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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 1,603 records · Page 89

Leveraging Pre-Built Catalogs and Object-Level Scheduling to Eliminate I/O Bottlenecks in HPC Environments

Modern High-Performance Computing (HPC) environments face mounting challenges due to the shift from large to small file datasets, along with an increasing number of users and parallelized applications. As HPC systems rely on Parallel File Systems (PFS), such as Lustre for data processing, performance bottlenecks stemming from Object Storage Target (OST) contention have become a significant concern. Existing solutions, such as LADS with its object-level scheduling approach, fall short in large-scale HPC environments due to their inability to effectively address metadata I/O bottlenecks and the growing number of I/O processes. This study highlights the pressing need for a comprehensive solution that tackles both OST contention and metadata I/O challenges in diverse HPC workloads. To address these challenges, we propose SwiftLoad, an object-level I/O scheduling framework that leverages a metadata catalog to enhance the performance and efficiency of parallel HPC utilities. The adoption of the metadata catalog mitigates the metadata I/O bottlenecks that commonly occur in HPC utilities, a challenge that is particularly pronounced in object-level I/O scheduling. SwiftLoad addresses OST contention and the uneven distribution of I/O processes across different OSTs through mathematical modeling and incorporates a Loader Configuration Module to regulate the number of I/O processes. Evaluated with two representative utilities—data deduplication profiling and data augmentation—SwiftLoad achieved performance improvements of up to 5.63x and 11.0x, respectively, on a production supercomputer.

HPC↗

Navigating Uncertainty: Challenges in Visualizing Ensemble Data and Surrogate Models for Decision Systems

Uncertainty visualization plays a critical role in transforming ensemble simulation data into actionable insights by effectively communicating various dimensions of uncertainty within a system. The emergence of artificial intelligence-driven surrogate models trained on multirun ensemble data offers a transformative opportunity to replace computationally intensive simulations with fast estimates, enabling users to explore data spaces with unprecedented depth and interactivity. However, integrating ensemble data and surrogate models into decision-making workflows and tools introduces novel challenges for uncertainty visualization. These include reconciling and clearly communicating the unique uncertainties associated with ensembles and their surrogate model estimates, and leveraging these approximations to inform actionable decisions. This work explores these challenges in the context of high-dimensional data visualization, bridging discrete datasets with their continuous representations and addressing the complexities of systems that support iterative navigation between input and output spaces. We evaluate the role of uncertainty visualization in fostering intuitive, actionable interactions and identify critical hurdles in advancing this frontier of computational simulation.

97 MATHEMATICS AND COMPUTING↗

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↗

Cooling Performance Testing of Attaway's Negative Pressure CDU

Attaway is a recently installed High-Performance Computing (HPC) machine at Sandia National Labs that is 70% water-cooled and 30% air-cooled. This machine, supplied by Penguin Computing, uses a novel new cooling system from Chilldyne that operates in a vacuum, preventing water leaks. If water-cooling is to fail, fans inside of each node will ramp up to do 100% of the cooling on Attaway. Various tests were completed on Attaway to determine the robustness of its cooling system as well as its ability to respond to sudden changes in states. These changes include an immediate change from an idle compute load to full load (Linpack) as well as running Linpack without any water cooling from Attaway's CDUs. It was discovered that Attaway could respond to sudden compute load changes very well, never throttling any nodes. When Linpack was run without water cooling, the system was able to operate for a short time before throttling happened.

42 ENGINEERING↗

Collection and processing of data from a phase-coherent meteor radar

An analysis of the measurement accuracy requirement of a high resolution meteor radar for observing short period, atmospheric waves is presented, and a system which satisfies the requirements is described. A medium scale, real time computer is programmed to perform all echo recognition and coordinate measurement functions. The measurement algorithms are exercised on noisy data generated by a program which simulates the hardware system, in order to find the effects of noise on the measurement accuracies.

Backof, C. A., Jr.↗

Design and performance evaluation of small, two- and four-stage depressed collectors for a 4.8 to 9.6 GHz high-performance traveling wave tube

A program to improve the efficiency of traveling wave tubes (TWT's) for use in electronic countermeasure (ECM) systems by applying multistage depressed collector (MDC) and spent beam refocusing techniques is studied. Three dimensional electron trajectories are computed through-out the slow wave structure of the TWT, the spent beam refocuser, and the depressed collector. Both TWT and MDC performances are analytically evaluated.

Ramins, P.↗

Advanced dc motor controller for battery-powered electric vehicles

A motor generation set is connected to run from the dc source and generate a voltage in the traction motor armature circuit that normally opposes the source voltage. The functional feasibility of the concept is demonstrated with tests on a Proof of Principle System. An analog computer simulation is developed, validated with the results of the tests, applied to predict the performance of a full scale Functional Model dc Controller. The results indicate high efficiencies over wide operating ranges and exceptional recovery of regenerated energy. The new machine integrates both motor and generator on a single two bearing shaft. The control strategy produces a controlled bidirectional plus or minus 48 volts dc output from the generator permitting full control of a 96 volt dc traction motor from a 48 volt battery, was designed to control a 20 hp traction motor. The controller weighs 63.5 kg (140 lb.) and has a peak efficiency of 90% in random driving modes and 96% during the SAE J 227a/D driving cycle.

Belsterling, C. A.↗

Simulation and analysis of antennas radiating in a complex environment

A numerical procedure for computing the high-frequency radiation patterns of antennas mounted on curved surfaces is described. The procedure utilizes the uniform geometrical theory of diffraction to examine the antenna system's performance, which is dependent on antenna radiation patterns. Composite ellipsoid models of fuselage shapes are developed and the formation of geodesic paths on the models is studied; the shape of the fuselage affects the radiation patterns. The actual field radiated by the source and scattered by the structure is calculated using the ray field technique. The numerical solution is applied to the analysis of the antenna radiation patterns of a military aircraft, private aircraft, and the Space Shuttle orbiter. Good correlation between the calculated and measured radiation patterns is noted verifying the usefulness and accuracy of the numerical procedure.

Kim, J. J.↗

Gas scintillation drift chambers with wave shifter read-out for hard X-ray astronomy

A major improvement in hard X-ray and gamma ray astrophysics could be provided by high pressure xenon time projection chambers where gas scintillation is used both for the measurement of the time of interaction and for the detection of the extracted electrons. This allows three dimensional imaging of naturally complex events (photoelectric interaction with escape photon, Compton scatter, and pair production). A novel read-out system based on wave shifter fibers, which is well suited to the high pressures and large areas required of a hard X-ray telescope is proposed. Expected performances are computed, potential problems are outlined, and the experimental effort to solve these problems are described.

Sadoulet, Bernard↗

In-flight demonstration of a Real-Time Flush Airdata Sensing (RT-FADS) system

A prototype real-time flush airdata sensing (RT-FADS) system has been developed and flight tested at the NASA Dryden Flight Research Center. This system uses a matrix of pressure orifices on the vehicle nose to estimate airdata parameters in real time using nonlinear regression. The algorithm is robust to sensor failures and noise in the measured pressures. The RT-FADS system has been calibrated using inertial trajectory measurements that were bootstrapped for atmospheric conditions using meteorological data. Mach numbers as high as 1.6 and angles of attack greater than 45 deg have been tested. The system performance has been evaluated by comparing the RT-FADS to the ship system airdata computer measurements to give a quantitative evaluation relative to an accepted measurement standard. Nominal agreements of approximately 0.003 in Mach number and 0.20 deg in angle of attack and angle of sideslip have been achieved.

Whitmore, Stephen A.↗

Application of a Navier-Stokes Solver to the Analysis of Multielement Airfoils and Wings Using Multizonal Grid Techniques

A computational study was performed to determine the predictive capability of a Reynolds averaged Navier-Stokes code (CFL3D) for two-dimensional and three-dimensional multielement high-lift systems. Three configurations were analyzed: a three-element airfoil, a wing with a full span flap and a wing with a partial span flap. In order to accurately model these complex geometries, two different multizonal structured grid techniques were employed. For the airfoil and full span wing configurations, a chimera or overset grid technique was used. The results of the airfoil analysis illustrated that although the absolute values of lift were somewhat in error, the code was able to predict reasonably well the variation with Reynolds number and flap position. The full span flap analysis demonstrated good agreement with experimental surface pressure data over the wing and flap. Multiblock patched grids were used to model the partial span flap wing. A modification to an existing patched- grid algorithm was required to analyze the configuration as modeled. Comparisons with experimental data were very good, indicating the applicability of the patched-grid technique to analyses of these complex geometries.

Jones, Kenneth M.↗

[?]Nonlinear Issues in the Aerothermochemistry of Gases and Materials and the Associated Physics and Dynamics of Interfaces

Our research and technology are focused on nonlinear issues in the aerothermochemistry of gases and materials and the associated physics and dynamics of interfaces. Our program is now organized to aggressively support the NASA Aeronautics Enterprise so as to: (a) develop a new generation of environmentally compatible, economic subsonic aircraft; (b) develop the technology base for an economically viable and environmentally compatible high-speed civil transport; (c) develop the technology options for new capabilities in high-performance aircraft; (d) develop hypersonic technologies for air-breathing flight; and (e) develop advanced concepts, understanding of physical phenomena, and theoretical, experimental, and computational tools for advanced aerospace systems. The implications from our research for aeronautical and aerospace technology have been both broad and deep. For example, using advanced computational techniques, we have determined exact solutions for the Schrodinger equation in electron-molecule scattering allowing us to evaluate atmospheric models important to reentry physics. We have also found a new class of exact solutions for the Navier Stokes equations. In experimental fluid dynamics, we have found explicit evidence of turbulence modification of droplet sizes in shock tube flow with condensation. We have developed a new diagnostic tool for the direct estimation of flow velocities at MHz sampling rates in quasi-one dimensional turbulent flow. This procedure suggests an unexpected confirmation of the possibility of 'natural' closure in Reynolds stresses with deep implications for the development of turbulent models. A transient increase is observed in both the spectral energy decay rate and the degree of chaotic complexity at the interface of a shock wave and a turbulent ionized gas. Even though the gas is apparently brought to rest by the shock wave, no evidence is found either of the expected relaminarization. A unique diamond-shaped nozzle has been designed for a detailed investigation of the effect of significant streamwise vorticity on the acoustic and IR characteristics of supersonic jets. Our results provide convincing evidence of the significant effect of vorticity on the far-field noise for the diamond jet as compared to the conventional round jets. We have found that the countercurrent shear layer mixes much more efficiently than conventional coflowing shear layers. We also developed the fluid thrust vectoring procedures which use counter flow to vector a jet. Our materials research has shown that the steep stress gradients at the fiber-matrix interface could be the primary cause of interface cracks after the processing of metallic and intermetallic matrix composites. New techniques have been evolved for: the microcharacterization of materials including microplastic strain and, point by point, the misorientation and plasticity for matrix composites; thermally induced stress measurements and load relaxation; the growth and characterization of metallic matrix composite interfaces; and for the growth of ferrite materials by pulsed laser deposition. The FAMU commitment to the HBCU Research Center also continues to be broad and deep.

Johnson, Joseph A., III↗

Route-Optimized Energy Management of Connected and Automated Multi-Mode Plug-In Hybrid Electric Vehicle Using Dynamic Programming

This paper presents a methodology to optimize the blending of charge-depleting (CD) and charge-sustaining (CS) modes in a multi-mode plug-in hybrid electric vehicle (PHEV) that reduces overall energy consumption when the selected route cannot be completely driven in all-electric mode. The PHEV used in this investigation is the second-generation Chevrolet Volt and as many as four instrumented vehicles were utilized simultaneously on road to acquire validation data. The optimization method used is dynamic programming (DP) paired with a reduced-order powertrain model to enable onboard embedded controller compatibility and computational efficiency in optimally blending CD, CS modes over the entire drive route. The objective of the optimizer is to enable future Connected and Automated Vehicles (CAVs) to best utilize onboard energy for minimum overall energy consumption based on speed and elevation profile information from Intelligent Transportation Systems (ITS), Internet of Things (IoT), High-definition Mapping, and onboard sensing technologies. Emphasis is placed on runtime minimization to quickly react and plan an optimal mode scheme in highly dynamic road conditions with minimal computational resources. On-road performance of the optimizer paired with automated CD and CS mode selection is evaluated on a fleet of four instrumented Chevrolet Volts in a variety of driving scenarios. Here, the results indicate variable energy savings depending on the drive route and initial battery SOC with potential ranging between 2 to 12% and less than 7 seconds initial optimization for a 24-mile drive cycle.

33 ADVANCED PROPULSION SYSTEMS↗

Big Data as a Service from an Urban Information System

Big Data has already proven itself as a valuable tool that lets geographers and urban researchers utilize large data re- sources to generate new insights. However, wider adoption of Big Data techniques in these areas is impeded by a number of difficulties in both knowledge discovery and data and sci- ence production. Typically users face such problems as dis- parate and scattered data, data management, spatial search- ing, insufficient computational capacity for data-driven anal- ysis and modelling, and the lack of tools to quickly visual- ize and summarize large data and analysis results. Here we propose an architecture for an Urban Information Sys- tem (UrbIS) that mitigates these problems by utilizing the Big Data as a Service (BDaaS) concept. With technolog- ical roots in High-performance Computing (HPC), BDaaS is based on the idea of outsourcing computations to dif- ferent computing paradigms, scalable to super-computers. UrbIS aims to incorporate federated metadata search, in- tegrated modeling and analysis, and geovisualization into a single seamless workflow. The system is under active devel- opment and is built around various emerging technologies that include hybrid and NoSQL databases, massively par- allel systems, GPGPU computing, and WebGL-based geo- graphic visualization. UrbIS is designed to facilitate using Big Data across multiple cities to better understand how ur- ban areas impact the environment and how climate change and other environmental change impact urban areas.

Sorokine, Alexandre↗

Assessing state-of-the-art capabilities for probing the atmospheric boundary layer: The XPIA field campaign

To assess current capabilities for measuring flow within the atmospheric boundary layer, including within wind farms, the U.S. Dept. of Energy sponsored the eXperimental Planetary boundary layer Instrumentation Assessment (XPIA) campaign at the Boulder Atmospheric Observatory (BAO) in spring 2015. Herein, we summarize the XPIA field experiment, highlight novel measurement approaches, and quantify uncertainties associated with these measurement methods. Line-of-sight velocities measured by scanning lidars and radars exhibit close agreement with tower measurements, despite differences in measurement volumes. Virtual towers of wind measurements, from multiple lidars or radars, also agree well with tower and profiling lidar measurements. Estimates of winds over volumes from scanning lidars and radars are in close agreement, enabling assessment of spatial variability. Strengths of the radar systems used here include high scan rates, large domain coverage, and availability during most precipitation events, but they struggle at times to provide data during periods with limited atmospheric scatterers. In contrast, for the deployment geometry tested here, the lidars have slower scan rates and less range, but provide more data during non-precipitating atmospheric conditions. Microwave radiometers provide temperature profiles with approximately the same uncertainty as Radio-Acoustic Sounding Systems (RASS). Using a motion platform, we assess motion-compensation algorithms for lidars to be mounted on offshore platforms. As a result, we highlight cases for validation of mesoscale or large-eddy simulations, providing information on accessing the archived dataset. We conclude that modern remote sensing systems provide a generational improvement in observational capabilities, enabling resolution of fine-scale processes critical to understanding inhomogeneous boundary-layer flows.

17 WIND ENERGY↗

A Performance Evaluation of the Cray X1 for Scientific Applications

The last decade has witnessed a rapid proliferation of superscalar cache-based microprocessors to build high-end capability and capacity computers because of their generality, scalability, and cost effectiveness. However, the recent development of massively parallel vector systems is having a significant effect on the supercomputing landscape. In this paper, we compare the performance of the recently-released Cray X1 vector system with that of the cacheless NEC SX-6 vector machine, and the superscalar cache-based IBM Power3 and Power4 architectures for scientific applications. Overall results demonstrate that the X1 is quite promising, but performance improvements are expected as the hardware, systems software, and numerical libraries mature. Code reengineering to effectively utilize the complex architecture may also lead to significant efficiency enhancements.

Oliker, Leonid↗

Xenon Recovery at Room Temperature using Metal-Organic Frameworks

Xenon is known to be a very efficient anesthetic gas but its cost prohibits the wider use in medical industry and other potential applications. It has been shown that Xe recovery and recycle from anesthetic gas mixture can significantly reduce its cost as anesthetic. The current technology uses series of adsorbent columns followed by low temperature distillation to recover Xe, which is expensive to use in medical facilities. Herein, we propose much efficient and simpler system to recover and recycle Xe from simulant exhale anesthetic gas mixture at room temperature using metal organic frameworks. Among the MOFs tested, PCN-12 exhibits unprecedented performance with high Xe capacity, Xe/N2 and Xe/O2 selectivity at room temperature. The in-situ synchrotron measurements suggest the Xe is occupied in the small pockets of PCN-12 compared to unsaturated metal centers (UMCs). Computational modeling of adsorption further supports our experimental observation of Xe binding sites in PCN-12.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗