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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Toward predictive permeabilities: Experimental measurements and multiscale simulation of methanol transport in Nafion

A polymer membrane's permeability to solutes determines its suitability for various applications: a permeability value is essential for predicting performance in diverse contexts. Using aqueous methanol permeation through Nafion as an example, we describe a methodology for determining membrane permeability that accounts for boundary layer effects and the possibility of swelling. For the materials and apparatus used herein, analysis of a permeance measurement and computational fluid dynamics simulations show that the mass transfer boundary layer is on the order of ones to tens of microns. Additionally, the data are used to develop and validate a multiscale model describing solute permeation through a hydrated membrane as a series of physical mechanistic steps: reversible adsorption from solution at the membrane interface, diffusion driven by a concentration gradient within the membrane, and reversible desorption into solution at the opposite membrane interface. The validated model is used to predict methanol transport across a solar-driven CO 2 reduction device and to assess the impact of polymer changes on the measured value. The approach of combining experimental data, computational fluid dynamics, and the mechanistic multiscale model is expected to provide more accurate analysis of membrane permeation data in cases with polymer swelling or unusual device geometries, among others.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Computer Program Recognizes Patterns in Time-Series Data

A computer program recognizes selected patterns in time-series data like digitized samples of seismic or electrophysiological signals. The program implements an artificial neural network (ANN) and a set of N clocks for the purpose of determining whether N or more instances of a certain waveform, W, occur within a given time interval, T. The ANN must be trained to recognize W in the incoming stream of data. The first time the ANN recognizes W, it sets clock 1 to count down from T to zero; the second time it recognizes W, it sets clock 2 to count down from T to zero, and so forth through the Nth instance. On the N + 1st instance, the cycle is repeated, starting with clock 1. If any clock has not reached zero when it is reset, then N instances of W have been detected within time T, and the program so indicates. The program can readily be encoded in a field-programmable gate array or an application-specific integrated circuit that could be used, for example, to detect electroencephalographic or electrocardiographic waveforms indicative of epileptic seizures or heart attacks, respectively.

Hand, Charles↗
NASA NTRS1994

Sonic boom predictions using a solution-adaptive full-potential code

The TranAir full-potential code, which utilizes a solution-adaptive, unstructured Cartesian grid, was used to compute near-field pressure signatures of three generic geometries: (1) a cone-cylinder; (2) a low aspect ratio rectangular wing; and (3) a delta-wing/body. Pressure signatures computed by TranAir are extrapolated to near- and midfield distances using a quasilinear extrapolation technique. Results are compared with wind-tunnel data and, where possible, with extrapolated wind-tunnel data and Whitham-method results. In general, extrapolated TranAir data is in good agreement with experimental and Whitham-method pressure signatures, but peak pressures are slightly underpredicted. It is felt that data computed too close to the model caused some of the discrepancies. The flowfield grid structure was also found to be an important issue in obtaining accurate off-body data. Results were encouraging enough to proceed with the application of TranAir to conceptual configurations in support of the NASA high speed research program (HSRP).

Madson, Michael D.↗
DOE OSTI2025

A Comparison of Electronic Structure Methods for Predicting the Hydrogenation Energies of Candidate Molecules for Hydrogen Storage

The development of novel energy materials and fuels is required to expand current available energy sources. Aiming to reach this goal, there is growing interest in using molecular hydrogen as an energy carrier due to its abundance and high energy density. Liquid organic hydrogen carriers (LOHCs) are a promising route to the large-scale storage and transport of hydrogen for use in the energy economy. The search for thermodynamically viable LOHC molecules for real world use has led to a set of constraints on the dehydrogenation enthalpy and the minimum gravimetric hydrogen capacity. These constraints allow one to formulate the search for an ideal LOHC candidate molecule as an optimization problem well suited to the strengths of machine learning and artificial intelligence computational approaches. A critical barrier to a large-scale, high-throughput screening of LOHC candidate molecules is the lack of reliable training data. Computational electronic structure methods including density functional theory, coupled cluster approximations, and diffusion Monte Carlo can be used to provide training data where experimental data are either unreliable or do not exist. In this work, we use these methods to calculate the dehydrogenation energies and enthalpies of candidate LOHC molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

S'COOL Provides Research Opportunities and Current Data for Today's Technological Classroom

NASA's Students' Cloud Observations On-Line (S'COOL) project, a hands-on educational project, was an innovative idea conceived by the scientists in the Radiation Sciences Branch at NASA Langley Research Center, Hampton, Virginia, in 1996. It came about after a local teacher expressed the idea that she wanted her students to be involved in real-life science. S'COOL supports NASA's Clouds and the Earth's Radiant Energy System (CERES) instrument, which was launched on the Tropical Rainforest Measuring Mission (TRMM) in November, 1997, as part of NASA's Earth Science Enterprise. With the S'COOL project students observe clouds and related weather conditions, compute data and note vital information while obtaining ground truth observations for the CERES instrument. The observations can then be used to help validate the CERES measurements, particularly detection of clear sky from space. In addition to meeting math, science and geography standards, students are engaged in using the computer to obtain, report and analyze current data, thus bringing modern technology into the realm of classroom, a paradigm that demands our attention.

Green, Carolyn J.↗
DOE OSTI2020

The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design

The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques. JARVIS is motivated by the Materials Genome Initiative (MGI) principles of developing open-access databases and tools to reduce the cost and development time of materials discovery, optimization, and deployment. The major features of JARVIS are: JARVIS-DFT, JARVIS-FF, JARVIS-ML, and JARVIS-tools. To date, JARVIS consists of ≈40,000 materials and ≈1 million calculated properties in JARVIS-DFT, ≈500 materials and ≈110 force-fields in JARVIS-FF, and ≈25 ML models for material-property predictions in JARVIS-ML, all of which are continuously expanding. JARVIS-tools provides scripts and workflows for running and analyzing various simulations. We compare our computational data to experiments or high-fidelity computational methods wherever applicable to evaluate error/uncertainty in predictions. In addition to the existing workflows, the infrastructure can support a wide variety of other technologically important applications as part of the data-driven materials design paradigm. The JARVIS datasets and tools are publicly available at the website: https://jarvis.nist.gov .

36 MATERIALS SCIENCE↗
DOE OSTI2022

Bridging Python to Silicon: The SODA Toolchain

Systems performing scientific computing, data analysis, and machine learning tasks have a growing demand for application-specific accelerators that can provide high computational performance while meeting strict size and power requirements. However, the algorithms and applications that need to be accelerated are evolving at a rate that is incompatible with manual design processes based on hardware description languages. Agile hardware design tools based on compiler techniques can help by quickly producing an application-specific integrated circuit (ASIC) accelerator starting from a high-level algorithmic description. Here, we present the software-defined accelerator (SODA) synthesizer, a modular and open-source hardware compiler that provides automated end-to-end synthesis from high-level software frameworks to ASIC implementation, relying on multilevel representations to progressively lower and optimize the input code. Our approach does not require the application developer to write any register-transfer level code, and it is able to reach up to 364 giga floating point operations per second (GFLOPS)/W efficiency (32-bit precision) on typical convolutional neural network operators.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1971

Automatic transmission line monitor

Monitor improves complex network reliability in computer data links and command transmission lines. System evaluates circuit performance against preselected criteria, identifies and stores data indicating out-of-tolerance conditions, conducts closed loop testing, and provides for operation under command of digital computer that determines restoration priorities.

Parsons, W. E.↗
NASA NTRS1980

Executive and communications services to support the IPAD environment

The principal purposes of the prototype executive software are to provide a system independent interface to the underlying host system and to allow for extension to full IPAD executive services as described in the preliminary design. A basic set of functions is included in the prototype to meet the requirements of the other components of the prototype, principally IPID, the IPAD data management system. The functions were chosen so that they would be readily built on any of the proposed host systems with minimal redesign and execution overhead. The functions fall into five categories: access to host data, access to data files, access to communication services, data transformation, and instrumentation for performance measurement. Communication services provide message delivery between processes in a network of heterogeneous computers. Data transformation services and communication services ensure data type validity and data integrity of messages exchanged between processes.

Tanner, J. G.↗
NASA NTRS1993

NASA's spacecraft data system

The NASA Small Explorer Data System (SEDS), a space flight data system developed to support the Small Explorer (SMEX) project, is addressed. The system was flown on the Solar Anomalous Magnetospheric Particle Explorer (SAMPEX) SMEX mission, and with reconfiguration for different requirements will fly on the X-ray Timing Explorer (XTE) and the Tropical Rainfall Measuring Mission (TRMM). SEDS is also foreseen for the Hubble repair mission. Its name was changed to Spacecraft Data System (SDS) in view of expansions. Objectives, SDS hardware, and software are described. Each SDS box contains two computers, data storage memory, uplink (command) reception circuitry, downlink (telemetry) encoding circuitry, Instrument Telemetry Controller (ITC), and spacecraft timing circuitry. The SDS communicates with other subsystems over the MIL-STD-1773 data bus. The SDS software uses a real time Operating System (OS) and the C language. The OS layer, communications and scheduling layer, application task layer, and diagnostic software, are described. Decisions on the use of advanced technologies, such as ASIC's (Application Specific Integrated Circuits) and fiber optics, led to technical improvements, such as lower power and weight, without increasing the risk associated with the data system. The result was a successful SAMPEX development, integration and test, and mission using SEDS, and the upgrading of that system to SDS for TRMM and XTE.

Cudmore, Alan↗
DOE OSTI2023

Systems and methods for screening particle source manufacturing and development test data

A computing system obtains test data for a particle source. The test data was generated by the particle source when the particle source was caused to emit particles. The test data comprises a first set of measurements of a first type and a second set of measurements of a second type. The computing system applies a data agnostic predictive model to the test data. The data agnostic predictive model is generated without a parametric analysis of variables of the first type and variables of the second type. The data agnostic predictive model outputs, based upon the test data, a value that is indicative of whether or not the test data is abnormal. Based upon the value, the computing system outputs an indication that the particle source was operating sub-optimally when emitting the particles.

Multari, Rosalie A.↗
NASA NTRS1987

An intercomparison of nitrogen-containing species in Nimbus 7 LIMS and SAMS data

Odd-nitrogen chemistry and transport are analyzed using a two-dimensional model and Nimbus 7 data. The Nimbus 7 data include: measurements of O3, NO2, HNO3, H2O, and temperature by the LIMS instrument; N2O, CH4, and temperature measurements by the SAMS instrument; and O3 data from the SBUV instrument. The characteristics of the two-dimensional model used in the study, a modified Guthrie et al. (1984) model, are described. NO2 and HNO3 are calculated using the two-dimensional model, and the computed data are compared with the LIMS NO2 and HNO3 measurements. The model uncertainties are computed based on the photochemical equilibrium assumption, and the role of stratospheric dynamics in determining NO2 and HNO3 is discussed. It is observed that there is good correlation between the LIMS and model data in the upper stratosphere; however, the data do not correspond in the lower stratosphere. The effect of nitrogen sources, such as lightning, on the stratospheric odd nitrogen distribution is examined.

Jackman, Charles H.↗
DOE OSTI2025

Supporting Data: Inverse Trans Influence and Uranium-Arene σ-Bonding Drive Molecular Geometry: Ligand Modification from Hard to Soft Flips the Oxide from Axial to Equatorial

Supporting Computational Data from the manuscript titled "ITI and Uranium-Arene s-Bonding Drive Molecular Geometry: Ligand Modification from Hard to Soft Flips the Oxide from Axial to Equatorial" by Benedikt Kestel, Daniel Pividori, Sabyasachi Roy Chowdhury, Frank W. Heinemann, Bess Vlaisavljevich, and Karsten Meyer published in J. Am. Chem. Soc. (DOI: 10.1021/jacs.5c05029).

Chowdhury, Sabyasachi Roy [Department of Chemistry↗
NASA NTRS1987

Throughput analysis of the IEEE 802.4 token bus standard under heavy load

It has become clear in the last few years that there is a trend towards integrated digital services. Parallel to the development of public Integrated Services Digital Network (ISDN) is service integration in the local area (e.g., a campus, a building, an aircraft). The types of services to be integrated depend very much on the specific local environment. However, applications tend to generate data traffic belonging to one of two classes. According to IEEE 802.4 terminology, the first major class of traffic is termed synchronous, such as packetized voice and data generated from other applications with real-time constraints, and the second class is called asynchronous which includes most computer data traffic such as file transfer or facsimile. The IEEE 802.4 token bus protocol which was designed to support both synchronous and asynchronous traffic is examined. The protocol is basically a timer-controlled token bus access scheme. By a suitable choice of the design parameters, it can be shown that access delay is bounded for synchronous traffic. As well, the bandwidth allocated to asynchronous traffic can be controlled. A throughput analysis of the protocol under heavy load with constant channel occupation of synchronous traffic and constant token-passing times is presented.

Pang, Joseph↗
NASA NTRS2003

Image Processor Electronics (IPE): The High-Performance Computing System for NASA SWIFT Mission

Gamma Ray Bursts (GRBs) are believed to be the most powerful explosions that have occurred in the Universe since the Big Bang and are a mystery to the scientific community. Swift, a NASA mission that includes international participation, was designed and built in preparation for a 2003 launch to help to determine the origin of Gamma Ray Bursts. Locating the position in the sky where a burst originates requires intensive computing, because the duration of a GRB can range between a few milliseconds up to approximately a minute. The instrument data system must constantly accept multiple images representing large regions of the sky that are generated by sixteen gamma ray detectors operating in parallel. It then must process the received images very quickly in order to determine the existence of possible gamma ray bursts and their locations. The high-performance instrument data computing system that accomplishes this is called the Image Processor Electronics (IPE). The IPE was designed, built and tested by NASA Goddard Space Flight Center (GSFC) in order to meet these challenging requirements. The IPE is a small size, low power and high performing computing system for space applications. This paper addresses the system implementation and the system hardware architecture of the IPE. The paper concludes with the IPE system performance that was measured during end-to-end system testing.

Nguyen, Quang H.↗