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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

TagDigger: user-friendly extraction of read counts from GBS and RAD-seq data

In genotyping-by-sequencing (GBS) and restriction site-associated DNA sequencing (RAD-seq), read depth is important for assessing the quality of genotype calls and estimating allele dosage in polyploids. However, existing pipelines for GBS and RAD-seq do not provide read counts in formats that are both accurate and easy to access. Additionally, although existing pipelines allow previously-mined SNPs to be genotyped on new samples, they do not allow the user to manually specify a subset of loci to examine. Pipelines that do not use a reference genome assign arbitrary names to SNPs, making meta-analysis across projects difficult. We created the software TagDigger, which includes three programs for analyzing GBS and RAD-seq data. The first script, tagdigger_interactive.py, rapidly extracts read counts and genotypes from FASTQ files using user supplied sets of barcodes and tags. Input and output is in CSV format so that it can be opened by spreadsheet software. Tag sequences can also be imported from the Stacks, TASSEL-GBSv2, TASSEL-UNEAK, or pyRAD pipelines, and a separate file can be imported listing the names of markers to retain. A second script, tag_manager.py, consolidates marker names and sequences across multiple projects. A third script, barcode_splitter.py, assists with preparing FASTQ data for deposit in a public archive by splitting FASTQ files by barcode and generating MD5 checksums for the resulting files. TagDigger is open-source and freely available software written in Python 3. It uses a scalable, rapid search algorithm that can process over 100 million FASTQ reads per hour. TagDigger will run on a laptop with any operating system, does not consume hard drive space with intermediate files, and does not require programming skill to use.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Analyzing the suitability of contemporary 3D-stacked PIM architectures for HPC scientific applications

Scaling off-chip bandwidth is challenging due to fundamental limitations, such as a fixed pin count and plateauing signaling rates. Recently, vendors have turned to 2.5D and 3D stacking to closely integrate system components. Interestingly, these technologies can integrate a logic layer under multiple memory dies, enabling computing capability inside a memory stack. This trend in stacking is making PIM architectures commercially viable. In this work, we investigate the suitability of offloading kernels in scientific applications onto 3D stacked PIM architectures. We evaluate several hardware constraints resulted from the stacked structure. We perform extensive simulation experiments and in-depth analysis to quantify the impact of application locality in TLBs, data caches, and memory stacks. Our results also identify design optimization areas in software and hardware for HPC scientific applications.

Peng, Ivy Bo↗
DOE OSTI2022

UAV remote sensing imagery - Miscanthus trials 2020 - Energy Farm - UIUC

Aerial imagery utilized as input in the manuscript "Deep convolutional neural networks exploit high spatial and temporal resolution aerial imagery to predict key traits in miscanthus" . Data was collected over M. Sacchariflorus and Sinensis breeding trials at the Energy Farm, UIUC in 2020. Flights were performed using a DJI M600 mounted with a Micasense Rededge multispectral sensor at 20 m altitude around solar noon. Imagery is available as tif file by field trial and date (10). The post-processing of raw images into orthophoto was performed in Agisoft Metashape software. Each crop surface model and multispectral orthophoto was stacked into an unique raster stack by date and uploaded here. Each raster stack includes 6 layers in the following order: Layer 1 = crop surface model, Layer 2 = Blue, Layer 3 = Green, Layer 4 = Red, Layer 5 = Rededge, and Layer 6 = NIR multispectral bands. Msa raster stacks were resampled to 1.67 cm spatial resolution and Msi raster stacks were resampled to 1.41 cm spatial resolution to ease their integration into further analysis. 'MMDDYYYY' is the date of data collection, 'MSA' is M. Sacchariflorus trial, 'MSI' is Miscanthus Sinensis trial, 'CSM' is crop surface model layer, and 'MULTSP' are the five multispectral bands.

bioenergy↗
DOE OSTI2026

An end-to-end workflow for executing a classically bootstrapped variational quantum algorithm on an academic quantum computer

Academic quantum computing platforms often face unique challenges in executing quantum workloads due to fragmented software environments and limited engineering support. Unlike commercial ecosystems, academic devices typically evolve without full-stack integration in mind, making it difficult to run complex applications—such as variational quantum algorithms (VQA)—reliably and efficiently. Issues such as incompatible software layers and lack of automated job management significantly increase the overhead of theory-experiment collaboration. To address these challenges, we develop a modular, end-to-end workflow that decouples application-layer code from low-level hardware control, automates circuit submission and result collection, and supports fine-grained circuit-level job scheduling and recovery. The architecture employs a dual-end application programming interface (API) design, enabling robust operation across unstable or resource-constrained hardware backends. For practical use, the framework is lightweight and user-friendly, allowing rapid prototyping of full-stack workflows using basic Python tools. We validate this workflow on a high-fidelity trapped-ion quantum computer by demonstrating a variational quantum eigensolver (VQE) experiment with a classically bootstrapped ansatz initialization technique. The system successfully executed over 60,000 circuits across multiple molecular test cases with minimal human intervention, highlighting the framework’s effectiveness in enabling reproducible, resilient quantum experimentation in academic settings.

Clifford↗
DOE OSTI2016

Resilience Design Patterns - A Structured Approach to Resilience at Extreme Scale (version 1.0)

Reliability is a serious concern for future extreme-scale high-performance computing (HPC) systems. Projections based on the current generation of HPC systems and technology roadmaps suggest that very high fault rates in future systems. The errors resulting from these faults will propagate and generate various kinds of failures, which may result in outcomes ranging from result corruptions to catastrophic application crashes. Practical limits on power consumption in HPC systems will require future systems to embrace innovative architectures, increasing the levels of hardware and software complexities. The resilience challenge for extreme-scale HPC systems requires management of various hardware and software technologies that are capable of handling a broad set of fault models at accelerated fault rates. These techniques must seek to improve resilience at reasonable overheads to power consumption and performance. While the HPC community has developed various solutions, application-level as well as system-based solutions, the solution space of HPC resilience techniques remains fragmented. There are no formal methods and metrics to investigate and evaluate resilience holistically in HPC systems that consider impact scope, handling coverage, and performance & power eciency across the system stack. Additionally, few of the current approaches are portable to newer architectures and software ecosystems, which are expected to be deployed on future systems. In this document, we develop a structured approach to the management of HPC resilience based on the concept of resilience-based design patterns. A design pattern is a general repeatable solution to a commonly occurring problem. We identify the commonly occurring problems and solutions used to deal with faults, errors and failures in HPC systems. The catalog of resilience design patterns provides designers with reusable design elements. We define a design framework that enhances our understanding of the important constraints and opportunities for solutions deployed at various layers of the system stack. The framework may be used to establish mechanisms and interfaces to coordinate flexible fault management across hardware and software components. The framework also enables optimization of the cost-benefit trade-os among performance, resilience, and power consumption. The overall goal of this work is to enable a systematic methodology for the design and evaluation of resilience technologies in extreme-scale HPC systems that keep scientific applications running to a correct solution in a timely and cost-ecient manner in spite of frequent faults, errors, and failures of various types.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Resilience Design Patterns - A Structured Approach to Resilience at Extreme Scale (version 1.1)

Reliability is a serious concern for future extreme-scale high-performance computing (HPC) systems. Projections based on the current generation of HPC systems and technology roadmaps suggest the prevalence of very high fault rates in future systems. The errors resulting from these faults will propagate and generate various kinds of failures, which may result in outcomes ranging from result corruptions to catastrophic application crashes. Therefore the resilience challenge for extreme-scale HPC systems requires management of various hardware and software technologies that are capable of handling a broad set of fault models at accelerated fault rates. Also, due to practical limits on power consumption in HPC systems future systems are likely to embrace innovative architectures, increasing the levels of hardware and software complexities. As a result the techniques that seek to improve resilience must navigate the complex trade-off space between resilience and the overheads to power consumption and performance. While the HPC community has developed various resilience solutions, application-level techniques as well as system-based solutions, the solution space of HPC resilience techniques remains fragmented. There are no formal methods and metrics to investigate and evaluate resilience holistically in HPC systems that consider impact scope, handling coverage, and performance & power efficiency across the system stack. Additionally, few of the current approaches are portable to newer architectures and software environments that will be deployed on future systems. In this document, we develop a structured approach to the management of HPC resilience using the concept of resilience-based design patterns. A design pattern is a general repeatable solution to a commonly occurring problem. We identify the commonly occurring problems and solutions used to deal with faults, errors and failures in HPC systems. Each established solution is described in the form of a pattern that addresses concrete problems in the design of resilient systems. The complete catalog of resilience design patterns provides designers with reusable design elements. We also define a framework that enhances a designer's understanding of the important constraints and opportunities for the design patterns to be implemented and deployed at various layers of the system stack. This design framework may be used to establish mechanisms and interfaces to coordinate flexible fault management across hardware and software components. The framework also supports optimization of the cost-benefit trade-offs among performance, resilience, and power consumption. The overall goal of this work is to enable a systematic methodology for the design and evaluation of resilience technologies in extreme-scale HPC systems that keep scientific applications running to a correct solution in a timely and cost-efficient manner in spite of frequent faults, errors, and failures of various types.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Asynchronous Runtimes in Action: An Introspective Framework for a Next Gen Runtime

One of the most critical challenges that new high performance systems face is the lack of system software support for these large scale systems. Investment on system stack components is essential in the development, debugging and optimization of the new emerging programming models. These emerging models have the promise to better utilize the vast hardware resources available in current and future systems. To aid in the development of applications and new system stacks, runtimes, as instances of their respective execution models, need to produce facilities to introspect their inner workings and allow an indepth attribution of performance bottlenecks and computational patterns. In other words, the runtime systems need to reduce their opacity to observers so that users of a novel program execution model can adapt their designs to fit the intended model usage, regardless of the layer that they are working on. This design/development loop (akin to co-design) enables synergistic opportunities across the entire computational stack. This paper presents the design and implementation of a simple “gray” box performance attribution harness running inside a fine grain runtime system: the Open Community Runtime (OCR). We showcase what such a framework can indicate regarding the runtime behavior while running at scale. To this end, we have designed a set of synthetic scenarios aimed to test the runtime at their best and worst cases. We present an analysis of the most important runtime features, properties and idiosyncrasies that will affect the development of new runtime features, algorithmic selection, and application development.

high performance distributed runtimes↗
NASA NTRS1997

Calibrating the WFPC2 astrometry for MDS

The Hubble Space Telescope (HST) Medium Deep Survey has optimized an automated procedure to associate and stack WFPC2 data. The coordinates listed in HST WFPC2 image and/or jitter file headers are often found to be insufficient to stack images for cosmic ray removal. We discuss results from software developed for the HST Medium Deep Survey (MDS) pipeline to evaluate these shifts by cross-correlation of the images. We will also discuss the distortion of the pre-cool-down WFPC2 field and attempts to derive absolute coordinates for MDS WFPC2 observations using the USNO-Al.0 half billion object catalog.

Ratnatunga, Kavan U.↗
DOE OSTI2016

Three-Dimensional FIB/EBSD Characterization of Irradiated HfAl3-Al Composite

A thermal neutron absorbing material, comprised of 28.4 vol% HfAl3 in an Al matrix, was developed to serve as a conductively cooled thermal neutron filter to enable fast flux materials and fuels testing in a pressurized water reactor. In order to observe the microstructural change of the HfAl3-Al composite due to neutron irradiation, an EBSD-FIB characterization approach is developed and presented in this paper. Using the focused ion beam (FIB), the sample was fabricated to 25µm × 25µm × 20 µm and mounted on the grid. A series of operations were carried out repetitively on the sample top surface to prepare it for scanning electron microscopy (SEM). First, a ~100-nm layer was removed by high voltage FIB milling. Then, several cleaning passes were performed on the newly exposed surface using low voltage FIB milling to improve the SEM image quality. Last, the surface was scanned by Electron Backscattering Diffraction (EBSD) to obtain the two-dimensional image. After 50 to 100 two-dimensional images were collected, the images were stacked to reconstruct a three-dimensional model using DREAM.3D software. Two such reconstructed three-dimensional models were obtained from samples of the original and post-irradiation HfAl3-Al composite respectively, from which the most significant microstructural change caused by neutron irradiation apparently is the size reduction of both HfAl3 and Al grains. The possible reason is the thermal expansion and related thermal strain from the thermal neutron absorption. This technique can be applied to three-dimensional microstructure characterization of irradiated materials.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Three-dimensional FIB/EBSD characterization of irradiated HfAl{sub 3}-Al composite

A thermal neutron-absorbing composite comprised of 28.4 vol.% HfAl{sub 3} intermetallic particles in an Al matrix, developed for use in a conduction-cooled thermal neutron filter, will enable fast flux irradiation of materials and fuels in an existing pressurized water test reactor. In this paper, an EBSD-FIB characterization approach is used to observe the microstructural changes of the HfAl{sub 3}-Al composite in response to simulated long-term neutron irradiation. Using a focused ion beam (FIB), the sample was fabricated to 25 μm x 25 μm x 20 μm and mounted on a transmission electron microscopy (TEM) grid. A series of operations were carried out repeatedly on the sample's top surface to prepare it for scanning electron microscopy (SEM). First, a ∼ 100-nm layer was removed by high voltage FIB milling. Then, several cleaning passes were performed on the newly exposed surface using low voltage FIB milling to improve the SEM image quality. The surface was then scanned by Electron Backscattering Diffraction (EBSD) to obtain a two-dimensional image. After 50 to 100 two-dimensional images were collected, the images were stacked to reconstruct a three-dimensional model using DREAM.3D software. Two such reconstructed three dimensional models were obtained from samples of the original and post-irradiation HfAl{sub 3}-Al composite, from which the most significant microstructural change caused by neutron irradiation appears to be the size reduction of both HfAl{sub 3} and Al grains. Possible causes include thermal expansion and related thermal strain from thermal neutron capture. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2006

Crew Launch Vehicle (CLV) Avionics and Software Integration Overview

On January 14, 2004, the President of the United States announced a new plan to explore space and extend a human presence across our solar system. The National Aeronautics and Space Administration (NASA) established the Exploration Systems Mission Directorate (ESMD) to develop and field a Constellation Architecture that will bring the Space Exploration vision to fruition. The Constellation Architecture includes a human-rated Crew Launch Vehicle (CLV) segment, managed by the Marshall Space Flight Center (MSFC), comprised of the First Stage (FS), Upper Stage (US), and Upper Stage Engine (USE) elements. The CLV s purpose is to provide safe and reliable crew and cargo transportation into Low Earth Orbit (LEO), as well as insertion into trans-lunar trajectories. The architecture's Spacecraft segment includes, among other elements, the Crew Exploration Vehicle (CEV), managed by the Johnson Space Flight Center (JSC), which is launched atop the CLV. MSFC is also responsible for CLV and CEV stack integration. This paper provides an overview of the Avionics and Software integration approach (which includes the Integrated System Health Management (ISHM) functions), both within the CLV, and across the CEV interface; it addresses the requirements to be met, logistics of meeting those requirements, and the roles of the various groups. The Avionics Integration and Vehicle Systems Test (ANST) Office was established at the MSFC with system engineering responsibilities for defining and developing the integrated CLV Avionics and Software system. The AIVST Office has defined two Groups, the Avionics and Software Integration Group (AVSIG), and the Integrated System Simulation and Test Integration Group (ISSTIG), and four Panels which will direct trade studies and analyses to ensure the CLV avionics and software meet CLV system and CEV interface requirements. The four panels are: 1) Avionics Integration Panel (AIP), 2) Software Integration Panel, 3) EEE Panel, and 4) Systems Simulation and Test Panel. Membership on the groups and panels includes the MSFC representatives from the requisite engineering disciplines, the First Stage, the Upper Stage, the Upper Stage Engine projects, and key personnel from other NASA centers. The four panels will take the results of trade studies and analyses and develop documentation in support of Design Analysis Cycle Reviews and ultimately the System Requirements Review.

Monell, Donald W.↗
NASA NTRS1976

Hardware additions to microprocessor architecture aid software development

An address trap (breakpoint) mechanism and last-in-first-out (LIFO) address stack are suggested as two additions to the basic microprocessor architecture whose functions are solely to aid the programmer. These devices provide the programmer with the ability to specify address breakpoints and to trace program execution back through N instructions, where N is the depth of the stack. Both devices, plus interface logic and buffering, have been designed for an INTEL 8080-based system using approximately 25 integrated-circuit packages.

Sievers, M. W.↗
DOE OSTI2025

2025 Peregrine in-situ monitoring and training dataset for laser powder bed fusion and binder jet printers

Peregrine, a software tool developed at Oak Ridge National Laboratory (ORNL), was used to collect and analyze in-situ monitoring (ISM) data from a Concept Laser M2 (Colibrium Additive) laser powder bed fusion (L-PBF) printer and an ExOne Innovent (Desktop Metal) binder jet printer. Data for four builds (print jobs) were saved to HDF5 (high performance data) files for release. Additionally, process anomalies were annotated by the authors across 37 image stacks (i.e., print layers) and are also provided as HDF5 files.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Towards elastic in situ analysis for high-performance computing simulations

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

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Conduction Heat Transfer through Solid in Porous Materials: A Comparative Study by Finite-Element Simulations and Effective Medium Approximations

The development of insulation materials with low effective thermal conductivity is essential for energy savings in various applications, including buildings, food services, pipe insulation, and refrigeration. Such materials can be developed by using micro- or nanoporous structures, as well as low-thermal conductivity gases and/or reduced pressure. A variety of effective medium approximation (EMA) models have been developed to study thermal transport through solid in porous structures. However, in many cases, the impacts of porosity on solid conduction are not well predicted by EMA models because of the assumptions made for simplification. Furthermore, the results can vary by a factor of up to 1.5, depending on the morphology of the pores. Hence, proper guidance is needed to choose the appropriate EMA model for a given morphology. This work presents a finite element method study using COMSOL Multiphysics software for various geometries, including hollow cubes, overlapping hollow spheres (normally stacked and tightly packed), and Voronoi structures, and compares the results to those obtained from various EMA models. Simulation results for the hollow cubes and Voronoi structures matched well with the Maxwell-Eucken and Russell model. The results for hollow spheres closely matched the Bauer model and the Glicksman model with fitting parameters. This work provides guidance on analyzing and designing insulation materials for energy savings in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Large Scale Screening of Low Cost Ferritic Steel Designs For Advanced Ultra Supercritical Boiler Using First Principles Methods

Advanced Ultra Supercritical Boiler (AUSC) requires materials that can operate in corrosive environment at temperature and pressure as high as 760°C (or 1400°F) and 5000psi, respectively, while at the same time maintain good ductility at low temperature. We develop automated simulation software tools to enable fast large scale screening studies of candidate designs. While direct evaluation of creep rupture strength and ductility are currently not feasible, properties such as energy, elastic constants, surface energy, interface energy, and stack fault energy can be used to assess their relative ductility and creeping strength. We implemented software to automate the complex calculations to minimize human inputs in the tedious screening studies which involve model structures generation, settings for first principles calculations, results analysis and reporting. The software developed in the project and library of computed mechanical properties of phases found in ferritic steels, many are complex solid solutions estimated for the first time, will certainly help the development of low cost ferritic steel for AUSC.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Detector Interface for Streaming, Control, and Open-source integration (DISCO) v1.0.0

This suite consists of a multi-package ecosystem featuring detector emulators, EPICS areaDetector drivers, and remote server frameworks designed for the Advanced Light Source (ALS). Engineered for high-bandwidth devices—including VFCCD, Timepix3, Timepix4, and related pixel detectors—the software simulates hardware, wraps vendor SDKs into remote-callable servers, and integrates with open-source control systems. Key Capabilities: Distributed SDK Architecture: Server packages wrap hardware-specific SDKs, allowing areaDetector drivers to execute remote framework calls. This isolates proprietary libraries from the EPICS IOC, enhancing stability and enabling distributed computing across beamline networks. Device Support: Custom drivers for VFCCD, the Timepix family, and similar sensors optimize the data path from hardware control to high-speed transport. Full-Stack Emulation: Sophisticated emulator packages allow end-to-end pipeline testing and software development without requiring physical hardware or beam time. Integrated Workflows: Supports high-bandwidth streaming for real-time analysis and robust, metadata-rich file-based workflows (e.g., HDF5/NeXus). By standardizing interfaces across heterogeneous hardware, this suite reduces technical debt. It provides the ALS with a scalable, open-source solution to manage massive data rates within a unified control environment.

Mahl, Johannes [Lawrence Berkeley National Laborat↗
NASA NTRSDate not supplied

Commanding Constellations (Pipeline Architecture)

Providing ground command software for constellations of spacecraft is a challenging problem. Reliable command delivery requires a feedback loop; for a constellation there will likely be an independent feedback loop for each constellation member. Each command must be sent via the proper Ground Station, which may change from one contact to the next (and may be different for different members). Dynamic configuration of the ground command software is usually required (e.g. directives to configure each member's feedback loop and assign the appropriate Ground Station). For testing purposes, there must be a way to insert command data at any level in the protocol stack. The Pipeline architecture described in this paper can support all these capabilities with a sequence of software modules (the pipeline), and a single self-identifying message format (for all types of command data and configuration directives). The Pipeline architecture is quite simple, yet it can solve some complex problems. The resulting solutions are conceptually simple, and therefore, reliable. They are also modular, and therefore, easy to distribute and extend. We first used the Pipeline architecture to design a CCSDS (Consultative Committee for Space Data Systems) Ground Telecommand system (to command one spacecraft at a time with a fixed Ground Station interface). This pipeline was later extended to include gateways to any of several Ground Stations. The resulting pipeline was then extended to handle a small constellation of spacecraft. The use of the Pipeline architecture allowed us to easily handle the increasing complexity. This paper will describe the Pipeline architecture, show how it was used to solve each of the above commanding situations, and how it can easily be extended to handle larger constellations.

Tim Ray↗