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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Constructing Space-Time Views from Fixed Size Statistical Data: Getting the Best of both Worlds

Many performance monitoring tools are currently available to the super-computing community. The performance data gathered and analyzed by these tools fall under two categories: statistics and event traces. Statistical data is much more compact but lacks the probative power event traces offer. Event traces, on the other hand, can easily fill up the entire file system during execution such that the instrumented execution may have to be terminated half way through. In this paper, we propose an innovative methodology for performance data gathering and representation that offers a middle ground. The user can trade-off tracing overhead, trace data size vs. data quality incrementally. In other words, the user will be able to limit the amount of trace collected and, at the same time, carry out some of the analysis event traces offer using space-time views for the entire execution. Two basic ideas arc employed: the use of averages to replace recording data for each instance and formulae to represent sequences associated with communication and control flow. With the help of a few simple examples, we illustrate the use of these techniques in performance tuning and compare the quality of the traces we collected vs. event traces. We found that the trace files thus obtained are, in deed, small, bounded and predictable before program execution and that the quality of the space time views generated from these statistical data are excellent. Furthermore, experimental results showed that the formulae proposed were able to capture 100% of all the sequences associated with 11 of the 15 applications tested. The performance of the formulae can be incrementally improved by allocating more memory at run-time to learn longer sequences.

Schmidt, Melisa↗
DOE OSTI2025

Elucidating the geometric and electronic structure of a fully sulfided analog of an Anderson polyoxomolybdate cluster

The catalytic activity of transition metal sulfide (TMS) clusters in small molecule activation, redox transformations, and charge transfer has inspired the design of novel TMS-based materials for energy-related catalysis and chemical applications. Polyoxometalates (POMs), known for their structural diversity, can in principle be transformed into TMS clusters; however, fully sulfided analogs are rarely isolated, likely due to the strong tendency of uncapped TMS clusters to agglomerate. Here, we report the geometric and electronic structure of a capping ligand-free fully sulfided analog of heptamolybdate Anderson POM [Mo VI 7 O 24 ] 6− , synthesized through the sulfidation of a nanoconfined POM secured within a porous Zr-metal organic framework (NU-1000). A combined computational and experimental analysis indicates that the sulfided counterpart of the Anderson POM is geometrically and electronically more sophisticated than the parent POM. Comparison of experimental pair distribution function (PDF) data with computational simulations confirms that, unlike the oxygen-only [Mo VI 7 O 24 ] 6− cluster, the [Mo IV 7 (μ 3 -S) 6 (μ 2 -SH) 6 (S 2 ) 6 ] 2− polythiometalate (PTM) exhibits diverse sulfur anions (S 2− , HS − , S 2 2− ). DFT calculations indicate that H 2 S acts as a reducing agent, and together with terminal disulfide (S 2 2− ) ligands in the PTM structure, facilitates the complete reduction of all seven Mo VI centers in the parent POM to Mo IV . These findings are supported by X-ray photoelectron spectroscopy (XPS), which confirms exclusive Mo IV , and elemental analysis, which shows quantitative sulfur incorporation. Difference envelope density (DED) mapping further reveals that the PTM clusters are spatially confined within the MOF pores, preventing agglomeration and preserving molecular integrity.

Rabbani, S. M. Gulam [The Ohio State University, C↗
NASA NTRS1973

Further results on cooling mechanisms for soft X-ray flares

Analysis of data from the soft X-ray proportional counter spectrometer on OSO-4 has been continued along the lines of earlier work. It was noticed that the time profiles of X-ray counts from the OSO-4 instrument's 1 to 3 Angstrom detectors for two events showed a very rapid initial decay after maximum, followed by a much more slowly falling section. At least in the case of the larger of the two events, the change of slope seems quite definitely to be discontinuous. Temperatures and emission measures for both flares have been derived, by fitting an emission function to eight-channel count histograms which form the output of the 1 to 3 Angstrom detectors, analyzed into eight energy intervals by pulse-height analysis. The computer program is described. It employs temperature and continuum emission measures in the Culhane-Acton formula and the flux in the 6.7 KeV iron-line feature as free parameters, adjusting them by small amounts in successive iterations until the original historgram is approximately reproduced. A chi-squared is used to examine the agreement between histograms and terminates the iteration accordingly. Account is taken of the proportional counters' energy resolution in the fitting process.

Craig, I. J. D.↗
NASA NTRS1977

Atmospheric absorption of high frequency noise and application to fractional-octave bands

Pure tone sound absorption coefficients were measured at 1/12 octave intervals from 4 to 100 KHz at 5.5K temperature intervals between 255.4 and 310.9 K and at 10 percent relative humidity increments between 0 percent and saturation in a large cylindrical tube (i.d., 25.4 cm; length, 4.8 m). Special solid-dielectric capacitance transducers, one to generate bursts of sound waves and one to terminate the sound path and detect the tone bursts, were constructed to fit inside the tube. The absorption was measured by varying the transmitter receiver separation from 1 to 4 m and observing the decay of multiple reflections or change in amplitude of the first received burst. The resulting absorption was compared with that from a proposed procedure for computing sound absorption in still air. Absorption of bands of noise was numerically computed by using the pure tone results. The results depended on spectrum shape, on filter type, and nonlinearly on propagation distance. For some of the cases considered, comparison with the extrapolation of ARP-866A showed a difference as large as a factor of 2. However, for many cases, the absorption for a finite band was nearly equal to the pure tone absorption at the center frequency of the band. A recommended prediction procedure is described for 1/3 octave band absorption coefficients.

Shields, F. D.↗
NASA NTRS1977

The development of a model for predicting passenger acceptance of short-haul air transportation systems

Meaningful criteria and methodology for assessing, particularly in the area of ride quality, the potential acceptability to the traveling public of present and future transportation systems were investigated. Ride quality was found to be one of the important variables affecting the decision of users of air transportation, and to be influenced by several environmental factors, especially motion, noise, pressure, temperature, and seating. Models were developed to quantify the relationship of subjective comfort to all of these parameters and then were exercised for a variety of situations. Passenger satisfaction was found to be strongly related to ride quality and was so modeled. A computer program was developed to assess the comfort and satisfaction levels of passengers on aircraft subjected to arbitrary flight profiles over arbitrary terrain. A model was deduced of the manner in which passengers integrate isolated segments of a flight to obtain an overall trip comfort rating. A method was established for assessing the influence of other links (e.g., access, terminal conditions) in the overall passenger trip.

Kuhlthau, A. R.↗
NASA NTRS1978

Control of wind turbine generators connected to power systems

A unique simulation model based on a Mode-O wind turbine is developed for simulating both speed and power control. An analytical representation for a wind turbine that employs blade pitch angle feedback control is presented, and a mathematical model is formulated. For Mode-O serving as a practical case study, results of a computer simulation of the model as applied to the problems of synchronization and dynamic stability are provided. It is shown that the speed and output of a wind turbine can be satisfactorily controlled within reasonable limits by employing the existing blade pitch control system under specified conditions. For power control, an additional excitation control is required so that the terminal voltage, output power factor, and armature current can be held within narrow limits. As a result, the variation of torque angle is limited even if speed control is not implemented simultaneously with power control. Design features of the ERDA/NASA 100-kW Mode-O wind turbine are included.

Hwang, H. H.↗
NASA NTRS1979

NASA/Princeton digital avionics flight test facility

This paper describes a general-aviation digital avionics flight-test facility being jointly developed by the Flight Dynamics Laboratory of Princeton University and NASA/Langley Research Center. This facility consists of the Princeton avionics research aircraft (ARA) and NASA/Langley's digital avionics research (DARE) system. The ARA is a fully instrumented five-degree-of-freedom fly-by-wire aircraft. The DARE system contains a state-of-the-art flight computer system and receiving equipment that permits use of the NASA/Wallops Flight Center's position-tracking ground-based display-generation and ground-to-air digital-data-link equipment. The DARE/ARA system will be used for flight evaluation of advanced control, guidance, and display concepts developed as part of NASA/Langley Research Center's general aviation terminal area operations program.

Downing, D. R.↗
NASA NTRS1988

A traveling-salesman-based approach to aircraft scheduling in the terminal area

An efficient algorithm is presented, based on the well-known algorithm for the traveling salesman problem, for scheduling aircraft arrivals into major terminal areas. The algorithm permits, but strictly limits, reassigning an aircraft from its initial position in the landing order. This limitation is needed so that no aircraft or aircraft category is unduly penalized. Results indicate, for the mix of arrivals investigated, a potential increase in capacity in the 3 to 5 percent range. Furthermore, it is shown that the computation time for the algorithm grows only linearly with problem size.

Luenberger, Robert A.↗
DOE OSTI2020

Power system model parameter conditioning tool

A power system model parameter conditioning tool including a server control processor in communication with phasor measurement unit monitored data records of multiple disturbance events, a model calibration unit providing event screening, power system model simulation, and simultaneous tuning of model parameters. The model calibration performing a simulation using default model parameters, the processor comparing the simulation results to the monitored data. If the prediction is within threshold, then terminating conditioning; else performing parameter identifiability analysis to determine differing effects of various model parameters on power system model accuracy, selecting a parameter set causing a degradation in power system model prediction, and updating the default model parameters corresponding to members of the parameter set with values selected to reduce the degradation. A method and a non-transitory computer readable medium are also disclosed.

Baone, Chaitanya Ashok↗
NASA NTRS1989

US computer research networks: Current and future

During the last decade, NASA LeRC's Communication Program has conducted a series of telecommunications forecasting studies to project trends and requirements and to identify critical telecommunications technologies that must be developed to meet future requirements. The Government Networks Division of Contel Federal Systems has assisted NASA in these studies, and the current study builds upon these earlier efforts. The current major thrust of the NASA Communications Program is aimed at developing the high risk, advanced, communications satellite and terminal technologies required to significantly increase the capacity of future communications systems. Also, major new technological, economic, and social-political events and trends are now shaping the communications industry of the future. Therefore, a re-examination of future telecommunications needs and requirements is necessary to enable NASA to make management decisions in its Communications Program and to ensure the proper technologies and systems are addressed. This study, through a series of Task Orders, is helping NASA define the likely communication service needs and requirements of the future and thereby ensuring that the most appropriate technology developments are pursued.

Kratochvil, D.↗
DOE OSTI2022

The Effect of Surface Terminations on the Initial Stages of TiO 2 Deposition on Functionalized Silicon

As atomic layer deposition (ALD) emerges as a method to fabricate architectures with atomic precision, emphasis is placed on understanding surface reactions and nucleation mechanisms. ALD of titanium dioxide with TiCl 4 and water has been used to investigate deposition processes in general, but the effect of surface termination on the initial TiO 2 nucleation lacks needed mechanistic insights. Here, this work examines the adsorption of TiCl 4 on Cl–, H–, and HO– terminated Si(100) and Si(111) surfaces to elucidate the general role of different surface structures and defect types in manipulating surface reactivity of growth and non-growth substrates. The surface sites and their role in the initial stages of deposition are examined by X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM). Density functional theory (DFT) computations of the local functionalized silicon surfaces suggest oxygen-containing defects are primary drivers of selectivity loss on these surfaces.

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

Characterization of the atomic-level structure of γ-alumina and (111) Pt/γ-alumina interfaces

The atomic-level structure of platinum/γ-alumina interfaces is characterized in a model system of dense γ-alumina embedded with faceted Pt NPs produced by implantation of platinum ions into sapphire followed by thermal annealing in air at 800 °C. Aberration-corrected scanning transmission electron microscopy (STEM) was used to collect atomic-resolution images, which are compared to STEM image simulations of two experimentally-based bulk models of γ-alumina by Smrčok et al. and Zhou and Snyder. A density functional theory (DFT) based model of (111) interfaces with different chemical terminations (O, Al 1 , Al 2 ) of the γ-alumina developed by Oware Sarfo et al. is also compared to experimental STEM data from Pt/γ-alumina interfaces. Further, the Smrčok γ-alumina model provides a better fit than the Zhou structure to the bulk of the γ-alumina. The oxygen-terminated Oware Sarfo model best fits the experimental data and is a very good model close to the interface. However, the fit of the interface model to the experimental data is poorer beyond the third atomic layer in the γ-alumina. This is attributed to compromises required in the design of the model to limit the cell size and computational time for DFT calculations. Understanding the accuracy and limits of the structural models of γ-alumina and Pt/γ-alumina interfaces is important to further the understanding of the structure/property relationships in this system.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Human alpha A-crystallin missing N-terminal domain poorly complexes with filensin and phakinin

Highlights: • In vitro complexes between αA, its deletion mutants with filensin and phakinin was determined. • Complexes were determined following ultracentrifugation and by electron microscopic methods. • N-terminal domain of αA-crystallin is needed to form complex with filensin and phakinin in vitro. The aim of this study was to determine relative importance of N-terminal domain and C-terminal extension of αA-crystallin during their in vitro complex formation with phakinin and filensin (the two lens-specific intermediate filament [IF] proteins). Cloned phakinin, filensin and vimentin were purified under a denaturing conditions by consecutive DEAE-cellulose-, hydroxyapatite- and Sephadex G-75-column chromatographic methods. WTαA-crystallin, αA-NT (N-terminal domain [residue number 1–63])-deleted and αA-CT (C-terminal terminal extension [residue number 140–173]-deleted), were cloned in pET 100 TOPO vector, expressed in BL-21 (DE3) cells using 1% IPTG, and purified using a Ni{sup 2+}-affinity column. The following two in vitro methods were used to determine complex formation of WT-αA, αA-NT, or αA-CT with phakinin, filensin or both phakinin plus filensin together: an ultracentrifugation sedimentation (centrifugation at 80,000 × g for 30 min at 20 °C) followed by SDS-PAGE analysis, and an electron microscopic analysis. In the first method, the individual control proteins (WT-αA, αA-NT and αA-CT crystallin species) remained in the supernatant fractions whereas phakinin, filensin, and vimentin were recovered in the pellet fractions. On complex formation by individual WT-αA-, αA-NT or αA-CT-species with filensin, phakinin or both phakinin and filensin, WT-αA and αA-CT were recovered in the pellet fraction with phakinin, filensin or both filensin and phakinin, whereas αA-NT remained mostly in the supernatant, suggesting its poor complex formation property. EM-studies showed filamentous structure formation between WT-αA and αA-CT with phakinin or filensin, or with both filensin and phakinin together but relatively poor filamentous structures with αA-NT. Together, the results suggest that the N-terminal domain of αA-crystallin is required during in vitro complex formation with filensin and phakinin.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1979

Man-machine interfaces in LACIE/ERIPS

One of the most important aspects of the interactive portion of the LACIE/ERIPS software system is the way in which the analysis and decision-making capabilities of a human being are integrated with the speed and accuracy of a computer to produce a powerful analysis system. The three major man-machine interfaces in the system are (1) the use of menus for communications between the software and the interactive user; (2) the checkpoint/restart facility to recreate in one job the internal environment achieved in an earlier one; and (3) the error recovery capability which would normally cause job termination. This interactive system, which executes on an IBM 360/75 mainframe, was adapted for use in noninteractive (batch) mode. A case study is presented to show how the interfaces work in practice by defining some fields based on an image screen display, noting the field definitions, and obtaining a film product of the classification map.

Duprey, B. B.↗
NASA NTRS2005

Autonomous Flight Safety System Road Test

On February 3, 2005, Kennedy Space Center (KSC) conducted the first Autonomous Flight Safety System (AFSS) test on a moving vehicle -- a van driven around the KSC industrial area. A subset of the Phase III design was used consisting of a single computer, GPS receiver, and UPS antenna. The description and results of this road test are described in this report.AFSS is a joint KSC and Wallops Flight Facility project that is in its third phase of development. AFSS is an independent subsystem intended for use with Expendable Launch Vehicles that uses tracking data from redundant onboard sensors to autonomously make flight termination decisions using software-based rules implemented on redundant flight processors. The goals of this project are to increase capabilities by allowing launches from locations that do not have or cannot afford extensive ground-based range safety assets, to decrease range costs, and to decrease reaction time for special situations.

Simpson, James C.↗
DOE OSTI2023

A Fine-grained Asynchronous Bulk Synchronous parallelism model for PGAS applications

The Partitioned Global Address Space (PGAS) model is well suited for executing irregular applications on cluster-based systems, due to its efficient support for short, one-sided messages. Separately, the actor model has been gaining popularity as a productive asynchronous message-passing approach for distributed objects in enterprise and cloud computing platforms, typically implemented in languages such as Erlang, Scala or Rust. To the best of our knowledge, there has been no past work on using the actor model to deliver both productivity and scalability to irregular PGAS applications with large number of small messages. In this paper, we introduce a new programming system for PGAS applications, in which point-to-point remote operations can be expressed as fine-grained asynchronous actor messages. In our approach, the programmer does not need to worry about programming complexities related to message aggregation and termination detection. Our approach can be viewed as extending the classical Bulk Synchronous Parallelism model with fine-grained asynchronous communications within a phase or superstep. Here, we believe that our approach offers a desirable point in the productivity-performance space for PGAS applications, with more scalable performance and higher productivity relative to past approaches. Specifically, for seven irregular mini-applications from the Bale Kernels and three graph kernels executed using 2048 cores in the NERSC Cori system, our approach shows geometric mean performance improvements of ≥ 20X relative to standard PGAS versions (UPC and OpenSHMEM) while maintaining comparable productivity to those versions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Dielectric screening and vacancy formation for large neutral and charged Si n H m ( n > 1500 ) nanocrystals using real-space pseudopotentials

A commonly used procedure for computing the properties of defects in crystalline materials is to consider a large supercell that includes the defect of interest. This is a straightforward technique as standard energy band codes can be used for such computations. For neutral defects, the only impediment of such an approach is to avoid defect-defect interactions between adjoining cells. However, this procedure can be complex if the defect of interest is charged as the system at large contains Coulombic divergences. Moreover, some have recently argued that the conventional definition of formation energies for charged defects cannot be reconciled with statistical mechanics. Here, we focus on an alternative approach. We consider large nanocrystals wherein a charged defect can be placed. Since the system is confined, a charged defect within the nanocrystal does not result in a Coulombic divergence. The chief impediment is computational, i.e., while no defect-defect or Coulombic divergences are present, the nanocrystal must be sufficiently large to allow the system to properly replicate a bulklike configuration. With the development of new algorithms and hardware advances, computations for systems of sufficient size to address this issue are feasible. In particular, we solve the Kohn-Sham equation in real space using pseudopotential-density-functional theory for large silicon nanocrystals, which contain thousands of atoms. Further, we focus on (i) the screening of a point charge and (ii) the formation of a charged vacancy in hydrogen-terminated silicon nanocrystals. This approach allows us to examine the role of quantum confinement in addition to exploring the bulk limit. Comparisons to other methods confirm the viability of this approach.

36 MATERIALS SCIENCE↗
NASA NTRS1982

The influence of thermospheric winds on exospheric hydrogen on Venus

Monte Carlo models of the distribution of atomic hydrogen in the exosphere of Venus were computed which simulate the effects of thermospheric winds and the production of a 'hot' hydrogen component by charge exchange of H(+) and H and Q in the exosphere, as well as classic exospheric processes. A thermosphere wind system that is approximated by a retrograde rotating component with equatorial speed of 100 m/sec superimposed on a diurnal solar tide with cross-terminator day-to-night winds of 200 m/sec is shown to be compatible with the thermospheric hydrogen distribution deduced from Pioneer Venus orbiter measurements.

Hodges, R. R., Jr.↗