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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Computational Methods for HSCT-Inlet Controls/CFD Interdisciplinary Research

A program aimed at facilitating the use of computational fluid dynamics (CFD) simulations by the controls discipline is presented. The objective is to reduce the development time and cost for propulsion system controls by using CFD simulations to obtain high-fidelity system models for control design and as numerical test beds for control system testing and validation. An interdisciplinary team has been formed to develop analytical and computational tools in three discipline areas: controls, CFD, and computational technology. The controls effort has focused on specifying requirements for an interface between the controls specialist and CFD simulations and a new method for extracting linear, reduced-order control models from CFD simulations. Existing CFD codes are being modified to permit time accurate execution and provide realistic boundary conditions for controls studies. Parallel processing and distributed computing techniques, along with existing system integration software, are being used to reduce CFD execution times and to support the development of an integrated analysis/design system. This paper describes: the initial application for the technology being developed, the high speed civil transport (HSCT) inlet control problem; activities being pursued in each discipline area; and a prototype analysis/design system in place for interactive operation and visualization of a time-accurate HSCT-inlet simulation.

Cole, Gary L.↗
NASA NTRS2006

Software for Simulating Air Traffic

Future Air Traffic Management Concepts Evaluation Tool (FACET) is a system of software for performing computational simulations for evaluating advanced concepts of advanced air-traffic management. FACET includes a program that generates a graphical user interface plus programs and databases that implement computational models of weather, airspace, airports, navigation aids, aircraft performance, and aircraft trajectories. Examples of concepts studied by use of FACET include aircraft self-separation for free flight; prediction of air-traffic-controller workload; decision support for direct routing; integration of spacecraft-launch operations into the U.S. national airspace system; and traffic- flow-management using rerouting, metering, and ground delays. Aircraft can be modeled as flying along either flight-plan routes or great-circle routes as they climb, cruise, and descend according to their individual performance models. The FACET software is modular and is written in the Java and C programming languages. The architecture of FACET strikes a balance between flexibility and fidelity; as a consequence, FACET can be used to model systemwide airspace operations over the contiguous U.S., involving as many as 10,000 aircraft, all on a single desktop or laptop computer running any of a variety of operating systems. Two notable applications of FACET include: (1) reroute conformance monitoring algorithms that have been implemented in one of the Federal Aviation Administration s nationally deployed, real-time, operational systems; and (2) the licensing and integration of FACET with the commercially available Flight Explorer, which is an Internet- based, real-time flight-tracking system.

Sridhar, Banavar↗
DOE OSTI2020

Air-Stable Calcium Cyanamide-Supported Ruthenium Catalyst for Ammonia Synthesis and Decomposition

Efficient ammonia synthesis and decomposition processes under mild conditions are important to meet the expanding demand in major applications of ammonia as the energy carrier and to provide feedstock for chemical industry. In this study, we report that air-stable calcium cyanamide-supported ruthenium (Ru/CaCN 2 ) works as an efficient and stable catalyst for ammonia synthesis and decomposition. Ru/CaCN 2 exhibits greater catalytic performances for both reactions than Ru/Ca 2 N electride and Ru–Cs/MgO. The kinetic analysis for ammonia synthesis suggests that Ru/CaCN 2 exhibits low apparent activation energy and high resistance to hydrogen poisoning, which has characteristics similar to the kinetic parameters of Ru-supported electride catalyst. H 2 -temperature programmed reaction and temperature programmed desorption revealed that Ru promoted the formation of CN 2 vacancies on the CaCN 2 surface which in turn capture hydrogen as H – ions during the reaction. Density functional theory calculations provide insights into how the formation of CN 2 vacancies is promoted by Ru, which leads to the decrease in the work function of the CaCN 2 surface and the hydrogen capture at the Ru-support interface. These results suggest that the high catalytic performance of Ru/CaCN 2 can be attributed to the formation of a quasi-electride structure at the Ru–CaCN 2 interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

BRAINSTACK – A Platform for Artificial Intelligence & Machine Learning Collaborative Experiments on a Nano-Satellite

As space missions continue to become more ambitious, complex, and distant to Earth, the need for advanced on-board intelligent decision making to guide everything from mission operations to fault detection and recovery has become a major front of space research. While the prevalence of research on such Artificial Intelligence / Machine Learning (AI/ML) modules has exploded, the capacity to experimentally validate such modules in space in a rapid and inexpensive format has not. To this end, the Nano Orbital Workshop (NOW) group at NASA Ames Research Center has been at the forefront of performing initial flight evaluation tests of ‘commercially’ available AI/ML computational platforms via the TechEdSat (TES-n) flight series as part of what is programmatically referred to as the BRAINSTACK. BRAINSTACK will provide an orbital AI/ML evaluation laboratory where computational experiments are pre-loaded into memory prior to launch, and then executed as desired during the mission, with results reported back and program tweaks or new data sets uploaded as needed. Processors selected as part of the BRAINSTACK are of ideal size, packaging, and power consumption for easy integration into a cube satellite structure. These experiments have included the evaluation of small, high-performance GPUs and more recently, neuromorphic processors in LEO operations. Neuromorphic processors are of particular interest due to their superior computational power efficiency over GPUs. The first TES-n flight test of an Intel first-generation Loihi neuromorphic processor launched on January 13, 2022 and continues to operate in orbit despite almost no space environment modifications. The Intel Loihi Gen-1 is characterized by a 14nm 128-core Spiking Neural Network (SNN) able to support on-chip training. This experiment utilized a Loihi packaged in the ‘Kapoho Bay’ USB module, providing a relatively straight-forward interface to the bus avionics system. The Kapoho Bay was in turn managed by a host Intel Pentium single-board computer to handle scheduling of the AI/ML application payloads, and communications with the satellite vehicle manager. The recently released Intel Loihi Gen-2, able to support integer-valued spike payloads and produced using 7nm process, will form part of the basis of the evolving BRAINSTACK in the upcoming three TES-n/NOW flights. Additionally, it is planned to measure the radiation environment these processors experience to understand any degradation or computational artifacts caused by long term space radiation exposure on these novel architectures. This evolving flexible and collaborative environment involving various research teams across NASA and other organizations is intended to be a convenient orbital test platform from which many anticipated future space AI/ML applications may be initially tested.

Artificial Intelligence↗
NASA NTRSDate not supplied

BRAINSTACK – A Platform for Artificial Intelligence & Machine Learning Collaborative Experiments on a Nano-Satellite

As space missions continue to become more ambitious, complex, and distant to Earth, the need for advanced on-board intelligent decision making to guide everything from mission operations to fault detection and recovery has become a major front of space research. While the prevalence of research on such Artificial Intelligence / Machine Learning (AI/ML) modules has exploded, the capacity to experimentally validate such modules in space in a rapid and inexpensive format has not. To this end, the Nano Orbital Workshop (NOW) group at NASA Ames Research Center has been at the forefront of performing initial flight evaluation tests of ‘commercially’ available AI/ML computational platforms via the TechEdSat (TES-n) flight series as part of what is programmatically referred to as the BRAINSTACK. BRAINSTACK will provide an orbital AI/ML evaluation laboratory where computational experiments are pre-loaded into memory prior to launch, and then executed as desired during the mission, with results reported back and program tweaks or new data sets uploaded as needed. Processors selected as part of the BRAINSTACK are of ideal size, packaging, and power consumption for easy integration into a cube satellite structure. These experiments have included the evaluation of small, high-performance GPUs and more recently, neuromorphic processors in LEO operations. Neuromorphic processors are of particular interest due to their superior computational power efficiency over GPUs. The first TES-n flight test of an Intel first-generation Loihi neuromorphic processor launched on January 13, 2022 and continues to operate in orbit despite almost no space environment modifications. The Intel Loihi Gen-1 is characterized by a 14nm 128-core Spiking Neural Network (SNN) able to support on-chip training. This experiment utilized a Loihi packaged in the ‘Kapoho Bay’ USB module, providing a relatively straight-forward interface to the bus avionics system. The Kapoho Bay was in turn managed by a host Intel Pentium single-board computer to handle scheduling of the AI/ML application payloads, and communications with the satellite vehicle manager. The recently released Intel Loihi Gen-2, able to support integer-valued spike payloads and produced using 7nm process, will form part of the basis of the evolving BRAINSTACK in the upcoming three TES-n/NOW flights. Additionally, it is planned to measure the radiation environment these processors experience to understand any degradation or computational artifacts caused by long term space radiation exposure on these novel architectures. This evolving flexible and collaborative environment involving various research teams across NASA and other organizations is intended to be a convenient orbital test platform from which many anticipated future space AI/ML applications may be initially tested.

Artificial Intelligence↗
DOE OSTI2020

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

TURBOMOLE is a collaborative, multi-national software development project aiming to provide highly efficient and stable computational tools for quantum chemical simulations of molecules, clusters, periodic systems, and solutions. The TURBOMOLE software suite is optimized for widely available, inexpensive, and resource-efficient hardware such as multi-core workstations and small computer clusters. TURBOMOLE specializes in electronic structure methods with outstanding accuracy–cost ratio, such as density functional theory including local hybrids and the random phase approximation (RPA), GW-Bethe–Salpeter methods, second-order Møller–Plesset theory, and explicitly correlated coupled-cluster methods. TURBOMOLE is based on Gaussian basis sets and has been pivotal for the development of many fast and low-scaling algorithms in the past three decades, such as integral-direct methods, fast multipole methods, the resolution-of-the-identity approximation, imaginary frequency integration, Laplace transform, and pair natural orbital methods. This review focuses on recent additions to TURBOMOLE’s functionality, including excited-state methods, RPA and Green’s function methods, relativistic approaches, high-order molecular properties, solvation effects, and periodic systems. A variety of illustrative applications along with accuracy and timing data are discussed. Moreover, available interfaces to users as well as other software are summarized. TURBOMOLE’s current licensing, distribution, and support model are discussed, and an overview of TURBOMOLE’s development workflow is provided. Challenges such as communication and outreach, software infrastructure, and funding are highlighted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

On the Boundary Conditions at an Oscillating Contact Line: A Physical/Numerical Experimental Program

We will pursue an improved physical understanding and mathematical model for the boundary condition at an oscillating contact line at high Reynolds number. We expect that the body force is locally unimportant for earth-based systems, and that the local behavior may dominate the mechanics of partially-filled reservoirs in the microgravity environment. One important space-based application for this contact-line study is for Faraday-waves. Oscillations in the direction of gravity (or acceleration) can dominate the fluid motion during take-off and reentry with large steady-state accelerations and in orbit, where fluctuations on the order of 10(exp -4)g occur about a zero mean. Our experience with Faraday waves has shown them to be 'cleaner' than those produced by vertical or horizontal oscillation of walls. They are easier to model analytically or computationally, and they do not have strong vortex formation at the bottom of the plate. Hence many, if not most, of the experiments will be performed in this manner. The importance of contact lines in the microgravity environment is well established. We will compare high resolution measurements of the velocity field (lO micro-m resolution) using particle-tracking and particle-image velocimetry as the fluid/fluid interface is approached from the lower fluid. The spatial gradients in the deviation provide additional means to determine an improved boundary condition and a measure of the slip region. Dissipation, the size of the eddy near the contact line, and hysteresis will be measured and compare to linear and nonlinear models of viscous and irrotational but dissipative models.

Perlin, Marc↗
NASA NTRS2003

A Comprehension Based Analysis of Autoflight System Interfaces

This cooperative agreement supported Dr. Peter Polson's participation in two interrelated research programs. The first was the development of the Situation-Goal-Behavior (SGB) Model that is both a formal description of an avionics system's logic and behavior and a representation of a system that can be understood by avionics designers, pilots, and training developers. The second was the development of a usability inspection method based on an approximate model, RAFIV, of pilot interactions with the Flight Management System (FMS). The main purpose of this report is to integrate the two models and provide a context in order to better characterize the accomplishments of this research program. A major focus of both the previous and this Cooperative Agreement was the development of usability evaluation methods that can be effectively utilized during all phases of the design, development, and certification process of modern avionics systems. The current efforts to validate these methods have involved showing that they generate useful analyses of known operational and training problems with the current generation of avionics systems in modern commercial airliners. This report is organized into seven sections. Following the overview, the second section describes the Goal-Situation-Behavior model and its applications. The next section summarizes the foundations of the RAFIV model and describes the model in some detail. The contents of both these sections are derived from previous reports referenced in footnotes. The fourth section integrates these two models into a complete design evaluation and training development framework. The fifth section contains conclusions and possible future directions for research. References are in Section 6. Section 7 contains the titles and abstracts of the papers paper describing in more detail the results of this research program.

Palmer, Everett↗
NASA NTRS2008

Development and Application of an Integrated Approach toward NASA Airspace Systems Research

The National Aeronautics and Space Administration's (NASA) Airspace Systems Program is contributing air traffic management research in support of the 2025 Next Generation Air Transportation System (NextGen). Contributions support research and development needs provided by the interagency Joint Planning and Development Office (JPDO). These needs generally call for integrated technical solutions that improve system-level performance and work effectively across multiple domains and planning time horizons. In response, the Airspace Systems Program is pursuing an integrated research approach and has adapted systems engineering best practices for application in a research environment. Systems engineering methods aim to enable researchers to methodically compare different technical approaches, consider system-level performance, and develop compatible solutions. Systems engineering activities are performed iteratively as the research matures. Products of this approach include a demand and needs analysis, system-level descriptions focusing on NASA research contributions, system assessment and design studies, and common systemlevel metrics, scenarios, and assumptions. Results from the first systems engineering iteration include a preliminary demand and needs analysis; a functional modeling tool; and initial system-level metrics, scenario characteristics, and assumptions. Demand and needs analysis results suggest that several advanced concepts can mitigate demand/capacity imbalances for NextGen, but fall short of enabling three-times current-day capacity at the nation s busiest airports and airspace. Current activities are focusing on standardizing metrics, scenarios, and assumptions, conducting system-level performance assessments of integrated research solutions, and exploring key system design interfaces.

Barhydt, Richard↗
NASA NTRS2004

A Re-programmable Platform for Dynamic Burn-in Test of Xilinx Virtexll 3000 FPGA for Military and Aerospace Applications

Field Programmable Gate Arrays (FPGA) have played increasingly important roles in military and aerospace applications. Xilinx SRAM-based FPGAs have been extensively used in commercial applications. They have been used less frequently in space flight applications due to their susceptibility to single-event upsets. Reliability of these devices in space applications is a concern that has not been addressed. The objective of this project is to design a fully programmable hardware/software platform that allows (but is not limited to) comprehensive static/dynamic burn-in test of Virtex-II 3000 FPGAs, at speed test and SEU test. Conventional methods test very few discrete AC parameters (primarily switching) of a given integrated circuit. This approach will test any possible configuration of the FPGA and any associated performance parameters. It allows complete or partial re-programming of the FPGA and verification of the program by using read back followed by dynamic test. Designers have full control over which functional elements of the FPGA to stress. They can completely simulate all possible types of configurations/functions. Another benefit of this platform is that it allows collecting information on elevation of the junction temperature as a function of gate utilization, operating frequency and functionality. A software tool has been implemented to demonstrate the various features of the system. The software consists of three major parts: the parallel interface driver, main system procedure and a graphical user interface (GUI).

Field Programmable Gate Arrays (FPGA)↗
DOE OSTI2018

Microscopic Behaviors of Tri-n-Butyl Phosphate, n-Dodecane and Their Mixtures at Air/Liquid and Liquid/Liquid Interfaces: An AMBER Polarizable Force Field Study

In solvent extraction processes for recovering metal ions from used nuclear fuel, as well as other industrial applications, a better understanding of the metal complex phase transfer phenomenon would greatly aid ligand design and process optimization. We have approached this challenge by utilizing classical molecular dynamics simulations technique to gain visual appreciation of the vapor/liquid and liquid/liquid interface between tri-n-butyl phosphate (TBP) and n-dodecane with air and water. In this study, we successfully reparameterized polarizable force fields for TBP and n-dodecane that accurately reproduced several of their thermophysical properties such as: density, heat of vaporization, and dipole moment. Our models were able to predict the surface and interfacial tension of different systems when compared to experimental results also performed by us. Through this study, we gained numerous atomistic understanding of the behaviors of TBP and n-dodecane at the interface against air and water, useful in further computational studies of such systems. Lastly, our studies indicate that the initial configuration of a simulation may have a large effect on the final result.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Color Image Processing and Object Tracking System

This report describes a personal computer based system for automatic and semiautomatic tracking of objects on film or video tape, developed to meet the needs of the Microgravity Combustion and Fluids Science Research Programs at the NASA Lewis Research Center. The system consists of individual hardware components working under computer control to achieve a high degree of automation. The most important hardware components include 16-mm and 35-mm film transports, a high resolution digital camera mounted on a x-y-z micro-positioning stage, an S-VHS tapedeck, an Hi8 tapedeck, video laserdisk, and a framegrabber. All of the image input devices are remotely controlled by a computer. Software was developed to integrate the overall operation of the system including device frame incrementation, grabbing of image frames, image processing of the object's neighborhood, locating the position of the object being tracked, and storing the coordinates in a file. This process is performed repeatedly until the last frame is reached. Several different tracking methods are supported. To illustrate the process, two representative applications of the system are described. These applications represent typical uses of the system and include tracking the propagation of a flame front and tracking the movement of a liquid-gas interface with extremely poor visibility.

Klimek, Robert B.↗
DOE OSTI2025

COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics

The COLUMBUS program system provides the tools for performing high-level multireference (MR) computations, including the multireference configuration interaction (MRCI) method and its multireference averaged quadratic coupled cluster (MR-AQCC) extension, allowing computations on a wide range of fascinating atomic and molecular systems, including the treatment of open-shells and complicated excited state phenomena. The inclusion of spin−orbit coupling (SOC) directly within the MRCI step enables the description of systems containing heavy elements, such as lanthanides and actinides, whose properties are strongly influenced by SOC. Analytic energy gradients and nonadiabatic couplings at the correlated MRCI level provide the foundation for a variety of dynamics studies, giving insight into ultrafast photochemistry. New and ongoing method developments in COLUMBUS include the computation of spin densities, improved descriptions of ionic states, enhancements to the AQCC method, and the porting of COLUMBUS to graphical processing units (GPUs). New external interfaces enable an enhanced description of electronic resonances and molecules in strong laser fields. This work highlights these new developments while providing a detailed account of the diverse applications of COLUMBUS in recent years.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Lyndon B. Johnson Space Center (JSC) proposed dual-use technology investment program in intelligent robots

This paper presents an overview of the proposed Lyndon B. Johnson Space Center (JSC) precompetitive, dual-use technology investment project in robotics. New robotic technology in advanced robots, which can recognize and respond to their environments and to spoken human supervision so as to perform a variety of combined mobility and manipulation tasks in various sectors, is an obejective of this work. In the U.S. economy, such robots offer the benefits of improved global competitiveness in a critical industrial sector; improved productivity by the end users of these robots; a growing robotics industry that produces jobs and profits; lower cost health care delivery with quality improvements; and, as these 'intelligent' robots become acceptable throughout society, an increase in the standard of living for everyone. In space, such robots will provide improved safety, reliability, and productivity as Space Station evolves, and will enable human space exploration (by human/robot teams). The proposed effort consists of partnerships between manufacturers, universities, and JSC to develop working production prototypes of these robots by leveraging current development by both sides. Currently targeted applications are in the manufacturing, health care, services, and construction sectors of the U.S. economy and in the inspection, servicing, maintenance, and repair aspects of space exploration. But the focus is on the generic software architecture and standardized interfaces for custom modules tailored for the various applications allowing end users to customize a robot as PC users customize PC's. Production prototypes would be completed in 5 years under this proposal.

Erikson, Jon D.↗
NASA NTRS1994

Lyndon B. Johnson Space Center (JSC) proposed dual-use technology investment program in intelligent robotics

This paper presents an overview of the proposed Lyndon B. Johnson Space Center (JSC) precompetitive, dual-use technology investment project in robotics. New robotic technology in advanced robots, which can recognize and respond to their environments and to spoken human supervision so as to perform a variety of combined mobility and manipulation tasks in various sectors, is an objective of this work. In the U.S. economy, such robots offer the benefits of improved global competitiveness in a critical industrial sector; improved productivity by the end users of these robots; a growing robotics industry that produces jobs and profits; lower cost health care delivery with quality improvements; and, as these 'intelligent' robots become acceptable throughout society, an increase in the standard of living for everyone. In space, such robots will provide improved safety, reliability, and productivity as Space Station evolves, and will enable human space exploration (by human/robot teams). The proposed effort consists of partnerships between manufacturers, universities, and JSC to develop working production prototypes of these robots by leveraging current development by both sides. Currently targeted applications are in the manufacturing, health care, services, and construction sectors of the U.S. economy and in the inspection, servicing, maintenance, and repair aspects of space exploration. But the focus is on the generic software architecture and standardized interfaces for custom modules tailored for the various applications allowing end users to customize a robot as PC users customize PC's. Production prototypes would be completed in 5 years under this proposal.

Erickson, Jon D.↗
DOE OSTI2023

Interactive Quantum Chemistry Enabled by Machine Learning, Graphical Processing Units, and Cloud Computing

Modern quantum chemistry algorithms are increasingly able to accurately predict molecular properties that are useful for chemists in research and education. Despite this progress, performing such calculations is currently unattainable to the wider chemistry community, as they often require domain expertise, computer programming skills, and powerful computer hardware. In this review, we outline methods to eliminate these barriers using cutting-edge technologies. We discuss the ingredients needed to create accessible platforms that can compute quantum chemistry properties in real time, including graphical processing units–accelerated quantum chemistry in the cloud, artificial intelligence–driven natural molecule input methods, and extended reality visualization. We end by highlighting a series of exciting applications that assemble these components to create uniquely interactive platforms for computing and visualizing spectra, 3D structures, molecular orbitals, and many other chemical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

TXM-Sandbox : an open-source software for transmission X-ray microscopy data analysis

A transmission X-ray microscope (TXM) can investigate morphological and chemical information of a tens to hundred micrometre-thick specimen on a length scale of tens to hundreds of nanometres. It has broad applications in material sciences and battery research. TXM data processing is composed of multiple steps. A workflow software has been developed that integrates all the tools required for general TXM data processing and visualization. The software is written in Python and has a graphic user interface in Jupyter Notebook . Users have access to the intermediate analysis results within Jupyter Notebook and have options to insert extra data processing steps in addition to those that are integrated in the software. The software seamlessly integrates ImageJ as its primary image viewer, providing rich image visualization and processing routines. As a guide for users, several TXM specific data analysis issues and examples are also presented.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Opportunities for an Integrated Web-Based Workbench for Data Access and Analysis - 20244

Management of environmental issues can require integration of multiple types of data and information, conducting data analysis and interpretation, and providing data visualization for effective communications. These data elements are important for site management to support regulator interactions and provide defensibility for remedial decisions. Databases and information repositories are core elements of managing data; however, efficient data access and analysis also enable effective site management. The U.S. Department of Energy (DOE) Hanford Site is an example of a complex site with a voluminous quantity of environmental data and a need for efficient site management. Different tiers of data and information tools have been developed and deployed to address site needs. These tools are configured for ready access via the web site interfaces and meet the rigorous quality requirements for environmental site management. Evolving efforts are focused on an integrated platform to meet site environmental management needs. In this platform, users can access site information at multiple levels of detail based on their need and permissions, so that data and associated analyses are presented within the context of the site mission and the user's management or technical needs. This concept is not only applicable at individual sites like Hanford but also applicable at other sites within the DOE complex. An integrated web-based architecture that links data visualization, data analytics, and management tools can provide holistic access to large data sets, minimize complexity, and maximize interactivity and technical communication. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗