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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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NASA NTRS1986

Rapid prototyping facility for flight research in artificial-intelligence-based flight systems concepts

The Dryden Flight Research Facility of the NASA Ames Research Facility of the NASA Ames Research Center is developing a rapid prototyping facility for flight research in flight systems concepts that are based on artificial intelligence (AI). The facility will include real-time high-fidelity aircraft simulators, conventional and symbolic processors, and a high-performance research aircraft specially modified to accept commands from the ground-based AI computers. This facility is being developed as part of the NASA-DARPA automated wingman program. This document discusses the need for flight research and for a national flight research facility for the rapid prototyping of AI-based avionics systems and the NASA response to those needs.

Duke, E. L.↗

NASA NTRS1989

A rapid prototyping facility for flight research in advanced systems concepts

Duke, Eugene L.↗

NASA NTRS1981

Analytical prediction and experimental verification of performance at various operating conditions of a dual-mode traveling wave tube with multistage depressed collectors

A comparison of analytical and experimental results is presented for a high performance dual-mode traveling wave tube (TWT) operated over a wide range conditions. The computations are carried out with advanced multidimensional computer programs. These programs 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 refocusing system to their points of impacts in the depressed collector. TWT performance, collector efficiency, and collector current distribution are computed and compared with measurements. Very good agreement was obtained between computed and measured TWT performance and collector efficiencies, and the computer design of a highly efficient collector was demonstrated.

Dayton, J. A., Jr.↗

NASA NTRS2019

High Performance Spacecraft Computing (HPSC) Middleware Update

High Performance Spacecraft Computing (HPSC) is a joint project between the National Aeronautics and Space Administration (NASA) and Air Force Research Lab (AFRL) to develop a high-performance multi-core radiation hardened flight processor. HPSC offers a new flight computing architecture to meet the needs of NASA missions through 2030 and beyond. Providing on the order of 100X the computational capacity of current flight processors for the same amount of power, the multicore architecture of the HPSC processor, or "Chiplet" provides unprecedented flexibility in a flight computing system by enabling the operating point to be set dynamically, trading among needs for computational performance, energy management and fault tolerance. The HPSC Chiplet is being developed by Boeing under contract to NASA, and is expected to provide prototypes, an evaluation board, system emulators, comprehensive system software, and a software development kit. In addition to the vendor deliverables, the AFRL is funding the development of a flexible Middleware to be developed by NASA Jet Propulsion Laboratory and NASA Goddard Space Flight Center. The HPSC Middleware provides a suite of thirteen high level services to manage the compute, memory and I/O resources of this complex device.This presentation will provide an HPSC project update, an overview of the latest HPSC System Software release, an overview of HPSC Middleware Release 2, and a preview of the third HPSC Middleware release. The presentation will begin with a project update that will provide a look at the high-level changes since the project was introduced at the Flight Software Workshop last year. Next, the presentation will provide an overview of the current suite of HPSC System Software which includes the vendor provided bootloaders, operating systems, emulator, and development tools. Next, the HPSC Middleware progress will be presented, which includes an overview of the features and capabilities of HPSC Middleware Release 2, followed by a look at the reference flight software applications which utilize the Middleware. Finally, the presentation will give a preview of the HPSC Middleware Release 3.

Cudmore, Alan↗

NASA NTRS1975

Automated maintenance for complex hybrid systems

Digital computer, Control Computer Subsystem (CCS), possess high degree of fault tolerance. CCS embodies concepts of self-test and repair. It is capable of monitoring its own performance and of identifying and replacing with standby spare any of its units that fail.

Gilley, G. C.↗

NASA NTRS1982

Balloon-borne scanning spectrometer system for atmospheric extinction studies in the 350-1100 nm spectral region

A scanning spectrometer system which is capable of being flown in high-altitude balloon studies of the earth's atmosphere is presented. The instrument is small, has a large operative wavelength range of 350-1100 nm, high data density, and real-time data telemetry to ground. A computer software package is used to provide a real-time monitor of balloon gondola and instrument performance, with the software reliability enhanced by proof of correctness techniques and exhibiting the high degree of reliability necessary for the monitoring system.

Thompson, D. A.↗

NASA NTRS2000

NPSS on NASA's IPG: Using CORBA and Globus to Coordinate Multidisciplinary Aeroscience Applications

Within NASA's High Performance Computing and Communication (HPCC) program, the NASA Glenn Research Center is developing an environment for the analysis/design of aircraft engines called the Numerical Propulsion System Simulation (NPSS). The vision for NPSS is to create a "numerical test cell" enabling full engine simulations overnight on cost-effective computing platforms. To this end, NPSS integrates multiple disciplines such as aerodynamics, structures, and heat transfer and supports "numerical zooming" between O-dimensional to 1-, 2-, and 3-dimensional component engine codes. In order to facilitate the timely and cost-effective capture of complex physical processes, NPSS uses object-oriented technologies such as C++ objects to encapsulate individual engine components and CORBA ORBs for object communication and deployment across heterogeneous computing platforms. Recently, the HPCC program has initiated a concept called the Information Power Grid (IPG), a virtual computing environment that integrates computers and other resources at different sites. IPG implements a range of Grid services such as resource discovery, scheduling, security, instrumentation, and data access, many of which are provided by the Globus toolkit. IPG facilities have the potential to benefit NPSS considerably. For example, NPSS should in principle be able to use Grid services to discover dynamically and then co-schedule the resources required for a particular engine simulation, rather than relying on manual placement of ORBs as at present. Grid services can also be used to initiate simulation components on parallel computers (MPPs) and to address inter-site security issues that currently hinder the coupling of components across multiple sites. These considerations led NASA Glenn and Globus project personnel to formulate a collaborative project designed to evaluate whether and how benefits such as those just listed can be achieved in practice. This project involves firstly development of the basic techniques required to achieve co-existence of commodity object technologies and Grid technologies; and secondly the evaluation of these techniques in the context of NPSS-oriented challenge problems. The work on basic techniques seeks to understand how "commodity" technologies (CORBA, DCOM, Excel, etc.) can be used in concert with specialized "Grid" technologies (for security, MPP scheduling, etc.). In principle, this coordinated use should be straightforward because of the Globus and IPG philosophy of providing low-level Grid mechanisms that can be used to implement a wide variety of application-level programming models. (Globus technologies have previously been used to implement Grid-enabled message-passing libraries, collaborative environments, and parameter study tools, among others.) Results obtained to date are encouraging: we have successfully demonstrated a CORBA to Globus resource manager gateway that allows the use of CORBA RPCs to control submission and execution of programs on workstations and MPPs; a gateway from the CORBA Trader service to the Grid information service; and a preliminary integration of CORBA and Grid security mechanisms. The two challenge problems that we consider are the following: 1) Desktop-controlled parameter study. Here, an Excel spreadsheet is used to define and control a CFD parameter study, via a CORBA interface to a high throughput broker that runs individual cases on different IPG resources. 2) Aviation safety. Here, about 100 near real time jobs running NPSS need to be submitted, run and data returned in near real time. Evaluation will address such issues as time to port, execution time, potential scalability of simulation, and reliability of resources. The full paper will present the following information: 1. A detailed analysis of the requirements that NPSS applications place on IPG. 2. A description of the techniques used to meet these requirements via the coordinated use of CORBA and Globus. 3. A description of results obtained to date in the first two challenge problems.

Lopez, Isaac↗

DOE OSTI2025

Sub-microsecond Transformers for Jet Tagging on FPGAs

We present the first sub-microsecond transformer implementation on an FPGA achieving competitive performance for state-of-the-art high-energy physics benchmarks. Transformers have shown exceptional performance on multiple tasks in modern machine learning applications, including jet tagging at the CERN Large Hadron Collider (LHC). However, their computational complexity prohibits use in real-time applications, such as the hardware trigger system of the collider experiments up until now. In this work, we demonstrate the first application of transformers for jet tagging on FPGAs, achieving $\mathcal{O}(100)$ nanosecond latency with superior performance compared to alternative baseline models. We leverage high-granularity quantization and distributed arithmetic optimization to fit the entire transformer model on a single FPGA, achieving the required throughput and latency. Furthermore, we add multi-head attention and linear attention support to hls4ml, making our work accessible to the broader fast machine learning community. This work advances the next-generation trigger systems for the High Luminosity LHC, enabling the use of transformers for real-time applications in high-energy physics and beyond.

Laatu, Lauri [Imperial Coll., London]↗

NASA NTRS2005

Autonomic Cluster Management System (ACMS): A Demonstration of Autonomic Principles at Work

Cluster computing, whereby a large number of simple processors or nodes are combined together to apparently function as a single powerful computer, has emerged as a research area in its own right. The approach offers a relatively inexpensive means of achieving significant computational capabilities for high-performance computing applications, while simultaneously affording the ability to. increase that capability simply by adding more (inexpensive) processors. However, the task of manually managing and con.guring a cluster quickly becomes impossible as the cluster grows in size. Autonomic computing is a relatively new approach to managing complex systems that can potentially solve many of the problems inherent in cluster management. We describe the development of a prototype Automatic Cluster Management System (ACMS) that exploits autonomic properties in automating cluster management.

Baldassari, James D.↗

DOE OSTI2020

The ongoing need for high-resolution regional climate models: Process understanding and stakeholder information

Regional climate modeling addresses our need to understand and simulate climatic processes and phenomena unresolved in global models. High resolution models are generally more skillful in simulating extremes, such as heavy precipitation, strong winds, and severe storms. In addition, research has shown that fine-scale features such as mountains, coastlines, lakes, irrigation, land use, and urban heat islands can substantially influence a region’s climate and its response to changing forcings. Regional climate simulations explicitly simulating convection are now being performed, providing an opportunity to illuminate new physical behavior that previously was represented by parameterizations with large uncertainties. Regional and global models are both advancing toward higher resolution, as computational capacity increases. However, the resolution and ensemble size necessary to produce a sufficient statistical sample of these processes in global models has proven too costly for contemporary supercomputing systems. Regional climate models are thus indispensable tools that complement global models for understanding regional climate variability and change, and are critical for supporting societal responses to changing climate.

Gutowski, William↗

NASA NTRS1995

Measuring fault tolerance with the FTAPE fault injection tool

This paper describes FTAPE (Fault Tolerance And Performance Evaluator), a tool that can be used to compare fault-tolerant computers. The major parts of the tool include a system-wide fault-injector, a workload generator, and a workload activity measurement tool. The workload creates high stress conditions on the machine. Using stress-based injection, the fault injector is able to utilize knowledge of the workload activity to ensure a high level of fault propagation. The errors/fault ratio, performance degradation, and number of system crashes are presented as measures of fault tolerance.

Tsai, Timothy K.↗

DOE OSTI2019

Applying Machine Learning to Understand Write Performance of Large-scale Parallel Filesystems

In high-performance computing (HPC), I/O performance prediction offers the potential to improve the efficiency of scientific computing. In particular, accurate prediction can make runtime estimates more precise, guide users toward optimal checkpoint strategies, and better inform facility provisioning and scheduling policies. HPC I/O performance is notoriously difficult to predict and model, however, in large part because of inherent variability and a lack of transparency in the behaviors of constituent storage system components. In this work we seek to advance the state of the art in HPC I/O performance prediction by (1) modeling the mean performance to address high variability, (2) deriving model features from write patterns, system architecture and system configurations, and (3) employing Lasso regression model to improve model accuracy. We demonstrate the efficacy of our approach by applying it to a crucial subset of common HPC I/O motifs, namely, file-per-process checkpoint write workloads. We conduct experiments on two distinct production HPC platforms—Titan at the Oak Ridge Leadership Computing Facility and Cetus at the Argonne Leadership Computing Facility—to train and evaluate our models. We find that we can attain ≤ 30% relative error for 92.79% and 99.64% of the samples in our test set on these platforms, respectively.

Xie, Bing↗

DOE OSTI2023

A Vision for Coupling Operation of US Fusion Facilities with HPC Systems and the Implications for Workflows and Data Management

The operation of large US Department of Energy (DOE) research facilities, like the DIII-D National Fusion Facility, results in the collection of complex multi-dimensional scientific datasets, both experimental and model-generated. In the future, it is envisioned that integrated data analysis coupled with large-scale high performance computing (HPC) simulations will be used to improve experimental planning and operation. Practically, massive data sets from these simulations provide the physics basis for generation of both reduced semi-analytic and machine-learning-based models. Storage of both HPC simulation datasets (generated from US DOE leadership computing facilities) and experimental datasets presents significant challenges. In this paper, we present a vision for a DOE-wide data management workflow that integrates US DOE fusion facilities with leadership computing facilities. Data persistence and long-term availability beyond the length of allocated projects is essential, particularly for verification and recalibration of artificial intelligence and machine learning (AI/ML) models. Because these data sets are often generated and shared among hundreds of users across multiple leadership computing facility centers, they would benefit from cross-platform accessibility, persistent identifiers (e.g. DOI, or digital object identifier), and provenance tracking. Here, the ability to handle different data access patterns suggests that a combination of low cost, high latency (e.g. for storing ML training sets) and high cost, low latency systems (e.g. for real-time, integrated machine control feedback) may be needed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Real-space Kohn–Sham density functional theory for complex energy applications

Real-space Kohn-Sham density functional theory (real-space KS-DFT) enables large-scale electronic structure simulations that is particularly well-suited for the modern high-performance computing (HPC) architectures. This feature article reviews its theoretical foundations, highlights the algorithmic advances and recent developments, and showcases applications in complex nano systems. We aim to provide a perspective on the trajectory of real-space KS-DFT as an emerging tool for computational chemistry and materials science in the exascale era.

Zhang, Zeyi↗

DOE OSTI2025

An improved guess for the variational calculation of charge-transfer excitations in large systems

Ab initio quantum-chemical methods that perform well for computing the electronic ground state are not straightforwardly transferable to electronically excited states, particularly in large molecular systems. Wave function theory offers high accuracy, but is often prohibitively expensive. Methods based on time-dependent density functional theory (TD-DFT) are crucially sensitive to the chosen exchange-correlation functional (XCF) parameterization, and system-specific tuning protocols were therefore proposed to address the method's robustness. Methods based on the variational relaxation of the excited-state electron density showcased promising results for the calculation of charge-transfer excitations, but the complex shape of the electronic hypersurface makes convergence to a specific excited state much more difficult than for the ground state when standard variational techniques are applied. We address the latter aspect by providing suitable initial guesses, which we obtain by two separate constrained algorithms. Combined with the squared-gradient minimization algorithm for all-electrons relaxation in a freeze-and-release scheme (FRZ-SGM), we demonstrate that orbital-optimized density functional theory (OO-DFT) calculations can reliably converge to the charge-transfer states of interest even for large molecular systems. We test the FRZ-SGM method on a phenothiazine-anthraquinone CT excitation in a supramolecular Pd(II) coordination cage complex as a function of the cage conformation. This compound has been studied experimentally prior to our work. We compare this freeze-and-release scheme to two XCF reparameterizations, which were recently proposed as low-cost TD-DFT-based alternatives to variational methods. Two dye-semiconductor complexes, which were previously investigated in the context of photovoltaic applications, serve as a second example to investigate the convergence and stability of the FRZ-SGM approach. Our results demonstrate that FRZ-SGM provides reliable convergence for charge-transfer excited states and avoids variational collapse to lower-lying electronic states, whereas time-dependent DFT calculations with an adequate tuning procedure for the range-separation parameter provide a computationally efficient initial estimate of the corresponding energies, with a computational cost comparable to that of configuration-interaction singles (CIS) calculations.

Bogo, Nicola↗

DOE OSTI2020

Estimation Matrix Calibration of PMU Data-driven State Estimation Using Neural Network

Linear state estimation (LSE) is a phasor measurement unit (PMU) data-based power system state estimation that incorporates a linear measurement model in rectangular coordinates. Due to the high computational efficiency and high observational time-resolution, LSE can act as a supplementary state estimation in a wide-area monitoring system (WAMS). The performance of LSE is relatively sensitive to noises in measurements. Therefore, the estimation accuracy relies heavily on the accuracy of the estimation matrix, which is directly influenced by the measurement weight matrix. This paper proposes two novel calibration method of the estimation matrix using neural networks. One is based on the minimum absolute network loss (ANL), and the other is based on the minimum average squared network loss (ASNL). Both methods are tested and compared with LSE algorithms on the IEEE 14-bus system

neural network↗

DOE OSTI2023

Neural Networks-Based Inverter Control: Modeling and Adaptive Optimization for Smart Distribution Networks

The optimal voltage control of inverter-based resources, especially under the high penetration of solar photovoltaics, is critical to the stability of the distribution power system. However, the computational complexity as well as the coordinated operation performance of the voltage control optimization in the distribution power system limits the real-time applications. To mitigate this issue, a model-free based adaptive optimal control scheme for the smart inverter is proposed to maximize the active power generation, minimize the power loss, and maintain the bus voltages in smart distribution networks. An inverter-based optimization model for coordinated operation is first established, considering the uncertainties of renewable power generation. Subsequently, by collecting the data and control strategies, the neural networks (NNs) based algorithm is proposed to efficiently predict the best possible control strategy. The main objective of this scheme is to accurately predict candidate optimal solutions with near-negligible feasibility and optimization gaps, with the advantage of avoiding complicated iteration-based numerical algorithms. Thereafter, the co-simulation among OpenDSS, MATLAB, and Python is set up to fully take advantage of the three individual software. Experiments are conducted based on different control parameter characteristics and structures of NNs. Finally, the results reveal that an average mean squared error of 0.013 and 1 ms response time are achieved, which is lower than some state-of-the-art methods.

42 ENGINEERING↗

DOE OSTI2018

Cabana

Physics simulations that use particles in their algorithms are ubiquitous on modern high performance computers. Cabana is a C++ library for developing particle-based simulations on heterogeneous high performance computing platforms. Cabana provides general data structures and algorithms for common particle operations in a way that is both performant and portable on HPC systems. This includes particle data structure allocatable and configurable on GPU and CPU architectures, and threaded and distributed algorithms for sorting particles, halo exchanges, neighbor list generation, and other basic particle operations.

Slattery, StuartR↗