datasets, and compare the performance of this new implementation run at the NERSC supercomputing facility with that from methods used previously by the NOvA collaboration running on grid computing facilities.

Sousa, Alexandre↗
DOE OSTI2020

A Performance analysis of the Claridge-Culp-Liu dehumidification process: A novel approach for drying moist air based on membrane separation, vacuum compression and sub-atmospheric condensation

This article covers a basic model for analyzing the performance of the Claridge-Culp-Liu dehumidification process. The fundamental process efficiency limit for dehumidification is close to COP Carnot , but for the eight dehumidification cases examined, the limiting or ideal energy use required is 26% to 56% that of a Carnot condensing system as shown in an earlier paper. The model presented in this paper is used to show the membrane system performance reduction caused by finite membrane area, finite water vapor permeance, non-zero air permeance, non-zero system air pressure drop, non-ideal compressors, vacuum pumps, and condensers. The performance of a “conservative” membrane system based on the use of existing components is computed for eight specific conditions along with that of a “target” system that assumes expected component performance after additional future component development. The “conservative” membrane system would use 36% to 66% as much energy as a system with a COP=7 chiller to produce the same dehumidification for the eight cases examined while the “target” system would use 15% to 40% the energy of a system with a COP=7 chiller. In addition to the significant energy reduction over conventional technology, the membrane system offers the advantages of: 1) no HFC refrigerant use; 2) direct isothermal control over humidity ratio setpoint; 3) maximum capacity occurs at design conditions; and 4) system generates pure water extracted from air as a by-product.

42 ENGINEERING↗
DOE OSTI2021

Standardizing Performance Metrics for Building-Level Electrical Distribution Systems

Building-level electrical distribution systems comprise a myriad of current-carrying equipment, conversion devices, and protection devices that deliver power from the utility or local distributed energy resources to end-use building loads. Electric power has traditionally been generated, transmitted, and distributed in alternating current (AC). However, the last decade has seen a significant increase in the integration of native direct current (DC) equipment that has elevated the importance of DC distribution systems. Numerous studies have comparatively examined the performance of various electrical distribution systems in buildings but have failed to achieve uniform conclusions, primarily because of a lack of consistent and analogous performance evaluation methods. This paper aims to fill this gap by providing a standard set of metrics and measurement boundaries to consistently evaluate the performance of AC, DC, or hybrid AC/DC electrical distribution systems. The efficacy of the proposed approach is evaluated on a representative medium-sized commercial office building model with AC distribution and an equivalent hybrid AC/DC and DC distribution model, wherein the AC distribution model is concluded to be the most efficient. The simulation results show variation in computed metrics with different selected boundaries that verify the effectiveness of the proposed approach in ensuring consistent computation of the performance of building-level electrical distribution systems. This paper provides an initial set of guidelines for building energy system stakeholders to adopt appropriate solutions, thus leading to more efficient energy systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗