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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
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 OSTI2018

Application of X-ray computed tomography for the characterization of graphite morphology in compact-graphite iron

Highlights: • X-ray Tomography is a powerful technique for graphite morphology characterization. • 3D characterization reveals true nodularity and spatial connectivity of graphite. • Tri-modal distribution of SG suggests a multi-stage graphite nucleation process. - Abstract: In the present study, high-energy X-ray tomography technique was used to characterize the graphite morphology of compact graphite iron. The size, shape, spatial connectivity and structure of different graphite morphologies were examined in 3D using computer-aided image analysis. In addition, nodularity analysis was performed in 3D and the results are compared to the traditional 2D technique. It is found that the variation of nodularity within 2 × 2 × 1.2 mm{sup 3} of the sample can be as high as 20 (%) from 2D analysis and the averaged nodularity (2D) is higher than that from 3D analysis. The size distribution of spheroidal graphite shows a tri-modal distribution, which suggests a multi-step nucleation process during solidification.

36 MATERIALS SCIENCE↗
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 OSTI2023

Extreme-scale stochastic optimization and simulation via learning-enhanced decomposition and parallelization (Final Technical Report)

Stochastic optimization and simulation models ubiquitously arise in designing and operating complex service/engineering systems. They can be extreme in scale due to high-dimensional data and decisions, and can also involve decisions made sequentially in response to newly revealed data, both causing significant computational challenge. The objective of this research is to explore a unified framework that integrates machine learning with discrete optimization and risk-averse modeling, to improve the efficiency of decomposition paradigms for stochastic optimization and simulations at extreme scale. The models we consider represent a broad class of complex decision-making problems, where 0-1 or continuous decisions are made before and/or after knowing multiple sources of uncertainties that could be correlated. We will employ machine learning methods to dynamically decide and prioritize computational procedures, including cut generation, branching, and bounding of the optimal objective. Furthermore, the research will shed new lights on the traditional decomposition algorithms for extreme-scale computing. Deliverables of the research include new modeling and computational methods for advancing the state-of-the-art research in optimization and simulation, bringing many relevant risk-averse, data-driven optimization problems in practice within the range of tractability. Examples include distributed computing server scheduling and sensor deployment for monitoring critical infrastructures. Success in this effort will enable progress in solving multiple extreme-scale problems in the complex system design and operations arising from DoE missions in energy, environment, and national security.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1985

Optical analysis of parabolic dish concentrators for solar dynamic power systems in space

An optical analysis of a parabolic solar collection system operating in Earth orbit was performed using ray tracing techniques. The analysis included the effects of: (1) solar limb darkening, (2) parametric variation of mirror surface error, (3) parametric variation of mirror rim angle, and (4) parametric variation of alignment and pointing error. This ray tracing technique used numerical integration to combine the effects of rays emanating from different parts of the sun at different intensities with the effects of normally distributed mirror-surface errors to compute the angular intensity distribution of rays leaving the mirror surface. A second numerical integration was then performed over the surface of the parabolic mirror to compute the radial distribution of brightness at the mirror focus. Major results of the analysis included: (1) solar energy can be collected at high temperatures with high efficiency, (2) higher absorber temperatures can be achieved at lower efficiencies, or higher efficiencies can be achieved at lower temperatures, and (3) collection efficiency is near its maximum level across a broad plateau of rim angles from 40 deg to 70 deg.

Jefferies, K. S.↗
NASA NTRS2018

Smallholder Crop Area Mapped with Wall-To-Wall WorldView Sub-Meter Panchromatic Image Texture: A Test Case for Tigray, Ethiopia

Global food production in the developing world occurs within sub-hectare fields that are difficult to identify with moderate resolution satellite imagery. Knowledge about the distribution of these fields is critical in food security programs. We developed a semi-automated image segmentation approach using wall-to-wall sub-meter imagery with high-performance computing to map crop area (CA) throughout Tigray, Ethiopia that encompasses over 41,000 km (exp 2). Multiple processing streams were tested to minimize mapping error while applying five unique smoothing kernels to capture differences in land surface texture associated to CA. Typically, very-small fields (mean < 2 ha) have a smooth image roughness compared to natural scrub/shrub woody vegetation at the ~1m scale and these features can be segmented in panchromatic imagery with multi-level histogram thresholding. Multi-temporal very-high resolution (VHR) panchromatic imagery with multi-spectral VHR are sufficient in extracting critical CA information needed in food security programs. A 2011 to 2015 CA map was produced, using over 3000 WorldView-1 panchromatic images wall-to-wall in 1/2 deg mosaics for Tigray, Ethiopia. CA was evaluated with nearly 3000 WorldView-2 2m multispectral 250 X 250 m image subsets by seven expert interpretations, and with in-situ global positioning system photography. CA estimates ranged from 32 to 41% in sub regions of Tigray with median maximum per bin commission and omission errors of 11% and 1% respectively, with most of the error occurring in bins <15%. This empirical, simple, and low direct cost approach via U.S. government license agreement to access commercial VHR data, could be a viable big-data high-performance computing methodology to extract wall-to-wall CA for other regions of the world that have very-small agriculture fields with similar image texture."

Ethiopia↗
DOE OSTI2023

Software Quality Assurance for High Performance Computing Containers

Software containers are a key channel for delivering portable and reproducible scientific software in high performance computing (HPC) environments. HPC environments are different from other types of computing environments primarily due to usage of the message passing interface (MPI) and drivers for specialized hard- ware to enable distributed computing capabilities. This distinction directly impacts how software containers are built for HPC applications and can complicate software quality assurance efforts including portability and performance. This work introduces a strategy for building containers for HPC applications that adopts layering as a mechanism for software quality assurance. The strategy is demonstrated across three different HPC systems, two of them petaflops scale with entirely different interconnect technologies and/or processor chipsets but running the same container. Performance consequences of the containerization strategy are found to be less than 5-14% while still achieving portable and reproducible containers for HPC systems.

97 MATHEMATICS AND COMPUTING↗