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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

SetGo: Metadata Readiness for Scientific AI Datasets

Scientific datasets intended for AI use require both computational readiness for model training and metadata readiness for discovery, sharing, and reuse. The Readiness Engine for Data Integration (REDI) addresses computational readiness, but no corresponding tool evaluates whether a dataset’s metadata are sufficiently complete, governed, and standards-compliant for publication and agent-based consumption. Existing FAIR assessors operate only on published repository records, and no single system covers FAIR compliance, licensing, provenance, governance, reproducibility, and catalog readiness together. We present SetGo, an open-source Python toolkit that assesses and repairs metadata readiness across these six dimensions before a dataset is published or archived. Applied to four scientific corpora, SetGo surfaces deficiencies that general-purpose tools do not detect: ERA5 climate metadata scores 4% on ACDD 1.3 compliance; materials datasets fail OPTIMADE species-definition requirements; and PDB-derived proteomics data carries licensing terms incompatible with standard SPDX identifiers. Guided enrichment raises overall FAIR scores from 52–57% to 81–91%, and a single setgo publish command pushes to Hugging Face Hub, CKAN, or OpenMetadata with ML Commons Croissant 1.0 metadata sidecars. To support interactive and automated workflows, SetGo integrates with coding agents powered by large language models (LLMs) through a /setgo skill that enables natural-language execution of the full assess–enrich–publish loop, with user involvement limited to supplying missing metadata values.

Wilkinson, Sean [ORNL] (ORCID:0000000214437479)↗
DOE OSTI2023

Artificial intelligence for materials research at extremes

Abstract Materials development is slow and expensive, taking decades from inception to fielding. For materials research at extremes, the situation is even more demanding, as the desired property combinations such as strength and oxidation resistance can have complex interactions. Here, we explore the role of AI and autonomous experimentation (AE) in the process of understanding and developing materials for extreme and coupled environments. AI is important in understanding materials under extremes due to the highly demanding and unique cases these environments represent. Materials are pushed to their limits in ways that, for example, equilibrium phase diagrams cannot describe. Often, multiple physical phenomena compete to determine the material response. Further, validation is often difficult or impossible. AI can help bridge these gaps, providing heuristic but valuable links between materials properties and performance under extreme conditions. We explore the potential advantages of AE along with decision strategies. In particular, we consider the problem of deciding between low-fidelity, inexpensive experiments and high-fidelity, expensive experiments. The cost of experiments is described in terms of the speed and throughput of automated experiments, contrasted with the human resources needed to execute manual experiments. We also consider the cost and benefits of modeling and simulation to further materials understanding, along with characterization of materials under extreme environments in the AE loop. Graphical abstract AI sequential decision-making methods for materials research: Active learning, which focuses on exploration by sampling uncertain regions, Bayesian and bandit optimization as well as reinforcement learning (RL), which trades off exploration of uncertain regions with exploitation of optimum function value. Bayesian and bandit optimization focus on finding the optimal value of the function at each step or cumulatively over the entire steps, respectively, whereas RL considers cumulative value of the labeling function, where the latter can change depending on the state of the system (blue, orange, or green).

36 MATERIALS SCIENCE↗
DOE OSTI2015

Preshot Calculations for a Small-Scale HE Experiment. Overview and Results for Symmetric Configurations

Explosively-driven magnetic flux compression generators create substantial currents (10’s of mega-amps) by compressing magnetic fields initially created by injected seed currents. In a Ranchero generator it is the field between two cylinders of aluminum that is compressed when the inner cylinder (armature) is driven across the magnetized gap toward the second cylinder (stator). All Rancheros to date have used the explosive PBXN-110, but future devices are expected to use PBX-9501 because of several advantages of the latter over the former. For Ranchero applications, though, a potentially important disadvantage stems from the requirement that the large PBX-9501 charges (15 to 50 kg) must built up from smaller machined pieces rather than cast into the appropriate shape as with PBXN-110. Calculations and related experiments raise the possibility that jetting may occur at gaps between machined pieces of PBX-9501 and lead to localized failure of the soft aluminum armature causing premature contact of the armature with the stator or, in the most extreme case, a severing of the armature into separate pieces and a subsequent loss of current. A set of small-scale experiments has been designed to provide Ranchero designers and users insight into the effects of gaps and also to provide useful data for the validation of Ranchero calculations. These experiments should be executed in early May 2015. The code Rage was used to model the small-scale experiment and this paper presents the results. The emphasis here is on the calculations and the experimental details are limited, so the interested reader is referred to reference 5 for a fuller description of the experimental configuration and diagnostics. Less-interested readers may be interested in only a summary of results and are directed to the “Summary of key results” section later in this paper.

36 MATERIALS SCIENCE↗
DOE OSTI2024

FY24 Progress Report: SRNL Analysis of ICCWR LCM and WAMS data for Corrosion and Cracking

Algorithms for Machine Learning (ML) and data analysis for the 3013 Surveillance Program have been developed in an ongoing collaborative effort by the Savannah River National Laboratory (SRNL) and the University of South Carolina (USC). The objective of the algorithms is to automate the identification of corrosion and crack formation in the Inner Container Closure Weld Region (ICCWR) of the canister system used to store Pu-bearing material. Data for corrosion and cracking is collected from large binary files generated by a Laser Confocal Microscope (LCM), the Wide Area 3D Measurement System (WAMS), or,in a recent proposal, by a Scanning Electron Microscope (SEM). The ML software uses the physical attributes in the data files (e.g., one or more of: height, color, and 16-bit grayscale values as functions of position in a plane projection) to detect signs of surface corrosion and cracking after being trained on similar data, with the features to be detected. Although the initial scope included screening for broader indicators of corrosion, e.g., pitting, identification of potential cracks was prioritized for the past several years at the request of program leadership. Labeled training data is essential to developing the ML algorithm, and enhancements to data labeling capability have been developed to address this essential precursor to application of ML routines. Efficient labeling is particularly important in view of the large volume of data required to train ML algorithms and the relative rarity of cracks in the ICCWR data set. The updated program will read binary data from either LCM, WAMS or SEM files, interrogate data attributes, facilitate user labeling of data for training ML algorithms, execute ML algorithms, output parameters from trained ML algorithms, report ML model accuracy with respect to labeled data, and generate graphical representations for various analyses. In FY24, hourglass neural networks (HNNs) that were initiated in FY22 were further developed and tested using available LCM data, and their performance was tested against that of the alternative U-Net Neural Network algorithm structure. HNNs along with previously developed Convolutional Neural Networks (CNNs) and Deep Neural Networks (DNNs) comprise a suite of ML tools for identification of cracks in the ICCWR

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Simulation Tools for Characterizing Stress Distribution in Laser Welded Dissimilar Joints

This project focuses on developing a thermo-metallurgical-mechanical modeling method to accurately predict the microstructural evolution and residual stress in laser welding between dissimilar metals, such as HSLA steel and high carbon equivalent (CE) gear steel. The method leverages a comprehensive material database to model the temperature and rate dependent phase transformations, along with their associated effects on material properties, such as thermal expansion and flow stress, throughout the welding process. A key innovation is the incorporation of phase transformation and phase-specific properties, which enhances the accuracy of residual stress predictions. The mixture material in the fusion zone due to the dissimilar metals will also be addressed in the numerical model. This is especially critical in scenarios involving phase transformations in the fusion zone and heat-affected zone (HAZ), where the phase changes can induce substantial residual stress variations. The material database has been generated using JMatPro. The modeling approach is implemented through a custom User Material (UMAT) subroutine, executed with the commercial finite element software Abaqus.

36 MATERIALS SCIENCE↗
NASA NTRS1979

ATLAS, an integrated structural analysis and design system. Volume 1: ATLAS user's guide

Some of the many analytical capabilities provided by the ATLAS Version 4.0 System in the logical sequence are described in which model-definition data are prepared and the subsequent computer job is executed. The example data presented and the fundamental technical considerations that are highlighted can be used as guides during the problem solving process. This guide does not describe the details of the ATLAS capabilities, but provides an introduction to the new user of ATLAS to the level at which the complete array of capabilities described in the ATLAS User's Manual can be exploited fully.

Dreisbach, R. L.↗
NASA NTRS1984

Development and analysis of the Software Implemented Fault-Tolerance (SIFT) computer

SIFT (Software Implemented Fault Tolerance) is an experimental, fault-tolerant computer system designed to meet the extreme reliability requirements for safety-critical functions in advanced aircraft. Errors are masked by performing a majority voting operation over the results of identical computations, and faulty processors are removed from service by reassigning computations to the nonfaulty processors. This scheme has been implemented in a special architecture using a set of standard Bendix BDX930 processors, augmented by a special asynchronous-broadcast communication interface that provides direct, processor to processor communication among all processors. Fault isolation is accomplished in hardware; all other fault-tolerance functions, together with scheduling and synchronization are implemented exclusively by executive system software. The system reliability is predicted by a Markov model. Mathematical consistency of the system software with respect to the reliability model has been partially verified, using recently developed tools for machine-aided proof of program correctness.

Goldberg, J.↗
NASA NTRS1986

Airport-Noise Levels and Annoyance Model (ALAMO) system's reference manual

The airport-noise levels and annoyance model (ALAMO) is described in terms of the constituent modules, the execution of ALAMO procedure files, necessary for system execution, and the source code documentation associated with code development at Langley Research Center. The modules constituting ALAMO are presented both in flow graph form, and through a description of the subroutines and functions that comprise them.

Deloach, R.↗
NASA NTRS1986

Performance measurements of a data link protocol

The end-to-end performance of a program implementing IEEE Std 802.2 logical link control protocol, which provides virtual circuit and datagram service and which constitutes the top sublayer of the data link layer of the reference model for Local Area Networks is studied. The measurements of relative execution times of various functions required in transferring data, over virtual circuits or as datagrams, showed that most of the program execution time is spent in a few relatively low-level functions. One of these functions performs block movement of data in memory, and two other functions provide access to various queues. Based on this result, two alternative versions of the program which move data efficiently were written and measured. In this paper the results of the study are reported and their impact on designing hardware and software systems for a network interface are discussed.

Kanakia, Hemant↗
NASA NTRS1993

Performance analysis of a robotic system for space-based assembly

A dual arm system for space-based assembly has been under development and experimentation at the Center of Intelligent Robotic Systems for Space Exploration. This paper will describe the components of this system and will then focus on the specific problem of predicting response time of the integrated system. This hierarchical system consists of a task representation and planning level, a coordination level, and an execution level to carry out the desired assembly task. A common modeling methodology based on Petri nets was used to model the various subtasks throughout the levels of the hierarchy. The Petri net model can then be analyzed for liveness and boundedness that, in turn, are used to detect the existence of deadlock or conflict in the system. The model can also be used to calculate the time it will take to complete an assembly task once an operator issues a command. These modeling results are compared with the actual experimental results obtained from carrying out the assembly task.

Desrochers, Alan↗
NASA NTRS1993

GTARG - The TOPEX/Poseidon ground track maintenance maneuver targeting program

GTARG is a computer program used to design orbit maintenance maneuvers for the TOPEX/Poseidon satellite. These maneuvers ensure that the ground track is kept within +/-1 km with of an = 9.9 day exact repeat pattern. Maneuver parameters are determined using either of two targeting strategies: longitude targeting, which maximizes the time between maneuvers, and time targeting, in which maneuvers are targeted to occur at specific intervals. The GTARG algorithm propagates nonsingular mean elements, taking into account anticipated error sigma's in orbit determination, Delta v execution, drag prediction and Delta v quantization. A satellite unique drag model is used which incorporates an approximate mean orbital Jacchia-Roberts atmosphere and a variable mean area model. Maneuver Delta v magnitudes are targeted to precisely maintain either the unbiased ground track itself, or a comfortable (3 sigma) error envelope about the unbiased ground track.

Shapiro, Bruce E.↗
NASA NTRS1994

Rotordynamic forces in labyrinth seals: Theory and experiment

A theoretical and experimental investigation of the aerodynamic forces generated by a single gland labyrinth seal executing a simultaneous spinning/whirling motion has been conducted. A lumped parameter model for a single gland seal with coupling to an upstream cavity with leakage is developed along with an appropriate solution technique. From this theory, it is shown that the presence of the upstream cavity can, in some cases, augment the cross-stiffness and direct damping by a factor of four. The parameters that govern the coupling are presented along with predictions on their influence. A simple uncoupled model is used to identify the mechanisms responsible for cross force generation. This reduced system is nondimensionalized and the physical significance of the reduced parameters is discussed. Closed form algebraic formulas are given for some simple limiting cases. It is also shown that the total cross-force predicted by the uncoupled model can be represented as the sum of an ideal component due to an inviscid flow with entry swirl and a viscous part due to the change in swirl created by friction inside the gland. The frequency dependent ideal part is solely responsible for the rotordynamic direct damping. The facility designed and built to measure these frequency dependent forces is described. Experimental data confirm the validity and usefulness of this ideal/viscous decomposition. A method for calculating the damping coefficients based on the force decomposition using only the static measurements is presented. Experimental results supporting the predicted cross force augmentation due to the effect of upstream coupling are presented.

Millsaps, Knox T.↗
NASA NTRS1997

High Performance Object-Oriented Scientific Programming in Fortran 90

We illustrate how Fortran 90 supports object-oriented concepts by example of plasma particle computations on the IBM SP. Our experience shows that Fortran 90 and object-oriented methodology give high performance while providing a bridge from Fortran 77 legacy codes to modern programming principles. All of our object-oriented Fortran 90 codes execute more quickly thatn the equeivalent C++ versions, yet the abstraction modelling capabilities used for scentific programming are comparably powereful.

Scientific Programming↗
NASA NTRS2014

Evolution of Software-Only-Simulation at NASA IV and V

Software-Only-Simulations have been an emerging but quickly developing field of study throughout NASA. The NASA Independent Verification Validation (IVV) Independent Test Capability (ITC) team has been rapidly building a collection of simulators for a wide range of NASA missions. ITC specializes in full end-to-end simulations that enable developers, VV personnel, and operators to test-as-you-fly. In four years, the team has delivered a wide variety of spacecraft simulations that have ranged from low complexity science missions such as the Global Precipitation Management (GPM) satellite and the Deep Space Climate Observatory (DSCOVR), to the extremely complex missions such as the James Webb Space Telescope (JWST) and Space Launch System (SLS).This paper describes the evolution of ITCs technologies and processes that have been utilized to design, implement, and deploy end-to-end simulation environments for various NASA missions. A comparison of mission simulators are discussed with focus on technology and lessons learned in complexity, hardware modeling, and continuous integration. The paper also describes the methods for executing the missions unmodified flight software binaries (not cross-compiled) for verification and validation activities.

Embedded↗
NASA NTRS2017

Simulation of Guided-Wave Ultrasound Propagation in Composite Laminates: Benchmark Comparisons of Numerical Codes and Experiment

Ultrasonic wave methods constitute the leading physical mechanism for nondestructive evaluation (NDE) and structural health monitoring (SHM) of solid composite materials, such as carbon fiber reinforced polymer (CFRP) laminates. Computational models of ultrasonic wave excitation, propagation, and scattering in CFRP composites can be extremely valuable in designing practicable NDE and SHM hardware, software, and methodologies that accomplish the desired accuracy, reliability, efficiency, and coverage. The development and application of ultrasonic simulation approaches for composite materials is an active area of research in the field of NDE. This paper presents comparisons of guided wave simulations for CFRP composites implemented using four different simulation codes: the commercial finite element modeling (FEM) packages ABAQUS, ANSYS, and COMSOL, and a custom code executing the Elastodynamic Finite Integration Technique (EFIT). Benchmark comparisons are made between the simulation tools and both experimental laser Doppler vibrometry data and theoretical dispersion curves. A pristine and a delamination type case (Teflon insert in the experimental specimen) is studied. A summary is given of the accuracy of simulation results and the respective computational performance of the four different simulation tools.

Composite↗
NASA NTRSDate not supplied

Digital Prototyping Methods to Enable Product Development Analysis Cycle Compression in Aerospace Systems

Historically, the product development life cycle (spanning from origination of a systems concept to initial delivery or fielding) for large-scale aerospace systems is 10-25 years. Examples of recent programs exhibiting this timeline are the Space Shuttle (13 years), , International Space Station (18 years), NASA Hubble telescope (16 years), USAF F-35 Strike Fighter (22 years), Missile Defense Agency THAAD (21 years), USAF V-22 Osprey (26 years), USAF B-2 Spirt (19 years), US Army RAH-66 Comanche (22 years, cancelled prior to fielding), James Webb Space Telescope (25 years), Space Launch System (10 years). This list illustrates the challenges of developing and fielding a modern integrated multi-disciplinary aerospace system. These development timelines are often preceded by significant research and development programs and followed by multiple increments, blocks, or spirals to reach planned operational capability. In the modern era of aerospace system acquisition, there is significant pressure to reduce system development timelines to meet system objectives and enable competitiveness in the current industry and landscape. Across the aerospace industry, a range of rapid acquisition and prototyping programs are seeking to achieve system development within timelines considerably less than 10 years. Notably, in September of 2019, NASA issued a solicitation for the development and demonstration of a Human Landing System (HLS) to deliver humans to the lunar surface by 2024 (5 years) and for the development and demonstration of a more sustainable HLS by 2026 (7 years). Lengthy product development cycle timelines are a product of multiple factors ranging from programmatic, sociological, technical, and systems engineering issues. New approaches in systems engineering provide new ways to enable these compressed development timelines. These approaches employ expanded application of advanced systems engineering methods and cross-cutting digital tools to accelerate system development, utilizing digital prototyping to connect maturing sub-system or component technologies into system or system-of-systems hardware prototypes. Approaches such as the use of system integrating physics relationships to reduce the number of design analysis cycle iterations and state analysis modeling to reduce necessary software testing (and improving coverage of system execution scenarios) represent steps forward in reducing the engineering time needed to field new systems. In addition to cost, schedule and performance benefits, expanded digital exploration and demonstration reduce risk in live system test and demonstration. This incremental demonstration approach, where digital prototyping and demonstration leads and informs full system test and demonstration, could be more important for space applications because of the increased difficulty of test and demonstration of space systems and architectures. The Advanced Concepts Office (ACO) at Marshall Space Flight Center merges traditional multi-disciplinary concept definition methods with modern, cross-cutting systems engineering concepts to enable iterative design and analysis of space architectures and systems through coordinated, strategic management of human capital, technical processes, and technology. This paper provides an overview of that approach, including recent examples and a strategic path forward to enabling continued reduction of aerospace system product development life cycles.

Michael D Watson↗
DOE OSTI2020

Autonomous reconfigurable virtual sensing system for cyber-attack neutralization

An industrial asset may be associated with a plurality of monitoring nodes, each monitoring node generating a series of monitoring node values over time representing current operation of the industrial asset. An abnormality detection computer may determine that at least one abnormal monitoring node is currently being attacked or experiencing a fault. A virtual sensing estimator may continuously execute an adaptive learning process to create or update virtual sensor models for the monitoring nodes. Responsive to an indication that a monitoring node is currently being attacked or experiencing a fault, the virtual sensing estimator may be dynamically reconfigured to estimate a series of virtual node values for the abnormal monitoring node or nodes based on information from normal monitoring nodes and appropriate virtual sensor models. The series of monitoring node values from the abnormal monitoring node or nodes may then be replaced with the virtual node values.

97 MATHEMATICS AND COMPUTING↗