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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Computer-aided design and distributed system technology development for large space structures

Proposed large space structures have many characteristics that make them difficult to analyze and control. They are highly flexible, with components mathematically modeled by partial differential equations or very large systems of ordinary differential equations. They have many resonant frequencies, typically low and closely spaced. Natural damping may be low and/or improperly modeled. Coupled with stringent operational requirements of orientation, shape control, and vibration suppression, and the inability to perform adequate ground testing, these characteristics present an unconventional identification and control design problem to the systems theorist. Some of the research underway within Langley's Spacecraft Control Branch, Guidance and Control Division aimed at developing theory and algorithms to treat large space structures systems identification and control problems is described. The research areas to be considered are computer-aided design algorithms, and systems identification and control of distributed systems.

Armstrong, Ernest S.↗
DOE OSTI2024

Overview of the distributed image processing infrastructure to produce the Legacy Survey of Space and Time

The Vera C. Rubin Observatory is preparing to execute the most ambitious astronomical survey ever attempted, the Legacy Survey of Space and Time (LSST). Currently the final phase of construction is under way in the Chilean Andes, with the Observatory’s ten-year science mission scheduled to begin in 2025. Rubin’s 8.4-meter telescope will nightly scan the southern hemisphere collecting imagery in the wavelength range 320–1050 nm covering the entire observable sky every 4 nights using a 3.2 gigapixel camera, the largest imaging device ever built for astronomy. Automated detection and classification of celestial objects will be performed by sophisticated algorithms on high-resolution images to progressively produce an astronomical catalog eventually composed of 20 billion galaxies and 17 billion stars and their associated physical properties. In this article we present an overview of the system currently being constructed to perform data distribution as well as the annual campaigns which reprocess the entire image dataset collected since the beginning of the survey. These processing campaigns will utilize computing and storage resources provided by three Rubin data facilities (one in the US and two in Europe). Each year a Data Release will be produced and disseminated to science collaborations for use in studies comprising four main science pillars: probing dark matter and dark energy, taking inventory of solar system objects, exploring the transient optical sky and mapping the Milky Way. Also presented is the method by which we leverage some of the common tools and best practices used for management of large-scale distributed data processing projects in the high energy physics and astronomy communities. We also demonstrate how these tools and practices are utilized within the Rubin project in order to overcome the specific challenges faced by the Observatory.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

QCOR; A Language Extension Specification for the Heterogeneous Quantum-Classical Model of Computation

Quantum computing (QC) is an emerging computational paradigm that leverages the laws of quantum mechanics to perform elementary logic operations. Existing programming models for QC were designed with fault-tolerant hardware in mind, envisioning stand-alone applications. However, the susceptibility of near-term quantum computers to noise limits their stand-alone utility. To better leverage limited computational strengths of noisy quantum devices, hybrid algorithms have been suggested whereby quantum computers are used in tandem with their classical counterparts in a heterogeneous fashion. This modus operandi calls out for a programming model and a high-level programming language that natively and seamlessly supports heterogeneous quantum-classical hardware architectures in a single-source-code paradigm. Motivated by the lack of such a model, we introduce a language extension specification, called QCOR, which enables single-source quantum-classical programming. Programs written using the QCOR library–based language extensions can be compiled to produce functional hybrid binary executables. After defining QCOR’s programming model, memory model, and execution model, we discuss how QCOR enables variational, iterative, and feed-forward QC. Additionally, QCOR approaches quantum-classical computation in a hardware-agnostic heterogeneous fashion and strives to build on best practices of high-performance computing. The high level of abstraction in the language extension is intended to accelerate the adoption of QC by researchers familiar with classical high-performance computing.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2005

Navier-Stokes Simulation of Airconditioning Facility of a Large Modem Computer Room

NASA recently assembled one of the world's fastest operational supercomputers to meet the agency's new high performance computing needs. This large-scale system, named Columbia, consists of 20 interconnected SGI Altix 512-processor systems, for a total of 10,240 Intel Itanium-2 processors. High-fidelity CFD simulations were performed for the NASA Advanced Supercomputing (NAS) computer room at Ames Research Center. The purpose of the simulations was to assess the adequacy of the existing air handling and conditioning system and make recommendations for changes in the design of the system if needed. The simulations were performed with NASA's OVERFLOW-2 CFD code which utilizes overset structured grids. A new set of boundary conditions were developed and added to the flow solver for modeling the roomls air-conditioning and proper cooling of the equipment. Boundary condition parameters for the flow solver are based on cooler CFM (flow rate) ratings and some reasonable assumptions of flow and heat transfer data for the floor and central processing units (CPU) . The geometry modeling from blue prints and grid generation were handled by the NASA Ames software package Chimera Grid Tools (CGT). This geometric model was developed as a CGT-scripted template, which can be easily modified to accommodate any changes in shape and size of the room, locations and dimensions of the CPU racks, disk racks, coolers, power distribution units, and mass-storage system. The compute nodes are grouped in pairs of racks with an aisle in the middle. High-speed connection cables connect the racks with overhead cable trays. The cool air from the cooling units is pumped into the computer room from a sub-floor through perforated floor tiles. The CPU cooling fans draw cool air from the floor tiles, which run along the outside length of each rack, and eject warm air into the center isle between the racks. This warm air is eventually drawn into the cooling units located near the walls of the room. One major concern is that the hot air ejected to the middle isle might recirculate back into the cool rack side and cause thermal short-cycling. The simulations analyzed and addressed the following important elements of the computer room: 1) High-temperature build-up in certain regions of the room; 2) Areas of low air circulation in the room; 3) Potential short-cycling of the computer rack cooling system; 4) Effectiveness of the perforated cooling floor tiles; 5) Effect of changes in various aspects of the cooling units. Detailed flow visualization is performed to show temperature distribution, air-flow streamlines and velocities in the computer room.

Source record↗
DOE OSTI2021

DNTTD (Distributed Non-Negative Tensor Train Decomposition)

The era of exascale computing opens new venues for innovations and discoveries in many scientific, engineering, and commercial fields. However, with the exa flops also come the extra-large high-dimensional data generated by high performance computing. High-dimensional data is presented as multidimensional arrays, aka tensors. The presence of latent (not directly observable) structures in the tensor allows a unique representation and compression of the data by classical tensor factorization techniques. However, the classical tensor methods are not always stable or they can be exponential in their memory requirements, which makes them not suitable for high-dimensional tensors. Tensor train (TT) is a state-of-the-art tensor network introduced for factorization of high-dimensional tensors. TT transforms the initial high-dimensional tensor in a network of three-dimensional tensors that requires only a linear storage. Many real-world data, such as, density, temperature, population, probability, etc., are non-negative and for an easy interpretation, the algorithms preserving non-negativity are preferred. Here, we introduce a distributed non-negative tensor-train and demonstrate its scalability and the compression on synthetic and real world big datasets.

Bhattarai, Manish↗
NASA NTRS1985

Atomization data for spray combustion modeling

Computer models that simulate the energy release processes in spray combustion are highly dependent upon the quality of atomization data utilized. This paper presents results of analyses performed with a state-of-the-art rocket combustion code, demonstrating the important effects of initial droplet sizes and size distributions on combustion losses. Also, the questionable aspects and inapplicability of the generally available atomization data are discussed. One important and misunderstood aspect of the atomization process is the difference between spatial (concentration) and flux (temporal) droplet size distributions. These are addressed, and a computer model developed to assess this difference is described and results presented. Finally, experimental results are shown that demonstrate the often neglected effects of the local gas velocity field on the atomization process.

Ferrenberg, A. J.↗
DOE OSTI2021

Communication-Avoiding and Memory-Constrained Sparse Matrix-Matrix Multiplication at Extreme Scale

Sparse matrix-matrix multiplication (SpGEMM) is a widely used kernel in various graph, scientific computing and machine learning algorithms. In this paper, we consider SpGEMMs performed on hundreds of thousands of processors generating trillions of nonzeros in the output matrix. Distributed SpGEMM at this extreme scale faces two key challenges: (1) high communication cost and (2) inadequate memory to generate the output. Furthermore, we address these challenges with an integrated communication-avoiding and memory-constrained SpGEMM algorithm that scales to 262,144 cores (more than 1 million hardware threads) and can multiply sparse matrices of any size as long as inputs and a fraction of output fit in the aggregated memory. As we go from 16,384 cores to 262,144 cores on a Cray XC40 supercomputer, the new SpGEMM algorithm runs 10x faster when multiplying large-scale protein-similarity matrices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Physics for neuromorphic computing

Neuromorphic computing takes inspiration from the brain to create energy-efficient hardware for information processing, capable of highly sophisticated tasks. Systems built with standard electronics achieve gains in speed and energy by mimicking the distributed topology of the brain. Scaling-up such systems and improving their energy usage, speed and performance by several orders of magnitude requires a revolution in hardware. Here, we discuss how including more physics in the algorithms and nanoscale materials used for data processing could have a major impact in the field of neuromorphic computing. We review striking results that leverage physics to enhance the computing capabilities of artificial neural networks, using resistive switching materials, photonics, spintronics and other technologies. We discuss the paths that could lead these approaches to maturity, towards low-power, miniaturized chips that could infer and learn in real time.

device physics↗
DOE OSTI2025

Distributed Stochastic Optimization of a Neural Representation Network for Time-Space Tomography Reconstruction

4D time-space reconstruction of dynamic events or deforming objects using X-ray computed tomography (CT) is an important inverse problem in non-destructive evaluation. Conventional back-projection based reconstruction methods assume that the object remains static for the duration of several tens or hundreds of X-ray projection measurement images (reconstruction of consecutive limited-angle CT scans). However, this is an unrealistic assumption for many in-situ experiments that causes spurious artifacts and inaccurate morphological reconstructions of the object. To solve this problem, we propose to perform a 4D time-space reconstruction using a distributed implicit neural representation (DINR) network that is trained using a novel distributed stochastic training algorithm. Our DINR network learns to reconstruct the object at its output by iterative optimization of its network parameters such that the measured projection images best match the output of the CT forward measurement model. Here, we use a forward measurement model that is a function of the DINR outputs at a sparsely sampled set of continuous valued 4D object coordinates. Unlike previous neural representation architectures that forward and back propagate through dense voxel grids that sample the object's entire time-space coordinates, we only propagate through the DINR at a small subset of object coordinates in each iteration resulting in an order-of-magnitude reduction in memory and compute for training. DINR leverages distributed computation across several compute nodes and GPUs to produce high-fidelity 4D time-space reconstructions. We use both simulated parallel-beam and experimental cone-beam X-ray CT datasets to demonstrate the superior performance of our approach.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Parallelizing autotuning for HPC applications: Unveiling the potential of the speculation strategy in Bayesian optimization

In the exascale computing era, tuning High-Performance Computing (HPC) applications has become a significant computational challenge. Although Bayesian optimization (BO) has emerged as a promising tool for HPC performance tuning, the BO workflow is inherently sequential (i.e., one function evaluation at a time) and cannot leverage the huge amount of parallel resources present in modern supercomputers, resulting in a considerable underutilization of their computational capabilities. This paper explores the trade-off between search quality and parallelism in BO, investigating a diverse set of methods. Building upon both previous approaches from the literature and novel methodologies introduced in this work, our study provides a deep analysis to accelerate BO performance tuning. By examining a set of synthetic functions and practical HPC applications, our exploration analyzes the interaction among various BO methods for parallelization, the quantity of parallel resources, the runtime distribution of target HPC applications, and the costs associated with different search orchestration mechanisms that have been overlooked in previous studies. Compared to sequential BO, our novel methodology achieves comparable quality while demonstrating robust scalability in search time as the amount of parallel resources increases; it also outperforms a state-of-the-art tuner, which supports parallelization, achieving up to 3.67x faster search time. We provide high-value insights for practitioners seeking to leverage the power of parallel computing for efficient HPC application tuning. Additionally, to further assist researchers in accelerating the performance tuning of their HPC applications, we provide an extension of an existing open-source tuning framework that incorporates our methods.

Bayesian optimization↗
DOE OSTI2017

An experimental investigation of gas fuel injection with X-ray radiography

In this paper, an outward-opening compressed natural gas, direct injection fuel injector has been studied with single-shot x-ray radiography. Three dimensional simulations have also been performed to compliment the x-ray data. Argon was used as a surrogate gas for experimental and safety reasons. This technique allows the acquisition of a quantitative mapping of the ensemble-average and standard deviation of the projected density throughout the injection event. Two dimensional, ensemble average and standard deviation data are presented to investigate the quasi-steady-state behavior of the jet. Upstream of the stagnation zone, minimal shot-to-shot variation is observed. Downstream of the stagnation zone, bulk mixing is observed as the jet transitions to a subsonic turbulent jet. From the time averaged data, individual slices at all downstream locations are extracted and an Abel inversion was performed to compute the radial density distribution, which was interpolated to create three dimensional visualizations. The Abel reconstructions reveal that upstream of the stagnation zone, the gas forms an annulus with high argon density and large density gradients. Inside this annulus, a recirculation region with low argon density exists. Downstream, the jet transitions to a fully turbulent jet with Gaussian argon density distributions. This experimental data is intended to serve as a quantitative benchmark for simulations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Scaling the SciDAC QuantOm Workflow

As part of the Scientific Discovery through Advanced Computing (SciDAC) program, the Quantum Chromodynamics Nuclear Tomography (QuantOM) project aims to analyze data from Deep Inelastic Scattering (DIS) experiments conducted at Jefferson Lab and the upcoming Electron Ion Collider. The DIS data analysis is performed on an event-level by combining the input from theoretical and experimental nuclear physics into a single, composable workflow. The optimization itself (I.e. fitting the experimental data with theoretical predictions) is carried out by a machine / deep learning algorithm. The size of the acquired DIS data as well as the complexity of the workflow itself require that the analysis is performed across multiple GPUs on high performance computing systems, such as Polaris at Argonne National Laboratory. This presentation discusses the novelties and challenges that came along with parallelizing this workflow. Recent results are compared to common distributed training techniques.

Lersch, Daniel↗
NASA NTRS2010

High-Intensity Radiated Field Fault-Injection Experiment for a Fault-Tolerant Distributed Communication System

Safety-critical distributed flight control systems require robustness in the presence of faults. In general, these systems consist of a number of input/output (I/O) and computation nodes interacting through a fault-tolerant data communication system. The communication system transfers sensor data and control commands and can handle most faults under typical operating conditions. However, the performance of the closed-loop system can be adversely affected as a result of operating in harsh environments. In particular, High-Intensity Radiated Field (HIRF) environments have the potential to cause random fault manifestations in individual avionic components and to generate simultaneous system-wide communication faults that overwhelm existing fault management mechanisms. This paper presents the design of an experiment conducted at the NASA Langley Research Center's HIRF Laboratory to statistically characterize the faults that a HIRF environment can trigger on a single node of a distributed flight control system.

Yates, Amy M.↗
NASA NTRS1983

The use of Ada in distributed simulations

The increasing need for detailed information about systems of continually growing complexity enhances steadily the demands regarding the employed models. The present investigation is concerned with work related to the development of high-performance computer hardware intended for the support of the real-time simulation of jet engines. The hardware is structured in the form of a network of communicating microprocessors running in parallel. The need for a higher-order language capability for programming such a network has led to the research considered in this study. Attention is given to the hardware which is being developed, an abstract model, programming language considerations, research considerations, research objectives, Ada tasks, Ada packages, the Ada model, the mapping of the model to the hardware, a precompiler example, and the advantages of Ada.

Collins, W. R.↗
DOE OSTI2018

A computationally efficient ductile damage model accounting for nucleation and micro-inertia at high triaxialities

The computational formulation of a micro-mechanical material model for the dynamic failure of ductile metals is presented in this paper. The statistical nature of porosity initiation is accounted for by introducing an arbitrary probability density function which describes the pores nucleation pressures. Each micropore within the representative volume element is modeled as a thick spherical shell made of plastically incompressible material. The treatment of porosity by a distribution of thick-walled spheres also allows for the inclusion of micro-inertia effects under conditions of shock and dynamic loading. The second order ordinary differential equation governing the microscopic porosity evolution is solved with a robust implicit procedure. A new Chebyshev collocation method is employed to approximate the porosity distribution and remapping is used to optimize memory usage. The adaptive approximation of the porosity distribution leads to a reduction of computational time and memory usage of up to two orders of magnitude. Moreover, the proposed model affords consistent performance: changing the nucleation pressure probability density function and/or the applied strain rate does not reduce accuracy or computational efficiency of the material model. The numerical performance of the model and algorithms presented is tested against three problems for high density tantalum: single void, one-dimensional uniaxial strain, and two-dimensional plate impact. Here, the results using the integration and algorithmic advances suggest a significant improvement in computational efficiency and accuracy over previous treatments for dynamic loading conditions.

42 ENGINEERING↗
NASA NTRS2016

Li-Doped Ionic Liquid Electrolytes: From Bulk Phase to Interfacial Behavior

Ionic liquids have been proposed as candidate electrolytes for high-energy density, rechargeable batteries. We present an extensive computational analysis supported by experimental comparisons of the bulk and interfacial properties of a representative set of these electrolytes as a function of Li-salt doping. We begin by investigating the bulk electrolyte using quantum chemistry and ab initio molecular dynamics to elucidate the solvation structure of Li(+). MD simulations using the polarizable force field of Borodin and coworkers were then performed, from which we obtain an array of thermodynamic and transport properties. Excellent agreement is found with experiments for diffusion, ionic conductivity, and viscosity. Combining MD simulations with electronic structure computations, we computed the electrochemical window of the electrolytes across a range of Li(+)-doping levels and comment on the role of the liquid environment. Finally, we performed a suite of simulations of these Li-doped electrolytes at ideal electrified interfaces to evaluate the differential capacitance and the equilibrium Li(+) distribution in the double layer. The magnitude of differential capacitance is in good agreement with our experiments and exhibits the characteristic camel-shaped profile. In addition, the simulations reveal Li(+) to be highly localized to the second molecular layer of the double layer, which is supported by additional computations that find this layer to be a free energy minimum with respect to Li(+) translation.

molecular dynamics↗
DOE OSTI2019

A hierarchical approach for modeling X-ray beamlines: application to a coherent beamline

Herein, different approaches to simulate a modern X-ray beamline are considered. Several methodologies with increasing complexity are applied to discuss the relevant parameters that quantify the beamline performance. Parameters such as flux, dimensions and intensity distribution of the focused beam, and coherence properties are obtained from simple analytical calculations to sophisticated computer simulations using ray-tracing and wave optics techniques. A latest-generation X-ray nanofocusing beamline for coherent applications (ID16A at the ESRF) has been chosen to study in detail the issues related to highly demagnifying synchrotron sources and exploiting the beam coherence. The performance of the beamline is studied for two storage rings: the old ESRF-1 (emittance 4000 pm) and the new ESRF-EBS (emittance 150 pm). In addition to traditional results in terms of flux and beam sizes, an innovative study on the partial coherence properties based on the propagation of coherent modes is presented. The different algorithms and methodologies are implemented in the software suite OASYS . These are discussed with emphasis placed upon the their benefits and limitations of each.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

CP violation searches and distributed computing development with the Belle II Experiment at the University of Mississippi and Brookhaven National Laboratory (Final Report)

This report reflects the work performed at the University of Mississippi under the support of DOE EPSCoR grant DE‐SC0021274 during the period of September 2020 through August 2024, including a one-year, no-cost extension. A summary of the research outcomes is given, with reference to the project goals as stated in the proposal. This successful project supported the mission of the DOE High Energy Physics program by leveraging the complimentary expertise of researchers at the University of Mississippi and Brookhaven National Lab to search for CP violation in charmed baryon decays using data from the Belle II experiment and to provide vital support for Belle II distributed computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗