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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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NASA NTRS1985

STAR (Simple Tool for Automated Reasoning): Tutorial guide and reference manual

STAR is an interactive, interpreted programming language for the development and operation of Artificial Intelligence application systems. The language is intended for use primarily in the development of software application systems which rely on a combination of symbolic processing, central to the vast majority of AI algorithms, with routines and data structures defined in compiled languages such as C, FORTRAN and PASCAL. References to routines and data structures defined in compiled languages are intermixed with symbolic structures in STAR, resulting in a hybrid operating environment in which symbolic and non-symbolic processing and organization of data may interact to a high degree within the execution of particular application systems. The STAR language was developed in the course of a project involving AI techniques in the interpretation of imaging spectrometer data and is derived in part from a previous language called CLIP. The interpreter for STAR is implemented as a program defined in the language C and has been made available for distribution in source code form through NASA's Computer Software Management and Information Center (COSMIC). Contained within this report are the STAR Tutorial Guide, which introduces the language in a step-by-step manner, and the STAR Reference Manual, which provides a detailed summary of the features of STAR.

Borchardt, G. C.↗

DOE OSTI2021

An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem

The recently developed ab-initio multiple cloning (AIMC) approach based on the multicongurational Ehrenfest (MCE) method provides a powerful and accurate way of describing the excited-state dynamics of molecular systems. The AIMC method is a controlled approximation to non-adiabatic dynamics with a particular strength in the proper description of decoherence effects due to branching of vibrational wavepackets at a level crossing. In this work, we report a new implementation of the AIMC algorithm in the open source NWChem computational chemistry program. The framework combines linear-response time-dependent density functional theory with Ehrenfest mean-eld theory to determine the equations of motion for classical trajectories. The multi-dimensional wave function is decomposed into a superposition of Gaussian coherent states guided by Ehrenfest trajectories (i.e., MCE approach), which can clone with fully quantum mechanical amplitudes and phases. By using an efficient time-derivative based non-adiabatic coupling approach within the AIMC method, all observable are calculated on-the-y in the non-adiabatic molecular dynamics process. As a representative example, we apply our implementation to study the ultrafast photoinduced electronic and vibrational energy transfer in a pyridine molecule. The effects of the cloning procedure on electronic and vibrational coherence, relaxation and unidirectional energy transfer are discussed. This new AIMC implementation provides a high-level non-adiabatic molecular dynamics framework for simulating photoexcited dynamics in complex molecular systems and experimentally relevant ultrafast spectroscopic probes, such as nonlinear coherent optical and X-ray signals.

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DOE OSTI2023

Machine learning-based surrogate models and transfer learning for derivative free optimization of HT-PEM fuel cells

Widespread adoption of high-temperature polymer electrolyte membrane electrochemical systems, such as fuel cells (HT-PEMFCs), requires models and computational tools for accurate optimization and guiding new materials for enhancing performance and durability. In this contribution, knowledge-based modelling and data-driven modelling are combined using Few-Shot Learning and implementing an Automated Machine Learning framework for the generation of Machine Learning-based surrogate models. Applicability of the resulting model for derivative-free optimization is demonstrated. Additionally, a way of considering extrapolation in the optimization task is presented. Results show that although extrapolation is needed to achieve better solutions during optimization, it can be monitored and managed. As a result, tuning the electrode ionomer binder's properties, such as ionic conductivity, in the fuel cell represents a promising pathway for improving HT-PEMFC performance.

08 HYDROGEN↗

DOE OSTI2024

Securing Digital Energy Infrastructure: Procurement, Contracting, and Supply Chain Risk Management Guidance

Recognizing the scale of this industry challenge, the United States (U.S.) Department of Energy (DOE) Grid Deployment Office (GDO) and Cybersecurity Energy Security & Emergency Response office have launched a multi-year BESS supply chain security initiative to identify consequence-driven approaches to addressing BESS supply chain security and provide resources to support prioritization of supply chain security efforts associated with the procurement of BESS equipment and services. This guide is one element of the supporting resources to be provided and sets forth a framework and guidance for procurement bidding, selection, risk analysis, and agreements stakeholders can implement to mitigate cybersecurity risks across the entirety of battery system component ecosystem, including the interconnected software and hardware required for control and monitoring BESSs.

25 ENERGY STORAGE↗

DOE OSTI2026

Sierra/SD - Users Manual - 5.28

Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high-fidelity, validated models used in modal, vibration, static and shock analysis. This document provides a user's guide to the input for Sierra/SD. Details of input specifications for the different solution types, output options, element types and parameters are included.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2026

Sierra/SD - Users Manual - 5.30

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2026

Sierra/SD - Users Manual - 5.32

Beale, Dagny Marie [Sandia National Laboratories (↗

NASA NTRS1973

NASIS data base management system: IBM 360 TSS implementation. Volume 4: Program design specifications

The design specifications for the programs and modules within the NASA Aerospace Safety Information System (NASIS) are presented. The purpose of the design specifications is to standardize the preparation of the specifications and to guide the program design. Each major functional module within the system is a separate entity for documentation purposes. The design specifications contain a description of, and specifications for, all detail processing which occurs in the module. Sub-models, reference tables, and data sets which are common to several modules are documented separately.

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NASA NTRS1985

RATFOR user's guide version 2.0

This document is a user's guide for RATFOR at Ames Research Center. The main part of the document is a general description of RATFOR, and the appendix is devoted to a machine specific implementation for the Cray X-MP. The general stylistic features of RATFOR are discussed, including the block structure, keywords, source code, format, and the notion of tokens. There is a section on the basic control structures (IF-ELSE, ELSE IF, WHILE, FOR, DO, REPEAT-UNTIL, BREAK, NEXT), and there is a section on the statements that extend FORTRAN's capabilities (DEFINE, MACRO, INCLUDE, STRING). THE appendix discusses everything needed to compile and run a basic job, the preprocessor options, the supported character sets, the generated listings, fatal errors, and program limitations and the differences from standard FORTRAN.

Helmle, L. C.↗

NASA NTRS1993

Visualization and imaging methods for flames in microgravity

The visualization and imaging of flames has long been acknowledged as the starting point for learning about and understanding combustion phenomena. It provides an essential overall picture of the time and length scales of processes and guides the application of other diagnostics. It is perhaps even more important in microgravity combustion studies, where it is often the only non-intrusive diagnostic measurement easily implemented. Imaging also aids in the interpretation of single-point measurements, such as temperature, provided by thermocouples, and velocity, by hot-wire anemometers. This paper outlines the efforts of the Microgravity Combustion Diagnostics staff at NASA Lewis Research Center in the area of visualization and imaging of flames, concentrating on methods applicable for reduced-gravity experimentation. Several techniques are under development: intensified array camera imaging, and two-dimensional temperature and species concentrations measurements. A brief summary of results in these areas is presented and future plans mentioned.

Weiland, Karen J.↗

NASA NTRS1989

STS investigators' guide

The capability of the Space Transportation System (STS), the Space Shuttle, to support crew tended and free flyer research in low Earth orbit has opened new possibilities for science in space. For the first time, research equipment can be put into orbit routinely, operated in either a shirtsleeve environment or exposed to space, and then returned to the investigator. NASA, operator of the Shuttle, has implemented a variety of programs to ensure that anyone with a worthy research idea can take advantage of this opportunity. Investigators ranging from high school students to renowned space scientists have already used the Shuttle as a platform for making Earth, atmospheric, and astronomical observations; for performing space plasma physics measurements; and for exploring the effects of microgravity on living organisms and physical processes. For investigators considering a flight experiment for the first time, this guide explains what the Shuttle has to offer, how to arrange to fly an experiment, and what to expect once preparations for the flight are under way.

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NASA NTRS1985

Constitutive modeling and computational implementation for finite strain plasticity

This paper describes a simple alternate approach to the difficult problem of modeling material behavior. Starting from a general representation for a rate-tpe constitutive equation, it is shown by example how sets of test data may be used to derive restrictions on the scalar functions appearing in the representation. It is not possible to determine these functions from experimental data, but the aforementioned restrictions serve as a guide in their eventual definition. The implications are examined for hypo-elastic, isotropically hardening plastic, and kinematically hardening plastic materials. A simple model for the evolution of the 'back-stress,' in a kinematic-hardening plasticity theory, that is entirely analogous to a hypoelastic stress-strain relation is postulated and examined in detail in modeling finitely plastic tension-torsion test. The implementation of rate-type material models in finite element algorithms is also discussed.

Reed, K. W.↗

NASA NTRS1994

Space facilities: Meeting future needs for research, development, and operations

The National Facilities Study (NFS) represents an interagency effort to develop a comprehensive and integrated long-term plan for world-class aeronautical and space facilities that meet current and projected needs for commercial and government aerospace research and development and space operations. At the request of NASA and the DOD, the National Research Council's Committee on Space Facilities has reviewed the space related findings of the NFS. The inventory of more than 2800 facilities will be an important resource, especially if it continues to be updated and maintained as the NFS report recommends. The data in the inventory provide the basis for a much better understanding of the resources available in the national facilities infrastructure, as well as extensive information on which to base rational decisions about current and future facilities needs. The working groups have used the inventory data and other information to make a set of recommendations that include estimates of cast savings and steps for implementation. While it is natural that the NFS focused on cost reduction and consolidations, such a study is most useful to future planning if it gives equal weight to guiding the direction of future facilities needed to satisfy legitimate national aspirations. Even in the context of cost reduction through facilities closures and consolidations, the study is timid about recognizing and proposing program changes and realignments of roles and missions to capture what could be significant savings and increased effectiveness. The recommendations of the Committee on Space Facilities are driven by the clear need to be more realistic and precise both in recognizing current incentives and disincentives in the aerospace industry and in forecasting future conditions for U.S. space activities.

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NASA NTRS1996

An Overview of Controls and Flying Qualities Technology on the F/A-18 High Alpha Research Vehicle

The NASA F/A-18 High Alpha Research Vehicle (HARV) has been the flight test bed of a focused technology effort to significantly increase maneuvering capability at high angles of attack. Development and flight test of control law design methodologies, handling qualities metrics, performance guidelines, and flight evaluation maneuvers are described. The HARV has been modified to include two research control effectors, thrust vectoring, and actuated forebody strakes in order to provide increased control power at high angles of attack. A research flight control system has been used to provide a flexible, easily modified capability for high-angle-of-attack research controls. Different control law design techniques have been implemented and flight-tested, including eigenstructure assignment, variable gain output feedback, pseudo controls, and model-following. Extensive piloted simulation has been used to develop nonlinear performance guide-lines and handling qualities criteria for high angles of attack. This paper reviews the development and evaluation of technologies useful for high-angle-of-attack control. Design, development, and flight test of the research flight control system, control laws, flying qualities specifications, and flight test maneuvers are described. Flight test results are used to illustrate some of the lessons learned during flight test and handling qualities evaluations.

Pahle, Joseph W.↗

NASA NTRS1976

Application of automatic vehicle location in law enforcement: An introductory planning guide

A set of planning guidelines for the application of automatic vehicle location (AVL) to law enforcement is presented. Some essential characteristics and applications of AVL are outlined; systems in the operational or planning phases are discussed. Requirements analysis, system concept design, implementation planning, and performance and cost modeling are described and demonstrated with numerous examples. A detailed description of a typical law enforcement AVL system, and a list of vendor sources are given in appendixes.

Hansen, G. R.↗

NASA NTRS2016

Tool for the Integrated Dynamic Numerical Propulsion System Simulation (NPSS)/Turbine Engine Closed-Loop Transient Analysis (TTECTrA) User's Guide

The Tool for Turbine Engine Closed-Loop Transient Analysis (TTECTrA ver2) is a control design tool thatenables preliminary estimation of transient performance for models without requiring a full nonlinear controller to bedesigned. The program is compatible with subsonic engine models implemented in the MATLAB/Simulink (TheMathworks, Inc.) environment and Numerical Propulsion System Simulation (NPSS) framework. At a specified flightcondition, TTECTrA will design a closed-loop controller meeting user-defined requirements in a semi or fully automatedfashion. Multiple specifications may be provided, in which case TTECTrA will design one controller for each, producing acollection of controllers in a single run. Each resulting controller contains a setpoint map, a schedule of setpointcontroller gains, and limiters; all contributing to transient characteristics. The goal of the program is to providesteady-state engine designers with more immediate feedback on the transient engine performance earlier in the design cycle.

Transient↗

DOE OSTI2025

Web-Based Tools for Data-Informed Remedy Optimization: Software Theory and User Guide

This report documents the development and application of two web-based decision-support tools for pump-and-treat (P&T) groundwater remediation systems: PTOLEMY (Pump-and-Treat Optimized Location Evaluation to Maximize Yields) and OPTIMA (Optimization for Pump-and-Treat Implementation, Management, & Assessment). These tools enhance remedy design and management by leveraging advanced computational methods – specifically deep learning and multi-objective optimization – within a user-friendly platform. By integrating data-driven models with established hydrogeological knowledge, PTOLEMY and OPTIMA enable more efficient evaluation of well placement and operational strategies, helping site managers balance multiple remediation objectives under complex conditions. Both tools are implemented as modules within the SOCRATES (Suite Of Comprehensive Rapid Analysis Tools for Environmental Sites) web platform, which provides data access, visualization, and analytics to support remedy optimization across sites in the U.S. Department of Energy Office of Environmental Management complex. PTOLEMY is a rapid screening module designed to identify promising locations for new extraction wells. It employs a multi-channel three-dimensional convolutional neural network (MC3D-CNN) trained on high-fidelity simulation data to predict the relative performance (in terms of contaminant mass recovery) of potential well sites. Through an interactive web interface, PTOLEMY visualizes the probability of high performance across a site, highlighting areas where an extraction well is likely to yield above-threshold contaminant removal over a multi-year period. PTOLEMY’s map-based displays and exportable results support transparent communication of screening analyses. By focusing attention on the most favorable candidate locations, the tool augments traditional engineering judgment and physics-based modeling, providing a data informed basis for subsequent detailed evaluations. OPTIMA is a multi objective optimization module designed to find wellfield layouts and operating schedules that meet various cleanup goals. It quickly evaluates thousands of candidate setups – combinations of well locations, timing, and rates – and returns a small set of best trade-off options for comparison. At its core, OPTIMA uses a U-Net-based surrogate model – a deep-learning emulator of a groundwater flow and transport simulator – to dramatically accelerate scenario evaluations. Coupling this fast surrogate with the NSGA-II (Non-dominated Sorting Genetic Algorithm II) evolutionary algorithm, OPTIMA explores a wide decision space of well locations and schedules to identify Pareto-optimal solutions that trade off key objectives (e.g., minimizing cleanup time, maximizing contaminant mass removal, and minimizing plume extent). The tool outputs a family of optimal configurations and visualizes their trade-offs (Pareto frontiers of cleanup metrics and maps of optimized well placements). Site managers can use these results to understand the range of viable strategies and to select candidate designs for more detailed verification. OPTIMA is currently under active development and not yet fully released; this guide provides early documentation to support planning and gather user feedback.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Evaluation of IrO 2 catalysts doped with Ti and Nb at industrially relevant electrolyzer conditions: A comprehensive study

A series of commercial Oxygen Evolution Reaction (OER) IrO 2 -based materials doped with acid-stable titanium and niobium species were comprehensively characterized by Brunauer-Emmett-Teller (BET), X-ray diffraction analysis (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) with energy dispersive spectroscopy (EDS), and X-ray Scattering. Electrocatalysts were integrated into Membrane Electrode Assembly (MEA) using a fabrication method developed under the US DOE H2NEW consortium. An electrolysis performance in a commercial setup as well as a laboratory screening system was performed at conditions relevant to industrial application. According to the comprehensive characterizations, the studied materials are closer to doped iridium oxides rather than core–shell structures. In an electrolysis cell, the IrO 2 /TiO x catalyst slightly outperforms the IrO 2 /NbO x based on the activity. It was demonstrated that the operation of electrolysis cells at elevated temperatures and the implementation of thinner Nafion-type membranes allows for substantially increased performance, which is consistent with the literature report. Finally, this work provides valuable baselines including characterization and performance for guiding future research in this direction.

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