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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Preparing MPICH for exascale

The advent of exascale supercomputers heralds a new era of scientific discovery, yet it introduces significant architectural challenges that must be overcome for MPI applications to fully exploit its potential. Among these challenges is the adoption of heterogeneous architectures, particularly the integration of GPUs to accelerate computation. Additionally, the complexity of multithreaded programming models has also become a critical factor in achieving performance at scale. The efficient utilization of hardware acceleration for communication, provided by modern NICs, is also essential for achieving low latency and high throughput communication in such complex systems. In response to these challenges, the MPICH library, a high-performance and widely used Message Passing Interface (MPI) implementation, has undergone significant enhancements. Here, this paper presents four major contributions that prepare MPICH for the exascale transition. First, we describe a lightweight communication stack that leverages the advanced features of modern NICs to maximize hardware acceleration. Second, our work showcases a highly scalable multithreaded communication model that addresses the complexities of concurrent environments. Third, we introduce GPU-aware communication capabilities that optimize data movement in GPU-integrated systems. Finally, we present a new datatype engine aimed at accelerating the use of MPI derived datatypes on GPUs. These improvements in the MPICH library not only address the immediate needs of exascale computing architectures but also set a foundation for exploiting future innovations in high-performance computing. By embracing these new designs and approaches, MPICH-derived libraries from HPE Cray and Intel were able to achieve real exascale performance on OLCF Frontier and ALCF Aurora respectively.

Guo, Yanfei [Argonne National Laboratory (ANL), Ar↗
DOE OSTI2025

Bridging the Gap Between Modern UX Design and Particle Accelerator Control Room Interfaces

Accelerator control systems often represent relatively complex and safety-sensitive human-machine interfaces within process control industries. These systems are technically robust and reflect the cumulative integration of solutions built and adapted across decades. One of the regular, unfortunate casualties of provisional accelerator control system updates is their human-system interfaces (HSIs) which often lag behind modern usability and design standards. An additional challenge is that although there is a multitude of established human factors (HF), and user experience (UX) principles for everyday digital applications, there are very few (if any) established principles for complex and safety-critical applications for an accelerator. This paper argues for the importance of established HF and UX principles (herein referred to as human-centered design principles) into the development of accelerator HSIs, emphasizing the need for clarity, consistency, responsiveness, and cognitive accessibility. Drawing from HF/UX best practices and human-centered design, this paper discusses how these approaches can enhance operator performance, reduce human error, and improve accelerator personnel collaboration. Case studies from Accelerator Control Operations Research Network (ACORN) at Fermilab are explored to demonstrate how interfaces built with human-centered design principles can scale with system complexity while remaining intuitive and efficient for diverse user roles including operators, machine experts, and engineers. By bridging the gap between traditional control system design and modern human-centered design methods, this paper provides a roadmap for evolving accelerator HSIs into more usable, maintainable, and effective tools.

Hill, Rachael [Idaho Natl. Lab.]↗
NASA NTRS1985

Simulation of EAS properties on the basis of high energy interaction model deduced from the accelerator data

Calculations of extensive air showers in atmosphere were performed using formulae describing p-p and p-air nucleus interactions. The formulae fitted to the accelerator data were extrapolated taking the same trend up to 10 to the 16 eV. Above that energy it was assumed that the degree of scaling violating/alpha-parameter/ is saturating or even decreasing. The latter assumption follows from earlier work where it was found that without this restriction shower maxima at the highest energies are located too high in the atmosphere. Results of calculations have been compared with experimental data. The comparison was made separately for the curves obtained from the so called equal intensity cuts and for the Cerenkov data.

Kubiak, G.↗
DOE OSTI2020

The performance evaluation of direct detection electron energy-loss spectroscopy at 200 kV and 80 kV accelerating voltages

Direct electron detectors (DeDs) have been widely used for imaging studies because of their higher beam sensitivity, lower noise, improved pixel resolution, etc. However, there have been limited studies related to the performance in spectroscopic applications for the direct electron detection. Hereby, taking the advantage of the DeD installed on a high-performance electron energy-loss spectrometer, we systematically studied the performance of a DeD (Gatan's K2 IS) fitted on an aberration-corrected transmission electron microscope (TEM) equipped with an electron monochromator. Using SrTiO3 as the model system, the point spread function in the zero-loss region of the spectrum and the performance for core loss spectroscopy have been investigated under both 200 kV and 80 kV operating conditions. We demonstrate that the K2 detector can achieve an overall better performance at 200 kV than a charge coupled device (CCD) detector. At 80 kV, the K2 DeD is still better than a CCD, except for the relative broad tails of the zero-loss peak. The signal-to-noise ratio is very close for DeD and CCD under 80 kV. Based on our data obtained at different operating voltages, it is clear that DeD will benefit the microscopy community and boost the development of cutting-edge materials science studies by pushing the frontiers in electron energy-loss spectroscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

High-Performance Deep Learning Toolbox for Genome-Scale Prediction of Protein Structure and Function

Computational biology is one of many scientific disciplines ripe for innovation and acceleration with the advent of high-performance computing (HPC). In recent years, the field of machine learning has also seen significant benefits from adopting HPC practices. In this work, we present a novel HPC pipeline that incorporates various machine-learning approaches for structure-based functional annotation of proteins on the scale of whole genomes. Our pipeline makes extensive use of deep learning and provides computational insights into best practices for training advanced deep-learning models for high-throughput data such as proteomics data. We showcase methodologies our pipeline currently supports and detail future tasks for our pipeline to envelop, including large-scale sequence comparison using SAdLSA and prediction of protein tertiary structures using AlphaFold2.

Gao, Mu↗
DOE OSTI2021

GPU-Accelerated Machine Learning Inference as a Service for Computing in Neutrino Experiments

Machine learning algorithms are becoming increasingly prevalent and performant in the reconstruction of events in accelerator-based neutrino experiments. These sophisticated algorithms can be computationally expensive. At the same time, the data volumes of such experiments are rapidly increasing. The demand to process billions of neutrino events with many machine learning algorithm inferences creates a computing challenge. We explore a computing model in which heterogeneous computing with GPU coprocessors is made available as a web service. The coprocessors can be efficiently and elastically deployed to provide the right amount of computing for a given processing task. With our approach, Services for Optimized Network Inference on Coprocessors (SONIC), we integrate GPU acceleration specifically for the ProtoDUNE-SP reconstruction chain without disrupting the native computing workflow. With our integrated framework, we accelerate the most time-consuming task, track and particle shower hit identification, by a factor of 17. This results in a factor of 2.7 reduction in the total processing time when compared with CPU-only production. For this particular task, only 1 GPU is required for every 68 CPU threads, providing a cost-effective solution.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1972

Performance and control study of a low-pressure-ratio turbojet engine for a drone aircraft

The results of analog and digital computer studies of a low-pressure-ratio turbojet engine system for use in a drone vehicle are presented. The turbojet engine consists of a four-stage axial compressor, single-stage turbine, and a fixed area exhaust nozzle. Three simplified fuel schedules and a generalized parameter fuel control for the engine system are presented and evaluated. The evaluation is based on the performance of each schedule or control during engine acceleration from a windmill start at Mach 0.8 and 6100 meters to 100 percent corrected speed. It was found that, because of the higher acceleration margin permitted by the control, the generalized parameter control exhibited the best dynamic performance.

Seldner, K.↗
DOE OSTI2020

Online multi-objective particle accelerator optimization of the AWAKE electron beam line for simultaneous emittance and orbit control

Multi-objective optimization is important for particle accelerators where various competing objectives must be satisfied routinely such as, for example, transverse emittance vs bunch length. We develop and demonstrate an online multi-time scale multi-objective optimization algorithm that performs real time feedback on particle accelerators. We demonstrate the ability to simultaneously minimize the emittance and maintain a reference trajectory of a beam in the electron beamline in CERN’s Advanced Proton Driven Plasma Wakefield Acceleration Experiment.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Mixed-Precision S/DGEMM Using the TF32 and TF64 Frameworks on Low-Precision AI Tensor Cores

Using NVIDIA graphics processing units (GPUs) equipped with Tensor Cores has enabled the significant acceleration of general matrix multiplication (GEMM) for applications in machine learning (ML) and artificial intelligence (AI) and in high-performance computing (HPC) generally. The use of such power-efficient, specialized accelerators can provide a performance increase between 8 × and 20 ×, albeit with a loss in precision. However, a high level of precision is required in many large scientific and HPC applications, and computing in single or double precision is still necessary for many of these applications to maintain accuracy. Fortunately, mixed-precision methods can be employed to maintain a higher level of numerical precision while also taking advantage of the performance increases from computing with lower-precision AI cores. With this in mind, we extend the state of the art by using NVIDIA’s new TF32 framework. This new framework not only burdens some constraints of the previous frameworks, such as costly 32 16-bit castings but also provides an equivalent precision and performance by using a much simpler approach. We also propose a new framework called TF64 that attempts double-precision arithmetic with low-precision Tensor Cores. Although this framework does not exist yet, we validated the correctness of this idea and achieved an equivalent of 64-bit precision on 32-bit hardware.

Valero Lara, Pedro↗
DOE OSTI2021

PACT Data Management Plan (V.1.0)

The Perovskite PV Accelerator for Commercial Technology (PACT) is an independent validation center for the evaluation of perovskite PV technologies and their bankability. The center is led by Sandia National Laboratories and the National Renewable Energy Laboratory (NREL) and includes as part of its team Los Alamos National Laboratory (LANL), CFV Labs, Black and Veatch (B&V), and the Electric Power Research Institute (EPRI). The goals of the center are to: Develop and improve indoor and outdoor performance characterization methods, Develop and validate accelerated qualification testing for early failures (5-10 years), Research degradation and failure modes, Validate outdoor performance, and Provide bankability services to US perovskite PV (PSC) industry. The importance of data and data management to the success and outcomes of the PACT center is paramount. This report describes how data will be managed and protected by PACT and identifies important data management principles that will guide our approach.

14 SOLAR ENERGY↗
DOE OSTI2025

A GPU‐Accelerated Generative Adversarial Model for Causal Inference

We develop a GPU-accelerated machine learning generative adversarial model designed to facilitate causal inferences from observational data. Our model's theoretical framework is conceptualized in a manner that is amenable to being operable and scalable for high-performance computing platforms. We leverage GPU acceleration to develop a parallel evolutionary algorithm to achieve large-scale parallel computation of the model within a now widely accessible computing platform. This capability both enhances computational speedup and efficiency and also extends the use of the model to a broader range of substantive research domains while maintaining the underlying theoretical properties of the model.

GPU↗
NASA NTRS2004

Magnetic-Nozzle Studies for Fusion Propulsion Applications: Gigawatt Plasma Source Operation and Magnetic Nozzle Analysis

This project has been a multiyear effort to assess the feasibility of a key process inherent to virtually all fusion propulsion concepts: the expansion of a fusion-grade plasma through a diverging magnetic field. Current fusion energy research touches on this process only indirectly through studies of plasma divertors designed to remove the fusion products from a reactor. This project was aimed at directly addressing propulsion system issues, without the expense of constructing a fusion reactor. Instead, the program designed, constructed, and operated a facility suitable for simulating fusion reactor grade edge plasmas, and to examine their expansion in an expanding magnetic nozzle. The approach was to create and accelerate a dense (up to l0(exp 20)/m) plasma, stagnate it in a converging magnetic field to convert kinetic energy to thermal energy, and examine the subsequent expansion of the hot (100's eV) plasma in a subsequent magnetic nozzle. Throughout the project, there has been a parallel effort between theoretical and numerical design and modelling of the experiment and the experiment itself. In particular, the MACH2 code was used to design and predict the performance of the magnetoplasmadynamic (MPD) plasma accelerator, and to design and predict the design and expected behavior for the magnetic field coils that could be added later. Progress to date includes the theoretical accelerator design and construction, development of the power and vacuum systems to accommodate the powers and mass flow rates of interest to out research, operation of the accelerator and comparison to theoretical predictions, and computational analysis of future magnetic field coils and the expected performance of an integrated source-nozzle experiment.

Gilland, James H.↗
DOE OSTI2024

Experimental Safe Extremum Seeking for Accelerators

Here, we demonstrate the recent designs of safe extremum seeking (Safe ES) on the 1-km-long charged particle accelerator at the Los Alamos Neutron Science Center (LANSCE). Safe ES is a modification of extremum seeking (ES) which, in addition to minimizing an analytically unknown cost, also employs a safety filter based on an analytically unknown control barrier function (CBF) safety metric. Tuning is necessitated by accelerators being large complex systems, with many drifting parameters due to thermal effects and degradation. At the same time, safe operation (the maintenance of state constraints) is crucial, as damage brings astronomical costs, both financially and in operation downtime. Our measured (but analytically unknown) safety metric is the beam current. We perform multivariable Safe ES on three accelerator applications, in which we adapt 4, 6, and 3 magnet strength parameters, respectively. Two of the three applications are for validated simulation models of beamlines at LANSCE: the first for the proton radiography (pRad) beamline of 800-MeV protons for spot size tuning; the second on a high-performance code, HPSim, for tuning the low-energy beam transport (LEBT) region that contains a beam of 750-keV protons. The third is an experimental tuning of the steering magnets in the LEBT at LANSCE.

43 PARTICLE ACCELERATORS↗
NASA NTRS1982

Durability of spacecraft materials

Research efforts are reviewed on the space durability of materials, including radiation effects on polymer matrix composites and films, dimensional stability of polymer matrix composites and tension-stabilized cables, and thermal control coatings. Research to date has concentrated on establishing a fundamental understanding of space environmental effects on current graphite-reinforced composites and polymer systems, and development of analytical models to explain observed changes in mechanical, physical, and optical properties. As a result of these research efforts, new experimental facilities have been developed to simulate the space environment and measure the observed property changes. Chemical and microstructural analyses have also been performed to establish damage mechanisms and the limits for accelerated testing. The implications of these results on material selection and system performance are discussed and additional research needs and opportunities in the area of tougher resin/matrix and metal/matrix composites are identified.

Darrel R. Tenney↗
NASA NTRS1983

Spacecraft materials research: A NASA perspective

This paper reviews NASA's spacecraft materials research program. This is a multicenter program and includes research in the following areas: space environmental effects on materials, low expansion composites, fatigue and fracture of composites, thermal control coatings, and contamination. Research to date has concentrated on current graphite-reinforced composites and polymer systems, and developing analytical models to explain observed changes in mechanical, physical, and optical properties. As a result of these research efforts, new experimental facilities have been developed to simulate the space environment and measure the observed property changes. Chemical and microstructural analyses have also been performed to establish damage mechanisms and the limits for accelerated testing. The implications of these results on material selection and system performance are discussed, and additional research needs and opportunities in the area of tougher resin/matrix and metal/matrix composites are identified.

Tenny, D. R.↗
NASA NTRS2007

A Case Study Using Modeling and Simulation to Predict Logistics Supply Chain Issues

Optimization of critical supply chains to deliver thousands of parts, materials, sub-assemblies, and vehicle structures as needed is vital to the success of the Constellation Program. Thorough analysis needs to be performed on the integrated supply chain processes to plan, source, make, deliver, and return critical items efficiently. Process modeling provides simulation technology-based, predictive solutions for supply chain problems which enable decision makers to reduce costs, accelerate cycle time and improve business performance. For example, United Space Alliance, LLC utilized this approach in late 2006 to build simulation models that recreated shuttle orbiter thruster failures and predicted the potential impact of thruster removals on logistics spare assets. The main objective was the early identification of possible problems in providing thruster spares for the remainder of the Shuttle Flight Manifest. After extensive analysis the model results were used to quantify potential problems and led to improvement actions in the supply chain. Similarly the proper modeling and analysis of Constellation parts, materials, operations, and information flows will help ensure the efficiency of the critical logistics supply chains and the overall success of the program.

Tucker, David A.↗
NASA NTRS1978

Sensitivity of 30-cm mercury bombardment ion thruster characteristics to accelerator grid design

The design of ion optics for bombardment thrusters strongly influences overall performance and lifetime. The operation of a 30 cm thruster with accelerator grid open area fractions ranging from 43 to 24 percent, was evaluated and compared with experimental and theoretical results. Ion optics properties measured included the beam current extraction capability, the minimum accelerator grid voltage to prevent backstreaming, ion beamlet diameter as a function of radial position on the grid and accelerator grid hole diameter, and the high energy, high angle ion beam edge location. Discharge chamber properties evaluated were propellant utilization efficiency, minimum discharge power per beam amp, and minimum discharge voltage.

Rawlin, V. K.↗
NASA NTRS1978

Sensitivity of 30-cm mercury bombardment ion thruster characteristics to accelerator grid design

The design of ion optics for bombardment thrusters strongly influences overall performance and lifetime. The operation of a 30-cm thruster with accelerator grid open area fractions ranging from 43 to 24 percent, was evaluated and compared with previously published experimental and theoretical results. Ion optics properties measured included the beam current extraction capability, the minimum accelerator grid voltage to prevent backstreaming, ion beamlet diameter as a function of radial position on the grid and accelerator grid hole diameter, and the high energy, high angle ion beam edge location. Discharge chamber properties evaluated were propellant utilization efficiency, minimum discharge power per beam amp, and minimum discharge voltage.

Rawlin, V. K.↗