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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 OSTI2014

Automated Algorithms for Quantum-Level Accuracy in Atomistic Simulations: LDRD Final Report.

This report summarizes the result of LDRD project 12-0395, titled "Automated Algorithms for Quantum-level Accuracy in Atomistic Simulations." During the course of this LDRD, we have developed an interatomic potential for solids and liquids called Spectral Neighbor Analysis Poten- tial (SNAP). The SNAP potential has a very general form and uses machine-learning techniques to reproduce the energies, forces, and stress tensors of a large set of small configurations of atoms, which are obtained using high-accuracy quantum electronic structure (QM) calculations. The local environment of each atom is characterized by a set of bispectrum components of the local neighbor density projected on to a basis of hyperspherical harmonics in four dimensions. The SNAP coef- ficients are determined using weighted least-squares linear regression against the full QM training set. This allows the SNAP potential to be fit in a robust, automated manner to large QM data sets using many bispectrum components. The calculation of the bispectrum components and the SNAP potential are implemented in the LAMMPS parallel molecular dynamics code. Global optimization methods in the DAKOTA software package are used to seek out good choices of hyperparameters that define the overall structure of the SNAP potential. FitSnap.py, a Python-based software pack- age interfacing to both LAMMPS and DAKOTA is used to formulate the linear regression problem, solve it, and analyze the accuracy of the resultant SNAP potential. We describe a SNAP potential for tantalum that accurately reproduces a variety of solid and liquid properties. Most significantly, in contrast to existing tantalum potentials, SNAP correctly predicts the Peierls barrier for screw dislocation motion. We also present results from SNAP potentials generated for indium phosphide (InP) and silica (SiO 2 ). We describe efficient algorithms for calculating SNAP forces and energies in molecular dynamics simulations using massively parallel computers and advanced processor ar- chitectures. Finally, we briefly describe the MSM method for efficient calculation of electrostatic interactions on massively parallel computers.

Thompson, Aidan Patrick↗
DOE OSTI2016

Advanced Output Coupling for High Power Gyrotrons

The Phase II program developed an internal RF coupler that transforms the whispering gallery RF mode produced in gyrotron cavities to an HE11 waveguide mode propagating in corrugated waveguide. This power is extracted from the vacuum using a broadband, chemical vapor deposited (CVD) diamond, Brewster angle window capable of transmitting more than 1.5 MW CW of RF power over a broad range of frequencies. This coupling system eliminates the Mirror Optical Units now required to externally couple Gaussian output power into corrugated waveguide, significantly reducing system cost and increasing efficiency. The program simulated the performance using a broad range of advanced computer codes to optimize the design. Both a direct coupler and Brewster angle window were built and tested at low and high power. Test results confirmed the performance of both devices and demonstrated they are capable of achieving the required performance for scientific, defense, industrial, and medical applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Making Compiler-Based Tools Accessible Online

Compiler-based tools are widely used to analyze and optimize source codes for many purposes, including extracting insights about applications’ properties or restructuring code for better performance. However, using compiler-based tools is often difficult due to tedious and error-prone steps to configure and install such tools on various machines. In this paper, we describe a solution to use CGI + Bash to expose compilerbased tools to a web page so users can directly use these tools without installing them.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Making Compiler-Based Tools Accessible Online

Compiler-based tools are widely used to analyze and optimize source codes for many purposes, including extracting insights about applications’ properties or restructuring code for better performance. However, using compiler-based tools is often difficult due to tedious and error-prone steps to configure and install such tools on various machines. In this paper, we describe a solution to use CGI + Bash to expose compilerbased tools to a web page so users can directly use these tools without installing them.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

LDMS-GPU: Lightweight Distributed Metric Service (LDMS) for NVIDIA GPGPUs

GPUs are now a fundamental accelerator for many high-performance computing applications. They are viewed by many as a technology facilitator for the surge in fields like machine learning and Convolutional Neural Networks. To deliver the best performance on a GPU, we need to create monitoring tools to ensure that we optimize the code to get the most performance and efficiency out of a GPU. Since NVIDIA GPUs are currently the most commonly implemented in HPC applications and systems, NVIDIA tools are the solution for performance monitoring. The Light-Weight Distributed Metric System (LDMS) at Sandia is an infrastructure widely adopted for large-scale systems and application monitoring. Sandia has developed CPU application monitoring capability within LDMS. Therefore, we chose to develop a GPU monitoring capability within the same framework. In this report, we discuss the current limitations in the NVIDIA monitoring tools, how we overcame such limitations, and present an overview of the tool we built to monitor GPU performance in LDMS and its capabilities. Also, we discuss our current validation results. Most of the performance counter results are the same in both vendor tools and our tool when using LDMS to collect these results. Furthermore, our tool provides these statistics during the entire runtime of the tool as a time series and not just aggregate statistics at the end of the application run. This allows the user to see the progress of the behavior of the applications during their lifetime.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

US Department of Energy, Office of Science High Performance Computing Facility Operational Assessment 2021: Oak Ridge Leadership Computing Facility

Oak Ridge National Laboratory’s (ORNL’s) Leadership Computing Facility (OLCF) continues to surpass its operational target goals of supporting users; delivering fast, reliable computational ecosystems; creating innovative solutions for high-performance computing (HPC) needs; contributing to the community to build the next generation HPC workforce, and managing risks, safety, and security associated with operating some of the most powerful computers in the world. The results can be seen in the cutting-edge science conducted by users and the praise from the research community. Calendar year (CY) 2021 saw continued excellence in research supported by the OLCF’s leadership-class computing resources, including Summit (the nation’s most powerful supercomputer), the global scratch file system Alpine, the Scalable Protected Infrastructure (SPI), the Exploratory Visualization Environment for Research in Science and Technology (EVEREST), and the archival mass-storage resource High-Performance Storage System (HPSS). While maintaining access and exceptional user support for Summit, the OLCF continued to make progress on the installation and deployment of Frontier, which will be the nation’s first exascale system when it comes online at the start of CY 2023. Users have already begun running and optimizing scientific codes on Crusher, the OLCF test and development system equipped with Frontier’s architecture. Throughout the year, the OLCF maintained a strong culture of operational excellence, including risk management, workplace safety, and cybersecurity. The OLCF’s rigorous risk management strategy anticipated and mitigated risks, and at this time there are no high-priority operational risks. Similarly, ORNL and the OLCF were committed to operating under the US Department of Energy’s (DOE’s) safety regulations that ensure a safe workplace. Technical staff tracked and monitored existing threats and vulnerabilities within the OLCF while continually developing tools and practices to enhance operations without increasing the facility’s risk. CY 2021 was filled with outstanding results and accomplishments, including a very high rating from users on overall satisfaction for the eighth consecutive year; a tremendous number of node hours delivered to 1,671 researchers on Summit; and the successful delivery of the allocation split of roughly 60%, 20%, and 20% of core-hours offered for the Innovative and Novel Computational Impact on Theory and Experiment (INCITE), Advanced Scientific Computing Research Leadership Computing Challenge (ALCC), and Director’s Discretionary (DD) programs, respectively (Section 2). COVID-19 research remained a focus in 2021, and the ALCC and DD programs allocated over 1 million Summit hours to the COVID-19 High Performance Computing Consortium. These accomplishments, coupled with the high utilization rates (i.e., overall and capability usage), represent the fulfillment of the promise of leadership class machines: efficient facilitation of leadership-class computational applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Investigation into Scalable and Detection-Enhanced Satellite Conjunction Assessment

Imaging opportunities (viewable conjunctions) of Resident Space Objects (RSOs) by satellites are not continuously discovered. We propose to continuously produce and report viewable conjunctions among objects in orbit. Viewable conjunctions are events in space and time when a satellite may favorably view a Resident Space Object (RSO). Favorability is defined by a set of constraints, e.g., solar illumination, distance between observer and target, orbital location for viewable event. Computing viewable conjunctions requires calculation of orbital propagation while considering constraints based on the state vectors of position, velocity, with covariance for both satellite and RSO. We propose two parallel lanes of effort: acceleration and research. The objective of acceleration is to avoid missed opportunities and reduce latency for satellite maneuver requests through continuous prediction and reporting of viewable conjunctions. The effort will begin by deploying currently available software on dedicated systems and continue with optimizing the code for high performance computing hardware. The research lane aims to expand RSO inspection and modeling capabilities. Among our current research ideas are spectral characterization of RSO materials and planning multiple observations to recover RSO 3D form. Computing resources at Oak Ridge National Laboratory (ORNL) are available for the acceleration work. Laika, Maxar conjunction prediction dashboard software, and Bluesim, Maxar orbital propagation software, are expected to be the first software in the acceleration lane. Laike and Bluesim are to be provided by the sponsor, and output will be made accessible through its dashboard. Deliverables will follow a gated schedule to the sponsor. ORNL will provide progressively more robust viewable conjunction assessments from both modelled and actual ephemerides.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Stellar and Accretion Disk Parameters of the Close Binary HD 50526

We present a photometric and spectroscopic study of HD 50526, an ellipsoidal binary member of the group Double Periodic Variable stars. Performing data mining in photometric surveys and conducting new spectroscopic observations with several spectrographs during 2008–2015, we obtained orbital and stellar parameters of the system. The radial velocities were analyzed with the genetic PIKAIA algorithm, whereas Doppler tomography maps for the Hα and Hβ lines were constructed with the Total Variation Minimization code. An optimized simplex algorithm was used to solve the inverse problem adjusting the light curve with the best stellar parameters for the system. We find an orbital period of 6.ͩ701 ± 0.ͩ001 and a long photometric cycle of 191 ± 2 days. We detected the spectral features of the coldest star and modeled it with a logg=2.79±0.02 dex giant of mass 1.13 ± 0.02 M {sub ⊙} and effective temperature 10500 ± 125 K. In addition, we determine a mass ratio q = 0.206 ± 0.033 and that the hot star is a B-type dwarf of mass 5.48 ± 0.02 M {sub ⊙}. The V-band orbital light curve can be modeled including the presence of an accretion disk around the hotter star. This fills the Roche lobe of the hotter star and has a radius 14.74 ± 0.02 R {sub ⊙} and the temperature at the outer edge is 9400 K. Two bright spots located in the disk account for the global morphology of the light curve. The Doppler tomography maps of Hα and Hβ reveal complex structures of mass fluxes in the system.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1975

On-board data management study for EOPAP

The requirements, implementation techniques, and mission analysis associated with on-board data management for EOPAP were studied. SEASAT-A was used as a baseline, and the storage requirements, data rates, and information extraction requirements were investigated for each of the following proposed SEASAT sensors: a short pulse 13.9 GHz radar, a long pulse 13.9 GHz radar, a synthetic aperture radar, a multispectral passive microwave radiometer facility, and an infrared/visible very high resolution radiometer (VHRR). Rate distortion theory was applied to determine theoretical minimum data rates and compared with the rates required by practical techniques. It was concluded that practical techniques can be used which approach the theoretically optimum based upon an empirically determined source random process model. The results of the preceding investigations were used to recommend an on-board data management system for (1) data compression through information extraction, optimal noiseless coding, source coding with distortion, data buffering, and data selection under command or as a function of data activity, (2) for command handling, (3) for spacecraft operation and control, and (4) for experiment operation and monitoring.

Davisson, L. D.↗
NASA NTRS1976

Design study of wind turbines 50 kW to 3000 kW for electric utility applications. Volume 1: Summary report

Wind turbine configurations that would lead to generation of electrical power in a cost effective manner were considered. All possible overall system configurationss, operating modes, and sybsystem concepts were evaluated for both technical feasibility and compatibility with utility networks, as well as for economic attractiveness. A design optimization computer code was developed to determine the cost sensitivity of the various design features, and thus establish the configuration and design conditions that would minimize the generated energy costs. The preliminary designs of both a 500 kW unit and a 1500 kW unit operating in a 12 mph and 18 mph median wind speed respectively, were developed. The rationale employed and the key findings are summarized.

Source record↗
NASA NTRS1976

Design study of wind turbines 50 kW to 3000 kW for electric utility applications. Volume 2: Analysis and design

All possible overall system configurations, operating modes, and subsystem concepts for a wind turbine configuration for cost effective generation of electrical power were evaluated for both technical feasibility and compatibility with utility networks, as well as for economic attractiveness. A design optimization computer code was developed to determine the cost sensitivity of the various design features, and thus establish the configuration and design conditions that would minimize the generated energy costs. The preliminary designs of both a 500 kW unit and a 1500 kW unit operating in a 12 mph and 18 mph median wind speed respectively, were developed. The various design features and components evaluated are described, and the rationale employed to select the final design configuration is given. All pertinent technical performance data and component cost data is included. The costs of all major subassemblies are estimated and the resultant energy costs for both the 500 kW and 1500 kW units are calculated.

Source record↗
NASA NTRS1978

Quasi-optimal decoding of linear block codes using soft decision detection

A simple but effective decoding procedure, applicable to any (n,k) linear block code with symbols from GF(q), is described. The technique involves a transformation of the parity check equations which focuses the code's correction power on the soft symbol set while still retaining the capability to correct one symbol error from outside this set. The soft symbol set is defined to be the n-k least reliably detected code symbol positions whose parity check row-spaces are linearly independent. The process generates a number of error vector screening candidates, each a solution to the parity check equations, and the maximum-likelihood candidate is accepted.

Greene, E. P.↗
NASA NTRS1979

Minimum-mass designs of stiffened graphite/polyimide compression panels

This study presents results from an analytic investigation to determine minimum-mass designs of stiffened Gr/Pi compression panels for a wide range of uniaxial compression loads. Four panel configurations are considered: (1) hat stiffened-laminated skin, (2) hat stiffened-honeycomb core sandwich skin, (3) blade stiffened-laminated skin and (4) blade stiffened-honeycomb core sandwich skin panels. Designs are generated by an automatic optimization computer code entitled PASCO (Panel Analysis and Sizing COde). The analysis portion of PASCO contains a generalized buckling analysis which calculates all critical modes without assuming any of them a priori. Mass-strength curves are presented for the four configurations along with specific designs generated for low, moderate and high values of compression load. A mass-strength curve for a titanium hat stiffened panel is provided for comparison. A 30% to 50% mass savings over titanium panels is shown for moderately and heavily loaded Gr/Pi panels.

Weaver, G. G., II↗
NASA NTRS1986

A note on the wideband Gaussian broadcast channel

It is well known that for the Gaussian broadcast channel, timeshared coding is not as efficient as more sophisticated broadcast coding strategies. However, the relative advantage of broadcast coding over timeshared coding is shown to be small if the signal-to-noise ratios of both receivers are small. One surprising consequence of this is that for the wideband Gaussian broadcast channel, which is defined, broadcast coding offers no advantage over timeshared coding at all, and so timeshared coding is optimal.

Mceliece, R. J.↗
NASA NTRS1988

Structural tailoring of high-speed turbine blades (SSME/STAEBL)

Space shuttle main engine (SSME) blades are subject to severe thermal, pressure, and forced vibration environments. Structural optimization provides an automated alternative to time consuming iterations. Any number of analyses, design variables, and constraints can be incorporated in a structural optimization computer code. This idea was applied to develop the code SSME/STAEBL, which is a stand alone code suitable for automated design of SSME turbopump blades. Additions and modifications of STAEBL included in SSME/STAEBL include the following: (1) thermal stress analysis, (2) gas dynamic (pressure) loads, (3) temperature-dependent material and thermal properties, (4) forced vibrations, (5) tip displacement constraints, (6) single crystal material analysis, (7) blade cross-section stacking offsets, and (8) direct time integration algorithm for transient dynamic response.

Rubinstein, Robert↗
NASA NTRS1989

Global backscatter assessment

The focus of this effort is the development of a global-scale model of aerosol backscatter for laser atmospheric wind sounder (LAWS) design and performance studies. Background parameters are derived from aerosol data sets with global-scale spatial and/or temporal coverage, using objective statistical decomposition and/or a priori stratification based on supplementary data. Backscatter coefficients at the LAWS design wavelength are derived from background aerosol physical, chemical, and optical data, or from direct backscatter measurements at other wavelengths, using background conversion factors. Direct measurements of aerosol backscatter at 10.6 microns from the Royal Signals and Radar Establishment (RSRE) and the Wave Propagation Laboratory (WPL) were selected. The RSRE backscatter data processing code were optimized under low backscatter conditions, performed detailed analyses of collocated intercomparisons between the two lidars, and assisted in the analysis of the long-term backscatter climatologies from the two lidars. Timely presentation of global backscattering experiment (GLOBE) research results to the global geophysical community is required.

Bowdle, David A.↗
NASA NTRS1991

Characterizing Computers And Predicting Computing Times

Improved method for evaluation and comparison of computers running same or different FORTRAN programs devised. Enables one to predict time necessary to run given "benchmark" or other standard program on given computer, in scalar mode and without optimization of codes generated by compiler. Such "benchmark" running times are principal measures used to characterize performances of computers; of interest to designers, manufacturers, programmers, and users.

Saavedra-Barrera, Rafael H.↗