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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Understanding and enhancing user acceptance of computer technology

Technology-driven efforts to implement computer technology often encounter problems due to lack of acceptance or begrudging acceptance of the personnel involved. It is argued that individuals' acceptance of automation, in terms of either computerization or computer aiding, is heavily influenced by their perceptions of the impact of the automation on their discretion in performing their jobs. It is suggested that desired levels of discretion reflect needs to feel in control and achieve self-satisfaction in task performance, as well as perceptions of inadequacies of computer technology. Discussion of these factors leads to a structured set of considerations for performing front-end analysis, deciding what to automate, and implementing the resulting changes.

Rouse, William B.↗
NASA NTRS2004

Digital Radar-Signal Processors Implemented in FPGAs

High-performance digital electronic circuits for onboard processing of return signals in an airborne precipitation- measuring radar system have been implemented in commercially available field-programmable gate arrays (FPGAs). Previously, it was standard practice to downlink the radar-return data to a ground station for postprocessing a costly practice that prevents the nearly-real-time use of the data for automated targeting. In principle, the onboard processing could be performed by a system of about 20 personal- computer-type microprocessors; relative to such a system, the present FPGA-based processor is much smaller and consumes much less power. Alternatively, the onboard processing could be performed by an application-specific integrated circuit (ASIC), but in comparison with an ASIC implementation, the present FPGA implementation offers the advantages of (1) greater flexibility for research applications like the present one and (2) lower cost in the small production volumes typical of research applications. The generation and processing of signals in the airborne precipitation measuring radar system in question involves the following especially notable steps: The system utilizes a total of four channels two carrier frequencies and two polarizations at each frequency. The system uses pulse compression: that is, the transmitted pulse is spread out in time and the received echo of the pulse is processed with a matched filter to despread it. The return signal is band-limited and digitally demodulated to a complex baseband signal that, for each pulse, comprises a large number of samples. Each complex pair of samples (denoted a range gate in radar terminology) is associated with a numerical index that corresponds to a specific time offset from the beginning of the radar pulse, so that each such pair represents the energy reflected from a specific range. This energy and the average echo power are computed. The phase of each range bin is compared to the previous echo by complex conjugate multiplication to obtain the mean Doppler shift (and hence the mean and variance of the velocity of precipitation) of the echo at that range.

Berkun, Andrew↗
DOE OSTI2022

SBbadger: biochemical reaction networks with definable degree distributions

Abstract Motivation An essential step in developing computational tools for the inference, optimization and simulation of biochemical reaction networks is gauging tool performance against earlier efforts using an appropriate set of benchmarks. General strategies for the assembly of benchmark models include collection from the literature, creation via subnetwork extraction and de novo generation. However, with respect to biochemical reaction networks, these approaches and their associated tools are either poorly suited to generate models that reflect the wide range of properties found in natural biochemical networks or to do so in numbers that enable rigorous statistical analysis. Results In this work, we present SBbadger, a python-based software tool for the generation of synthetic biochemical reaction or metabolic networks with user-defined degree distributions, multiple available kinetic formalisms and a host of other definable properties. SBbadger thus enables the creation of benchmark model sets that reflect properties of biological systems and generate the kinetics and model structures typically targeted by computational analysis and inference software. Here, we detail the computational and algorithmic workflow of SBbadger, demonstrate its performance under various settings, provide sample outputs and compare it to currently available biochemical reaction network generation software. Availability and implementation SBbadger is implemented in Python and is freely available at https://github.com/sys-bio/SBbadger and via PyPI at https://pypi.org/project/SBbadger/. Documentation can be found at https://SBbadger.readthedocs.io. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

An analytical solution of the solution-diffusion-electromigration equations reproduces trends in ion rejections during nanofiltration of mixed electrolytes

Here, this paper develops an analytical solution to the equations governing the solution-diffusion-electromigration transport of the ions from two salts that contain a common ion. The analytical expressions, which rely on constant ion permeances, readily enable simple spreadsheet computations of the permeate ion concentrations in nanofiltration (NF). Despite the model simplicity, calculations of ion rejections as a function of transmembrane volume fluxes, feed-solution compositions, and permeance values reproduce experimental trends, with ion permeances as the only adjustable parameters. For example, with solutions containing dissolved MA and M 2 B, when the membrane permeance to B 2– is much lower than the permeances to A – and M + , plots of A – rejection versus transmembrane volume flux show the negative minimum that is often characteristic of NF. Moreover, B 2– rejection increases with increasing MA in the feed solution, reflecting a decreasing electric field in the membrane. The analytical solution also enables spreadsheet computations of electric fields in membrane separation layers and effectively models experimental data for intrinsic rejections as a function of transmembrane volume flow. Interestingly, the model suggests that with sufficiently high permeances of A – (relative to M + ), at certain feed compositions the A – /B 2– selectivity may increase without bound as a function of volume flow. Otherwise, this selectivity does not vary greatly with feed composition and quickly reaches a limit as the volume flow increases. Despite the simplifying approximation of constant ion permeances, using only a few adjustable parameters this model readily reveals trends in NF ion rejections and may help to identify the desired ion permeances or solution compositions for specific separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

A Network Model for the Effective Thermal Conductivity of Rigid Fibrous Refractory Insulations

A procedure is described for computing the effective thermal conductivity of a rigid fibrous refractory insulation. The insulation is modeled as a 3-dimensional Cartesian network of thermal conductance. The values and volume distributions of the conductance are assigned to reflect the physical properties of the insulation, its constituent fibers, and any permeating gas. The effective thermal conductivity is computed by considering the simultaneous energy transport by solid conduction, gas conduction and radiation through a cubic volume of model insulation; thus the coupling between heat transfer modes is retained (within the simplifications inherent to the model), rather than suppressed by treating these heat transfer modes as independent. The model takes into account insulation composition, density and fiber anisotropy, as well as the geometric and material properties of the constituent fibers. A relatively good agreement, between calculated and experimentally derived thermal conductivity values, is obtained for a variety of rigid fibrous insulations.

Marschall, Jochen↗
DOE OSTI2026

The role of quantum computing in advancing scientific high-performance computing: A perspective from the ADAC institute

Quantum computing (QC) has gained significant attention over the past two decades due to its potential for speeding up classically demanding tasks. This transition from an academic focus to a thriving commercial sector is reflected in substantial global investments. While advancements in qubit counts and functionalities continue at a rapid pace, current quantum systems still lack the scalability for practical applications, facing challenges such as too high error rates and limited coherence times. Here, this perspective paper examines the relationship between QC and high-performance computing (HPC), highlighting their complementary roles in enhancing computational efficiency. It is widely acknowledged that even fully error-corrected QC will not be suited for all computational tasks. Rather, future compute infrastructures are anticipated to employ quantum acceleration within hybrid systems that integrate HPC and QC. While QC can enhance classical computing, traditional HPC remains essential for maximizing quantum acceleration. This integration is a priority for supercomputing centers and companies, sparking innovation to address the challenges of merging these technologies. The novelty of this work lies in its unique perspective, reflecting the collective insights of the Accelerated Data Analytics and Computing (ADAC) Institute, a global consortium of over 20 leading HPC centers. Recognizing the growing importance of QC, ADAC established a Quantum Computing Working Group in 2023 to foster collaboration and knowledge-sharing among its members. This paper synthesizes insights from the group’s collaborative efforts and incorporates findings from a member survey that captures shared experiences, ongoing projects, and strategic directions. By outlining the current landscape and challenges of QC integration into HPC ecosystems, this work offers HPC specialists practical and forward-looking guidance on the opportunities and implications of QC in computationally intensive endeavors.

Accelerated Data Analytics and↗
DOE OSTI2024

CP violation searches and distributed computing development with the Belle II Experiment at the University of Mississippi and Brookhaven National Laboratory (Final Report)

This report reflects the work performed at the University of Mississippi under the support of DOE EPSCoR grant DE‐SC0021274 during the period of September 2020 through August 2024, including a one-year, no-cost extension. A summary of the research outcomes is given, with reference to the project goals as stated in the proposal. This successful project supported the mission of the DOE High Energy Physics program by leveraging the complimentary expertise of researchers at the University of Mississippi and Brookhaven National Lab to search for CP violation in charmed baryon decays using data from the Belle II experiment and to provide vital support for Belle II distributed computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2012

Sensitivity of Multiangle, Multispectral Polarimetric Remote Sensing Over Open Oceans to Water-Leaving Radiance: Analyses of RSP Data Acquired During the MILAGRO Campaign

For remote sensing of aerosol over the ocean, there is a contribution from light scattered underwater. The brightness and spectrum of this light depends on the biomass content of the ocean, such that variations in the color of the ocean can be observed even from space. Rayleigh scattering by pure sea water, and Rayleigh-Gans type scattering by plankton, causes this light to be polarized with a distinctive angular distribution. To study the contribution of this underwater light polarization to multiangle, multispectral observations of polarized reflectance over ocean, we previously developed a hydrosol model for use in underwater light scattering computations that produces realistic variations of the ocean color and the underwater light polarization signature of pure sea water. In this work we review this hydrosol model, include a correction for the spectrum of the particulate scattering coefficient and backscattering efficiency, and discuss its sensitivity to variations in colored dissolved organic matter (CDOM) and in the scattering function of marine particulates. We then apply this model to measurements of total and polarized reflectance that were acquired over open ocean during the MILAGRO field campaign by the airborne Research Scanning Polarimeter (RSP). Analyses show that our hydrosol model faithfully reproduces the water-leaving contributions to RSP reflectance, and that the sensitivity of these contributions to Chlorophyll a concentration [Chl] in the ocean varies with the azimuth, height, and wavelength of observations. We also show that the impact of variations in CDOM on the polarized reflectance observed by the RSP at low altitude is comparable to or much less than the standard error of this reflectance whereas their effects in total reflectance may be substantial (i.e. up to >30%). Finally, we extend our study of polarized reflectance variations with [Chl] and CDOM to include results for simulated spaceborne observations.

Chowdhary, Jacek↗
DOE OSTI2016

Conversion acoustic resonances in orthorhombic crystals

A classification of acoustic-beam reflection resonances in orthorhombic crystals under conditions where a proximity to conversion is implemented in the vicinity of total internal reflection is proposed. In this case, the energy from the incident pump beam falls almost entirely into a narrow intense reflected beam propagating at a small angle with respect to the surface. The crystal boundary is parallel to one of the elastic symmetry planes, and the excited beam propagates near one of axes 2 in this plane. Depending on the relations between the elastic moduli and the chosen propagation geometry, 18 types of resonances may occur, but no more than three in each crystal. The developed theory combines an approximate analytical description and accurate computer analysis. The relations between the elastic moduli providing minimum energy loss over the parasite reflected wave are determined. Some crystals with resonant excitation very close to conversion are revealed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1978

Point source moving above a finite impedance reflecting plane - Experiment and theory

A widely used experimental version of the acoustic monopole consists of an acoustic driver of restricted opening forced by a discrete frequency oscillator. To investigate the effects of forward motion on this source, it was mounted above an automobile and driven over an asphalt surface at constant speed past a microphone array. The shapes of the received signal were compared to results computed from an analysis of a fluctuating-mass-type point source moving above a finite impedance reflecting plane. Good agreement was found between experiment and theory when a complex normal impedance representative of a fairly hard acoustic surface was used in the analysis.

Norum, T. D.↗
NASA NTRS2017

Progress of High Efficiency Centrifugal Compressor Simulations Using TURBO

Three-dimensional, time-accurate, and phase-lagged computational fluid dynamics (CFD) simulations of the High Efficiency Centrifugal Compressor (HECC) stage were generated using the TURBO solver. Changes to the TURBO Parallel Version 4 source code were made in order to properly model the no-slip boundary condition along the spinning hub region for centrifugal impellers. A startup procedure was developed to generate a converged flow field in TURBO. This procedure initialized computations on a coarsened mesh generated by the Turbomachinery Gridding System (TGS) and relied on a method of systematically increasing wheel speed and backpressure. Baseline design-speed TURBO results generally overpredicted total pressure ratio, adiabatic efficiency, and the choking flow rate of the HECC stage as compared with the design-intent CFD results of Code Leo. Including diffuser fillet geometry in the TURBO computation resulted in a 0.6 percent reduction in the choking flow rate and led to a better match with design-intent CFD. Diffuser fillets reduced annulus cross-sectional area but also reduced corner separation, and thus blockage, in the diffuser passage. It was found that the TURBO computations are somewhat insensitive to inlet total pressure changing from the TURBO default inlet pressure of 14.7 pounds per square inch (101.35 kilopascals) down to 11.0 pounds per square inch (75.83 kilopascals), the inlet pressure of the component test. Off-design tip clearance was modeled in TURBO in two computations: one in which the blade tip geometry was trimmed by 12 mils (0.3048 millimeters), and another in which the hub flow path was moved to reflect a 12-mil axial shift in the impeller hub, creating a step at the hub. The one-dimensional results of these two computations indicate non-negligible differences between the two modeling approaches.

turbomachinery↗
NASA NTRS1994

Parameters of Nocilla gas/surface interaction model from measured accomodation coefficients

Free-molecule aerodynamic coefficients are computed for a flat plate surface element at various angles of attack using the normal and tangential accomodation coefficients and the Nocilla model of the gas/surface interaction. The Nocilla model assumes that the molecules reflect from a surface in the form of a drifting Maxwellian with a mean velocity at a specific temperature. The computations use curve fits of the angular variation of the existing measurements of the accomodation coefficients and of the parameters in the Nocilla model. The two methods indicate that a surface element has considerably more lift than predicted by an assumption of diffuse scattering. In other respects the predictions by the two methods do not agree.

Collins, Frank G.↗
DOE OSTI2016

A MULTIPLE SCATTERING POLARIZED RADIATIVE TRANSFER MODEL: APPLICATION TO HD 189733b

We present a multiple scattering vector radiative transfer model that produces disk integrated, full phase polarized light curves for reflected light from an exoplanetary atmosphere. We validate our model against results from published analytical and computational models and discuss a small number of cases relevant to the existing and possible near-future observations of the exoplanet HD 189733b. HD 189733b is arguably the most well observed exoplanet to date and the only exoplanet to be observed in polarized light, yet it is debated if the planet’s atmosphere is cloudy or clear. We model reflected light from clear atmospheres with Rayleigh scattering, and cloudy or hazy atmospheres with Mie and fractal aggregate particles. We show that clear and cloudy atmospheres have large differences in polarized light as compared to simple flux measurements, though existing observations are insufficient to make this distinction. Futhermore, we show that atmospheres that are spatially inhomogeneous, such as being partially covered by clouds or hazes, exhibit larger contrasts in polarized light when compared to clear atmospheres. This effect can potentially be used to identify patchy clouds in exoplanets. Given a set of full phase polarimetric measurements, this model can constrain the geometric albedo, properties of scattering particles in the atmosphere, and the longitude of the ascending node of the orbit. The model is used to interpret new polarimetric observations of HD 189733b in a companion paper.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

Analysis of Spacecraft Materials Discrimination Using Color Indices for Remote Sensing for Space Situational Awareness

The increasing number of space missions have resulted in an augmented density of artificial objects positioned in orbital domains near Earth. Knowing the material composition of the resident space object can be of value in object identification and risk assessment using remote sensing techniques. To perform this task, it is increasingly imperative to optically characterize spacecraft materials to identify unique material-specific spectroscopic markers. In this work, a variety of materials frequently utilized by the aerospace industry in spacecraft design and construction were analyzed using reflectance spectroscopy. The collected data provide a spectral characterization baseline for modern-day and historical spacecraft materials. The color index was computed for standard astronomical and suggested theoretical filter passbands and compared to each other in their capability to discriminate materials belonging to different classes. The color index was calculated from reflectance spectra of common spacecraft materials in their pristine, as-received conditions that fell under different family groupings. Different color-index combinations were studied using color-color diagrams. Visual and quantitative analysis of the color-color diagrams were used to evaluate the possibility of discriminating materials from one another by means of optical measurements. Results of the analysis show that polyimide and photovoltaic materials are most easy to discriminate from all other materials via color indices using different filter passbands evaluated in this study.

spectral reflectance↗
NASA NTRS2001

Radiometric Calibration of an Airborne CO2 Pulsed Doppler Lidar Using a Natural Earth Surface

Radiometric calibration of an airborne CO2 pulsed Doppler lidar has been accomplished using surface retro-reflection signals from the White Sands National Monument, New Mexico, USA. Two circular passes were made at altitudes of 6.26 and 9.26 km. The computed calibration factors for both altitudes are in excellent agreement with the value derived from standard ground-based measurements involving a fixed sandpaper target of known reflectance. This finding corroborates a previous study that successfully calibrated an airborne continuous-wave Doppler lidar using a variety of natural Earth surfaces. The present results indicate that relatively uniform Earth-surface targets can be used for in-flight calibration of pulsed airborne, and, in principal, spaceborne lidars.

Cutten, Dean R.↗
NASA NTRS1991

Radiometric rectification - Toward a common radiometric response among multidate, multisensor images

A method is developed for relating scene digital counts among several images of the same scene by identifying radiometric control sets with mean reflectances that are basically constant. The average digital-count values of the control sets are utilized to compute linear transforms that relate digital count values between images. Two Landsat TM images are studied by means of the technique using simulations of a wide range of atmospheric conditions. In the visible and near-IR bands the algorithm effectively adjusts the surface reflectance for the effects of relative atmospheric differences to within 1 percent. The proposed method is found to be an effective relative correction procedure that can be used when atmospheric optical-depth data and calibration coefficients are not available.

Hall, F. G.↗
DOE OSTI2021

Computational Investigation of the Role of Active Site Heterogeneity for aSupported Organovanadium(III) Hydrogenation Catalyst

A crucial consideration for supported heterogeneous catalysts is the nonuniformity of the active sites, particularly for supported organometallic catalysts. Standard spectroscopic techniques, such as X-ray absorption spectroscopy, reflect the nature of the most populated sites, which are often intrinsically structurally distinct from the most active catalytic sites. Additionally, with computational models, often, only a few representative structures are used to depict catalytic active sites on a surface, even though there are numerous observable factors of surface heterogeneity that contribute to the kinetically favorable active species. A previously reported study on the mechanism of a surface organovanadium-(III) catalyst [(SiO 2 )V III (Mes)(THF)] for styrene hydrogenation yielded two possible mechanisms: heterolytic cleavage and redox cycling. These two mechanistic scenarios are challenging to differentiate experimentally since the kinetic readouts of the catalyst are identical. To showcase the importance of modeling surface heterogeneity and its effect on catalytic activity, density functional theory (DFT) computational models of a series of potential active sites of [(SiO 2 )V III (Mes)(THF)] for the reaction pathways are applied in combination with kinetic Monte Carlo (kMC) simulations. Computed results were then compared to the previously reported experimental kinetic study: (1) DFT free-energy reaction pathways indicated the likely active site and pathway for styrene hydrogenation, a heterolytic cleavage pathway requiring a bare tripodal vanadium site. (2) From the kMC simulations, a mixture of different bond lengths from the support oxygen to the metal center was required to qualitatively describe the experimentally observed kinetic aspects of a supported organovanadium(III) catalyst for olefin hydrogenation. This work underscores the importance of modeling surface heterogeneity in computational catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗