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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 OSTI2021

Map Applications to Target Exascale Architecture with Machine-Specific Performance Analysis, Including Challenges and Projections

This Exascale Computing Project (ECP) milestone report summarizes the status of all 30 ECP Applications Development (AD) subprojects at the end of FY20. In October and November of 2020, a comprehensive assessment of AD projects was conducted by the ECP leadership. Reviews occurred virtually between October 27, 2020 and November 12, 2020. The review committee—consisting of the AD lead, deputy, and L3—was tasked with evaluating each subproject’s progress in porting their codes to early exascale architectures considered precursors to the planned exascale machines. This includes characterizing which modules have been ported to multi-accelerator nodes, initial performance analyses, the status of software integration, and a current vision of successes, obstacles, and next steps. As such, this report contains not only an accurate snapshot of each subproject’s current status but also represents an unprecedentedly broad account of experiences in porting large scientific applications to next-generation high-performance computing architectures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Multilevel Monte Carlo Estimators For Derivative-Free Optimization Under Uncertainty

Optimization is a key tool for scientific and engineering applications; however, in the presence of models affected by uncertainty, the optimization formulation needs to be extended to consider statistics of the quantity of interest. Optimization under uncertainty (OUU) deals with this endeavor and requires uncertainty quantification analyses at several design locations; i.e., its overall computational cost is proportional to the cost of performing a forward uncertainty analysis at each design location. An OUU workflow has two main components: an inner loop strategy for the computation of statistics of the quantity of interest, and an outer loop optimization strategy tasked with finding the optimal design, given a merit function based on the inner loop statistics. Here, in this work, we propose to alleviate the cost of the inner loop uncertainty analysis by leveraging the so-called multilevel Monte Carlo (MLMC) method, which is able to allocate resources over multiple models with varying accuracy and cost. The resource allocation problem in MLMC is formulated by minimizing the computational cost given a target variance for the estimator. We consider MLMC estimators for statistics usually employed in OUU workflows and solve the corresponding allocation problem. For the outer loop, we consider a derivative-free optimization strategy implemented in the SNOWPAC library; our novel strategy is implemented and released in the Dakota software toolkit. We discuss several numerical test cases to showcase the features and performance of our approach with respect to its Monte Carlo single fidelity counterpart.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1987

Structural dynamics system model reduction

Loads analysis for structural dynamic systems is usually performed by finite element models. Because of the complexity of the structural system, the model contains large number of degree-of-freedom. The large model is necessary since details of the stress, loads and responses due to mission environments are computed. However, a simplified model is needed for other tasks such as pre-test analysis for modal testing, and control-structural interaction studies. A systematic method of model reduction for modal test analysis is presented. Perhaps it will be of some help in developing a simplified model for the control studies.

Chen, J. C.↗
DOE OSTI2025

Pipeline for Integrated Projects in Energy Systems (PIPES): A Tool for Integrated System Planning [Slides]

The Pipeline for Integrated Projects in Energy Systems (PIPES) is a comprehensive project, data, and workflow management tool designed for integrated modeling teams. PIPES facilitates the management of data requirements, tasks, and progress tracking, serving as a higher-level integration layer that works across various data and modeling software. This tool integrates models, data, and tools to perform large-scale, integrated analysis work at scale. PIPES is designed to streamline integrated modeling projects, enhance collaboration, and ensure the quality and efficiency of data management and workflow processes. This presentation introduces PIPES a multi-model tool for integrated system planning; it describes the underlying architecture, deep dives into common user workflows, and outlines the upcoming development roadmap beyond its current alpha state.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

ChatMPI: LLM-Driven MPI Code Generation for HPC Workloads

The Message Passing Interface (MPI) standard plays a crucial role in enabling scientific applications for parallel computing and is an essential component in high-performance computing (HPC). However, implementing MPI code manually—especially applying a proper domain decomposition and communication pattern—is a challenging and error-prone task. We present ChatMPI, an AI assistant for MPI parallelization of sequential C codes. In our analysis, we focus on testing six essential HPC workloads, which are based on Basic Linear Algebra Subprograms levels 1, 2, and 3 as well as sparse, stencil, and iterative operations. We analyze the process of creating ChatMPI by using the ChatHPC library. This lightweight large language model (LLM)–based infrastructure enables HPC experts to efficiently create and supervise trustworthy AI capabilities for critical HPC software tasks. We study the data required for training (fine-tuning) ChatMPI to generate parallel codes that not only use MPI syntax correctly but also apply HPC techniques to reduce memory communication and maximize performance by using proper work decomposition. With a relatively small training dataset composed of a few dozen prompts and fewer than 15 minutes of fine-tuning on one node equipped with two NVIDIA H100 GPUs, ChatMPI elevates trustworthiness for MPI code generation of current LLMs (e.g., Code Llama, ChatGPT-4o and ChatGPT 5). Additionally, we evaluate the performance of the MPI codes generated by ChatMPI in comparison with the ones generated by ChatGPT-4o and ChatGPT-5. The codes generated by ChatMPI provide up to a 4 × boost in performance by using better problem decomposition, communication patterns, and HPC techniques (e.g., communication avoiding).

Valero Lara, Pedro [ORNL] (ORCID:0000000214794310)↗
NASA NTRS1992

An expert system for integrated structural analysis and design optimization for aerospace structures

The results of a research study on the development of an expert system for integrated structural analysis and design optimization is presented. An Object Representation Language (ORL) was developed first in conjunction with a rule-based system. This ORL/AI shell was then used to develop expert systems to provide assistance with a variety of structural analysis and design optimization tasks, in conjunction with procedural modules for finite element structural analysis and design optimization. The main goal of the research study was to provide expertise, judgment, and reasoning capabilities in the aerospace structural design process. This will allow engineers performing structural analysis and design, even without extensive experience in the field, to develop error-free, efficient and reliable structural designs very rapidly and cost-effectively. This would not only improve the productivity of design engineers and analysts, but also significantly reduce time to completion of structural design. An extensive literature survey in the field of structural analysis, design optimization, artificial intelligence, and database management systems and their application to the structural design process was first performed. A feasibility study was then performed, and the architecture and the conceptual design for the integrated 'intelligent' structural analysis and design optimization software was then developed. An Object Representation Language (ORL), in conjunction with a rule-based system, was then developed using C++. Such an approach would improve the expressiveness for knowledge representation (especially for structural analysis and design applications), provide ability to build very large and practical expert systems, and provide an efficient way for storing knowledge. Functional specifications for the expert systems were then developed. The ORL/AI shell was then used to develop a variety of modules of expert systems for a variety of modeling, finite element analysis, and design optimization tasks in the integrated aerospace structural design process. These expert systems were developed to work in conjunction with procedural finite element structural analysis and design optimization modules (developed in-house at SAT, Inc.). The complete software, AutoDesign, so developed, can be used for integrated 'intelligent' structural analysis and design optimization. The software was beta-tested at a variety of companies, used by a range of engineers with different levels of background and expertise. Based on the feedback obtained by such users, conclusions were developed and are provided.

Source record↗
DOE OSTI2019

Context-Enriched Identification of Particles with a Convolutional Network for Neutrino Events

Particle detectors record the interactions of subatomic particles and their passage through matter. The identification of these particles is necessary for in-depth physics analysis. While particles can be identified by their individual behavior as they travel through matter, the full context of the interaction in which they are produced can aid the classification task substantially. We have developed the first convolutional neural network for particle identification which uses context information. This is also the first implementation of a four-tower siamese-type architecture both for separation of independent inputs and inclusion of context information. The network classifies clusters of energy deposits from the NOvA neutrino detectors as electrons, muons, photons, pions, and protons with an overall efficiency and purity of 83.3% and 83.5%, respectively. We show that providing the network with context information improves performance by comparing our results with a network trained without context information.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Data processing pipeline for Tianlai experiment

The Tianlai project is a 21cm intensity mapping experiment for detecting dark energy by measuring the baryon acoustic oscillation (BAO) features in the large scale structure power spectrum. This experiment provides an opportunity to test the data processing methods for cosmological 21cm signal extraction, which is still a great challenge in current radio astronomy research. The 21cm signal is much weaker than the foregrounds and easily aected by the imperfections in the instrumental responses. Furthermore, processing the large volumes of interferometer data poses a practical challenge. We have developed a data processing pipeline called tlpipe to process the drift scan survey data from the Tianlai experiment. It performs oine data processing tasks such as radio frequency interference (RFI) agging, array calibration, binning, and map-making, etc. It also includes utility functions needed for the data analysis, such as data selection, transformation, visualization and others. A number of new algorithms are implemented, for example the eigenvector decomposition method for array calibration and the Tikhnov regularization for m-mode analysis. In this paper we describe the design and implementation of the pipeline and illustrate its functions with some analysis of real data. Finally, we outline directions for future development of this publicly code.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Gradient-based optimization for regression in the functional tensor-train format

Predictive analysis of complex computational models, such as uncertainty quantification (UQ), must often rely on using an existing database of simulation runs. In this paper we consider the task of performing low-multilinear-rank regression on such a database. Specifically we develop and analyze an efficient gradient computation that enables gradient-based optimization procedures, including stochastic gradient descent and quasi-Newton methods, for learning the parameters of a functional tensor-train (FT). We compare our algorithms with 22 other nonparametric and parametric regression methods on 10 real-world data sets and show that for many physical systems, exploiting low-rank structure facilitates efficient construction of surrogate models. Here, we use a number of synthetic functions to build insight into behavior of our algorithms, including the rank adaptation and group-sparsity regularization procedures that we developed to reduce overfitting. Finally we conclude the paper by building a surrogate of a physical model of a propulsion plant on a naval vessel.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

MATEY: multiscale adaptive transformer models for spatiotemporal physical systems

Accurate representation of the multiscale features in spatiotemporal physical systems using vision transformer architectures requires extremely long, computationally prohibitive token sequences. To address this issue, we propose two novel adaptive tokenization schemes that dynamically adjust patch sizes based on local features: one ensures convergent behavior to uniform patch refinement, while the other offers better computational efficiency. Moreover, we present a set of spatiotemporal attention schemes, where the temporal or axial spatial dimensions are decoupled, to evaluate their baseline computational and data efficiencies and to determine whether adaptive tokenization can improve this performance. We assess the performance of the proposed multiscale adaptive model, MATEY, in a sequence of experiments. Compared to a full spatiotemporal attention scheme or a scheme that decouples only the temporal dimension, we find that fully decoupled axial attention is less efficient and expressive, requiring more training time and model parameters to achieve the same accuracy. The experiments on the adaptive tokenization schemes show that, compared to a uniformly refined model, the proposed schemes achieve comparable or improved accuracy at a much lower cost in the tested two-dimensional settings. While the asymptotic analysis suggests the potential for favorable scaling, empirical validation at substantially longer sequence lengths remains to be performed in future work. Finally, we demonstrate in two fine-tuning tasks featuring different physics that models pretrained on PDEBench data outperform the ones trained from scratch, especially in the low data regime with frozen attention.

adaptive tokenization↗
DOE OSTI2015

Mechanism for Clastogenic Activity of Naphthalene: Quarterly Technical Progress Report, March 2015

The project has two main goals: 1) Identify the types of adducts naphthalene (NA) forms with DNA and 2) determine whether adduct formation correlates with site selective tumor formation in defined subcompartments of the respiratory tract (respiratory and olfactory nasal epithelium and airways of mice, rats and rhesus monkeys). Five tasks are associated with the completion of the goals. Task 1: Contracting and Animal Use Approvals. IACUC and ACURO approvals are complete, The subcontract with UC Davis (UCD) was executed in December 2014. Task 2: Perform In Vitro Study for Goal 1. Rat samples exposed in December 2014. Task 3: Perform In Vitro Study for Goal 2. Mouse ex vivo samples completed. Rat and monkey samples need to be completed in the next quarter. Task 4: Sample Preparation and Analysis. Mouse Goal 2 samples completed. Other samples to remain to be done. Task 5: Data Interpretation and Reporting. Waiting for more data. Insufficient data to submit abstract to SOT by mid January 2015 deadline.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Mechanism for Clastogenic Activity of Naphthalene. Quarterly Technical Progress Report

The project has two main goals: 1) Identify the types of adducts naphthalene (NA) forms with DNA and 2) determine whether adduct formation correlates with site selective tumor formation in defined subcompartments of the respiratory tract (respiratory and olfactory nasal epithelium and airways of mice, rats and rhesus monkeys). Five tasks are associated with the completion of the goals. Task 1: Contracting and Animal Use Approvals. IACUC and ACURO approvals are complete. The subcontract with UC Davis (UCD) was executed in December 2014. Task 2: Perform In Vitro Study for Goal 1. Rat and mouse samples exposures completed. Monkey samples need to be exposed in next quarter. Task 3: Perform In Vitro Study for Goal 2. Mouse and rat ex vivo exposures completed. Monkey samples need to be completed in the next quarter. Task 4: Sample Preparation and Analysis. Mouse and Rat Goal 2 samples completed. Monkey samples remain to be done for Goal 2. Rat samples completed for Goal 1. Mouse and Monkey samples for Goal 1 need to be completed. Task 5: Data Interpretation and Reporting. Poster will be presented at 2016 Society of Toxicology Meeting. Outline for paper on adduct formation complete and similar to poster for SOT meeting.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Quarterly Technical Progress Report June 2015

The project has two main goals: 1) Identify the types of adducts naphthalene (NA) forms with DNA and 2) determine whether adduct formation correlates with site selective tumor formation in defined subcompartments of the respiratory tract (respiratory and olfactory nasal epithelium and airways of mice, rats and rhesus monkeys). Five tasks are associated with the completion of the goals. Task 1: Contracting and Animal Use Approvals. IACUC and ACURO approvals are complete, The subcontract with UC Davis (UCD) was executed in December 2014. Task 2: Perform In Vitro Study for Goal 1. Rat samples exposed and in freezer while adduct standards are being made. Mouse samples need to be exposed in next quarter. Task 3: Perform In Vitro Study for Goal 2. Mouse ex vivo samples completed. Rat and monkey samples need to be completed in the next quarter. Task 4: Sample Preparation and Analysis. Mouse Goal 2 samples completed. Other samples remain to be done. Task 5: Data Interpretation and Reporting. Need rat data to write paper on adduct formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Complete Status Report Documenting Weld Development for Thin Wall Tubing of ODS Ferritic Alloys

Beginning in 2015, research in the FCRD program began the development of FSW for joining thin sections of 14YWT in the form of thin (0.5 mm) plate and ultimately thin wall tubing. In the previous fiscal year, a ~1 mm thick plate, or sheet, of 14YWT was produced by hot rolling with no edge cracking. The initial FSW experiment was performed on the 1 mm thick plate and involved a bead-on-plate weld in which the spinning pin tool is plunged into the plate surface, but does not penetrate the thickness of the plate, and then travels the length of the plate. The FSW run successfully produced a bead-on-plate stir zone on the 1 mm thick plate of 14YWT, but no characterization studies of the stir zone were performed by the end of FY15. Therefore, the results presented in this report cover the microstructural analysis of the bead-on-plate stir zone and the initial research task on obtaining tensile properties of the stir zone using the digital image correlation (DIC) approach during testing of miniature tensile specimens to assess the quality of the FSW parameters used in the initial experiment. The results of the microstructural characterization study using optical, scanning electron and scanning transmission electron microscopies showed the grain structure in the SZ to have isotropic and irregular shape but very similar size compared to the highly elongated grains oriented horizontally with the plane of the plate that were observed in the unaffected zone of 14YWT. Several cracks oriented horizontally were observed mostly on the retreating side of the SZ in both the SZ and TMAZ. These cracks may have formed due to insufficient pressure being exerted on the top surface of the plate by the shoulder and pin tool during the FSW run. High resolution STEM-EDS analysis showed the presence of the Y-Ti-O particles in the SZ, but that some particles exhibited coarsening. Overall, the FSW parameters used to produce the bead-on-plate SZ in the 0.1 cm thick plate of 14YWT were nearly optimized. The results of the digital image correlation (DIC) analysis of the two SS-Mini-2 tensile specimens fabricated from the 0.1 cm thick plate of 14YWT showed that the specimens exhibited high strength and good ductility. However, strain localization occurred in one of the specimens during the tensile test that was too close to the grips, which invalidated the data from the DIC analysis. This was surprising since the abrupt crack pop-in that occurred in the 0.1 cm thick plate of 14YWT during fabrication by wire EDM suggested that residual stresses were high. Residual stress measurements and the effects of post weld heat treatment on the FSW quality of joined 14YWT plates will be investigated in the next FW work package.

36 MATERIALS SCIENCE↗
NASA NTRS1971

Radioactive nondestructive test method

Various radioisotope techniques were used as diagnostic tools for determining the performance of spacecraft propulsion feed system elements. Applications were studied in four tasks. The first two required experimental testing involving the propellant liquid oxygen difluoride (OF2): the neutron activation analysis of dissolved or suspended metals, and the use of radioactive tracers to evaluate the probability of constrictions in passive components (orifices and filters) becoming clogged by matter dissolved or suspended in the OF2. The other tasks were an appraisal of the applicability of radioisotope techniques to problems arising from the exposure of components to liquid/gas combinations, and an assessment of the applicability of the techniques to other propellants.

Obrien, J. R.↗
NASA NTRS1994

Practical guidelines for workload assessment

The practical problems that might be encountered in carrying out workload evaluations in work settings have been outlined. Different approaches have been distinguished that may determine the type of research design used and provide assistance in the difficult choice between workload assessment techniques. One approach to workload assessment is to examine the short-term consequences of combining various tasks. Theoretical models of attention allocation will underpin specific studies of interference and the consequences of task demand and task conflict for performance. A further approach with a different temporal orientation may lead us to a better understanding of the relationships between work demands and strain through the analysis of individual differences in cognitive control processes. The application of these processes may depend on individual differences in long term styles and short term strategies, but may be used to prevent decrements in work performance under difficult conditions. However, control may attract costs as well as benefits in terms of changes in effective state and physiological activity. Thus, strain associated with work demands may only be measurable in the form of tradeoffs between performance and other domains of individual activity. The methodological implications are to identify patterns of adjustment to workload variations using repeated measures and longitudinal sampling of performance as well as subjective and physiological measures. Possible enhancements to workplace design must take into account these human factors considerations of workload in order to avoid potential decrements in individual performance and associated organizational problems.

Tattersall, Andrew J.↗
NASA NTRS2003

Robot Acquisition of Active Maps Through Teleoperation and Vector Space Analysis

The work performed under this contract was in the area of intelligent robotics. The problem being studied was the acquisition of intelligent behaviors by a robot. The method was to acquire action maps that describe tasks as sequences of reflexive behaviors. Action maps (a.k.a. topological maps) are graphs whose nodes represent sensorimotor states and whose edges represent the motor actions that cause the robot to proceed from one state to the next. The maps were acquired by the robot after being teleoperated or otherwise guided by a person through a task several times. During a guided task, the robot records all its sensorimotor signals. The signals from several task trials are partitioned into episodes of static behavior. The corresponding episodes from each trial are averaged to produce a task description as a sequence of characteristic episodes. The sensorimotor states that indicate episode boundaries become the nodes, and the static behaviors, the edges. It was demonstrated that if compound maps are constructed from a set of tasks then the robot can perform new tasks in which it was never explicitly trained.

Peters, Richard Alan, II↗