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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A Brief Survey on High Performance Computing Systems Power Management

This paper provides a survey of software-based power management techniques in High Performance Computing (HPC) systems. Seven existing power management and monitoring tools and frameworks are discussed. These are: Variorum, dynamic energy-performance optimizer (DEPO), Powersched, Bull Dynamic Power Optimizer (BDPO), Energy Aware Runtime (EAR), Global Extensible Open Power Manager (GEOPM), and PoLiMEr. Each of these tools is evaluated based on hardware abstraction, optimization methods, usability, and experimental validation. This survey highlights the diversity of approaches in managing energy efficiency, from vendor-neutral APIs to algorithm-driven power capping, and dynamic frequency adjustments. Given that energy requirements for large computational systems is increasing quickly, the importance of integrating these tools into existing HPC environments and the need for further research in this rapidly evolving field is also discussed.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Profiling the BLAST bioinformatics application for load balancing on high-performance computing clusters

Abstract Background The Basic Local Alignment Search Tool (BLAST) is a suite of commonly used algorithms for identifying matches between biological sequences. The user supplies a database file and query file of sequences for BLAST to find identical sequences between the two. The typical millions of database and query sequences make BLAST computationally challenging but also well suited for parallelization on high-performance computing clusters. The efficacy of parallelization depends on the data partitioning, where the optimal data partitioning relies on an accurate performance model. In previous studies, a BLAST job was sped up by 27 times by partitioning the database and query among thousands of processor nodes. However, the optimality of the partitioning method was not studied. Unlike BLAST performance models proposed in the literature that usually have problem size and hardware configuration as the only variables, the execution time of a BLAST job is a function of database size, query size, and hardware capability. In this work, the nucleotide BLAST application BLASTN was profiled using three methods: shell-level profiling with the Unix “time” command, code-level profiling with the built-in “profiler” module, and system-level profiling with the Unix “gprof” program. The runtimes were measured for six node types, using six different database files and 15 query files, on a heterogeneous HPC cluster with 500+ nodes. The empirical measurement data were fitted with quadratic functions to develop performance models that were used to guide the data parallelization for BLASTN jobs. Results Profiling results showed that BLASTN contains more than 34,500 different functions, but a single function, RunMTBySplitDB, takes 99.12% of the total runtime. Among its 53 child functions, five core functions were identified to make up 92.12% of the overall BLASTN runtime. Based on the performance models, static load balancing algorithms can be applied to the BLASTN input data to minimize the runtime of the longest job on an HPC cluster. Four test cases being run on homogeneous and heterogeneous clusters were tested. Experiment results showed that the runtime can be reduced by 81% on a homogeneous cluster and by 20% on a heterogeneous cluster by re-distributing the workload. Discussion Optimal data partitioning can improve BLASTN’s overall runtime 5.4-fold in comparison with dividing the database and query into the same number of fragments. The proposed methodology can be used in the other applications in the BLAST+ suite or any other application as long as source code is available.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

High-performance strategies for the recent MRSF-TDDFT in GAMESS

Multiple ERI (Electron Repulsion Integral) tensor contractions (METC) with several matrices are ubiquitous in quantum chemistry. In response theories, the contraction operation, rather than ERI computations, can be the major bottleneck, as its computational demands are proportional to the multiplicatively combined contributions of the number of excited states and the kernel pre-factors. Here, this paper presents several high-performance strategies for METC. Optimal approaches involve either the data layout reformations of interim density and Fock matrices, the introduction of intermediate ERI quartet buffer, and loop-reordering optimization for a higher cache hit rate. The combined strategies remarkably improve the performance of the MRSF (mixed reference spin flip)-TDDFT (time-dependent density functional theory) by nearly 300%. The results of this study are not limited to the MRSF-TDDFT method and can be applied to other METC scenarios.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

SpotSDC: Revealing the Silent Data Corruption Propagation in High-Performance Computing Systems

We report the trend of rapid technology scaling is expected to make the hardware of high-performance computing (HPC) systems more susceptible to computational errors due to random bit flips. Some bit flips may cause a program to crash or have a minimal effect on the output, but others may lead to silent data corruption (SDC), i.e., undetected yet significant output errors. Classical fault injection analysis methods employ uniform sampling of random bit flips during program execution to derive a statistical resiliency profile. However, summarizing such fault injection result with sufficient detail is difficult, and understanding the behavior of the fault-corrupted program is still a challenge. In this article, we introduce SpotSDC, a visualization system to facilitate the analysis of a program's resilience to SDC. SpotSDC provides multiple perspectives at various levels of detail of the impact on the output relative to where in the source code the flipped bit occurs, which bit is flipped, and when during the execution it happens. SpotSDC also enables users to study the code protection and provide new insights to understand the behavior of a fault-injected program. Based on lessons learned, we demonstrate how what we found can improve the fault injection campaign method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Design of High-Performance Photon-Number-Resolving Photodetectors Based on Coherently Interacting Nanoscale Elements

A number of applications in basic science and technology would benefit from high-fidelity photon-number-resolving photodetectors. While some recent experimental progress has been made in this direction, the requirements for true photon number resolution are stringent, and no design currently exists that achieves this goal. Here we employ techniques from fundamental quantum optics to demonstrate that detectors composed of subwavelength elements interacting collectively with the photon field can achieve high-performance photon number resolution. We propose a new design that simultaneously achieves photon number resolution, high efficiency, low jitter, low dark counts, and high count rate. Finally, we discuss specific systems that satisfy the design requirements, pointing to the important role of nanoscale device elements.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Towards elastic in situ analysis for high-performance computing simulations

In situ analysis and visualization have grown increasingly popular for enabling direct access to data from high-performance computing (HPC) simulations. As a simulation progresses and interesting physical phenomena emerge, however, the data produced may become increasingly complex, and users may need to dynamically change the type and scale of in situ analysis tasks being carried out and consequently adapt the amount of resources allocated to such tasks. To date, none of the production in situ analysis frameworks offer such an elasticity feature, and for good reason: the assumption that the number of processes could vary during run time would force developers to rethink software and algorithms at every level of the in situ analysis stack. In this paper we present Colza, a data staging service with elastic in situ visualization capabilities. We demonstrate the use of Colza with the Deep Water Impact and the AMR-Wind simulations, coupling them with the ParaView Catalyst and Ascent in situ libraries, and show that Colza enables dynamic rescaling of these widely-used frameworks with no interruption to the simulation or staging service. Here, we highlight the challenges of enabling such elasticity, which requires overcoming these frameworks' reliance on MPI, using distinct engineering approaches, namely dependency injection and dependency overload. To the best of our knowledge, this work is the first to enable elastic in situ visualization capabilities for HPC applications on top of existing production analysis tools.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Recent Developments in High-Performance Membranes for CO 2 Separation

In this perspective article, we provide a detailed outlook on recent developments of high-performance membranes used in CO 2 separation applications. A wide range of membrane materials including polymers of intrinsic microporosity, thermally rearranged polymers, metal–organic framework membranes, poly ionic liquid membranes, and facilitated transport membranes were surveyed from the recent literature. In addition, mixed matrix and polymer blend membranes were covered. The CO 2 separation performance, as well as other membrane properties such as film flexibility, processibility, aging, and plasticization, were analyzed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Enabling Structure/Interface Regulation for High Performance Ni-Rich Cathodes

Here, further commercialization of Ni-rich layered cathodes is hindered by severe structure/interface degradation and kinetic hindrance that occur during electrochemical operation, which leads to safety risks and reduced range in electric vehicles (EVs). Herein, by selecting elements with different solubility properties, a multifunctional strategy that synchronously fabricates perovskite-type SrZrO 3 coating and Sr/Zr co-doping is employed to strengthen the structure/interface stability and the Li + transport mobility of LiNi 0.85 Co 0.10 Mn 0.05 O 2 (NCM). Perovskite-type SrZrO 3 protective layers formed on the particle surface can substantially mitigate the unexpected interfacial side reactions and surface phase transitions. In addition, a robust crystal framework is constructed by optimizing local O coordination through the introduction of strong Zr-O bonds. Notably, Li + diffusion kinetics is effectively improved due to expanded cell parameters and O-Li-O slab spacing with the incorporation of large-diameter Sr pillar ions, as revealed by X-ray diffraction. As a result, the Sr/Zr-modified NCM achieves a remarkable capacity retention of 99.4% after 200 cycles at 1 C, and a high rate capacity of 168.9 mAh g -1 at 10 C. This work opens new avenues to develop high-performance NCM cathodes with high energy and high power for EVs with long calendar life.

25 ENERGY STORAGE↗
DOE OSTI2021

Facile Synthesis of Micrometer-sized Hierarchical Porous Si@C Anodes for High-Performance Lithium-Ion Batteries

Extensive studies have been conducted to determine if replacing graphite anodes with silicon is feasible since silicon possesses a high capacity and is an abundant resource; however, Si anodes suffer significant volume changes during cycling, which pulverizes its structure and subsequently causes rapid capacity fading. We used SiO2 nanoparticles (nSiO2) and low-cost coal-derived humic acid as a feedstock to synthesize high performance Si-C anodes for Li-ion Batteries through spray drying, calcination, and magnesiothermic reductions. Our Si-C anodes features micrometer-sized porous Si coated with a graphitized carbon shell (mpSi@C). The hierarchical graphitized carbon shell and porous silicon structure relieve the mechanical stress of the Si phase upon cycling, which stabilizes the structure. This mpSi@C composite design allows for a high initial discharge capacity of 2199.9 mAh g-1 at 0.1 A g-1 and a cycling performance of 68% capacity retention after 100 cycles at 1.0 A g-1. The multipoint contact between the Si anode and C structure allows for a remarkable performance rate of 566.3 mAh g-1 at 5.0 A g-1.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Mechanical and durability properties of ultra-high-performance concrete of spent nuclear fuel dry storage systems: a review

Dry storage systems are used for interim storage of spent nuclear fuel (SNF). However, with the growing need to extend the operational periods of these systems, there are concerns about the degradation of their concrete overpacks, which could compromise the system's structural integrity and safety during hazardous events. Traditional concrete mixtures used in SNF dry storage systems have remained largely unchanged since their inception and often use conventional ingredients. These materials are susceptible to degradation mechanisms such as chemical attacks, alkali-silica reactions (ASR), and freeze–thaw cycles, which can lead to a loss of strength and durability over time. To address these challenges, this paper reviews the application of ultra-high-performance concrete (UHPC) as a promising alternative for spent nuclear fuel dry storage system overpacks. UHPC offers superior mechanical properties, exceptional durability, and reduced susceptibility to degradation mechanisms compared to conventional concrete. This paper focuses on the role of supplementary cementitious materials (SCMs) such as silica fume, fly ash, and metakaolin in enhancing UHPC performance for SNF storage applications. These SCMs have been shown to significantly improve the material’s microstructure, strength, and resistance to environmental stressors typically encountered in SNF storage environments. Moreover, incorporating SCMs supports sustainable construction by reducing cement consumption and associated carbon emissions. The review brings together existing research and experimental data, providing insights for engineers and researchers on developing UHPC mixtures that meet the rigorous demands of spent nuclear fuel dry storage systems, extending their service life and minimizing inspection intervals.

36 - MATERIALS SCIENCE↗
DOE OSTI2024

A High-Performance Discrete-Element Framework for Simulating Flow and Jamming of Moisture Bearing Biomass Feedstocks

We developed and verified a high-performance open-source discrete element method (DEM) solver with simultaneously-supported feedstock-specific interaction models, including bonded-sphere, liquid bridge, cohesion, and non-linear contact models. Our solver uses parallel data structures on hybrid central and graphics processing unit (CPU/GPU) architectures, with favorable strong scaling performance observed for large problem sizes comprised of (100 M particles), and 4X single-node GPU speedup. The particles for corn stover feedstock were conceptualized and calibrated based on experimental measurements and results. Sensitivity analyses demonstrate that the mass flow rate from a wedge hopper is governed primarily by moisture content, friction coefficient, and cohesion energy density. The model is used to reproduce experimentally observed hopper jamming results, highlighting that the experimental no-flow trends can only be achieved by using non-spherical particles, liquid bridge and cohesion models, highlighting the importance of using concurrent feedstock specialized models for the effective representation of biomass material handling problems.

bioenergy↗
DOE OSTI2023

Single polymer sorbent fibers for high performance and rapid direct air capture

Polymers of intrinsic microporosity (PIM) fibers featuring amidoxime and amine functionalities were formulated into high-performance CO 2 adsorbents. Fiber sorbents were composed of a single porous polymer component functionalized with molecular amines to increase the CO 2 capture uptake and kinetics. Here we report the highest CO 2 uptake capacity (3.3 wt% (0.8 mmol g –1 ) CO 2 at 400 ppm) among all PIM-based and single polymeric sorbents to date. Moreover, the sorbents exhibited rapid CO 2 adsorption rates (capturing 90% of its total capacity within 7 min.) and cost efficient and reproducible regeneration (at 70 °C) which are essential for reducing the cost of direct air capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Replicated Computational Results (RCR) Report for “Adaptive Precision Block-Jacobi for High Performance Preconditioning in the Ginkgo Linear Algebra Software”

The article by Flegar et al. titled “Adaptive Precision Block-Jacobi for High Performance Preconditioning in the Ginkgo Linear Algebra Software” presents a novel, practical implementation of an adaptive precision block-Jacobi preconditioner. Performance results using state-of-the-art GPU architectures for the block-Jacobi preconditioner generation and application demonstrate the practical usability of the method, compared to a traditional full-precision block-Jacobi preconditioner. A production-ready implementation is provided in the Ginkgo numerical linear algebra library. In this report, the Ginkgo library is reinstalled and performance results are generated to perform a comparison to the original results when using Ginkgo’s Conjugate Gradient solver with either the full or the adaptive precision block-Jacobi preconditioner for a suite of test problems on an NVIDIA GPU accelerator. After completing this process, the published results are deemed reproducible.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Flexspander: augmenting expander networks in high-performance systems with optical bandwidth steering

Communication efficiency is one of the deciding factors in determining many of today’s high-performance computing (HPC) applications. Traditionally, HPC systems have been on static network topologies, making them inflexible to the variety of skewed traffic demands that may arise due to the spatial locality inherent in many applications. To handle traffic locality, researchers have proposed integrating optical circuit switches (OCSs) into the network architecture, which reconfigures the network topology to alter and dynamically adapt to the predicted traffic. In this paper, we present a novel reconfigurable network topology called Flexspander. Beyond offering a flexible interconnect, Flexspander also offers full flexibility in terms of construction and can be built with any arbitrary combination of commercial electrical packet switches and OCSs. We evaluate Flexspander performance through extensive simulations with multiple network traces, and our results show improved performance for Flexspander over currently proposed static and reconfigurable topologies in terms of the flow completion time.

Teh, Min Yee↗
DOE OSTI2025

Survey-wide asteroid discovery with a high-performance computing enabled non-linear digital tracking framework

Modern astronomical surveys detect asteroids by linking together their appearances across multiple images taken over time. This approach faces limitations in detecting faint asteroids and handling the computational complexity of trajectory linking. Here, we present a novel method that adapts “digital tracking” – traditionally used for short-term linear asteroid motion across images – to work with large-scale synoptic surveys such as the Vera Rubin Observatory Legacy Survey of Space and Time (Rubin/LSST). Our approach combines hundreds of sparse observations of individual asteroids across their non-linear orbital paths to enhance detection sensitivity by several magnitudes. To address the computational challenges of processing massive data sets and dense orbital phase spaces, we developed a specialized high-performance computing architecture. We demonstrate the effectiveness of our method through experiments that take advantage of the extensive computational resources at Lawrence Livermore National Laboratory. This work enables the detection of significantly fainter asteroids in existing and future survey data, potentially increasing the observable asteroid population by orders of magnitude across different orbital families, from near-Earth objects (NEOs) to Kuiper belt objects (KBOs).

Asteroid discovery↗