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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

Naval Remote Ocean Sensing System (NROSS) study

A set of hardware similar to the SEASAT A configuration requirement, suitable for installation and operation aboard a NOAA-D bus and a budgetary cost for one (1) protoflight model was provided. The scatterometer sensor is conceived as one of several sensors for the Navy Remote Ocean Sensing System (NROSS) Satellite Program. Deliverables requested were to include a final report with appropriate sketches and block diagrams showing the scatterometer design/configuration and a budgetary cost for all labor and materials to design, fabricate, test, and integrate this hardware into a NOAA-D satellite bus. This configuration consists of two (2) hardware assembles - a transmitter/receiver (T/R) assembly and an integrated electronics assembly (IEA). The T/R assembly as conceived is best located at the extreme opposite end of the satellite away from the solar array assembly and oriented in position to enable one surface of the assembly to have unobstructed exposure to space. The IEA is planned to be located at the bottom (Earth viewing) side of the satellite and requires a radiating plate.

Source record↗
NASA NTRS1988

The solar simulation test of the ITALSAT thermal structural model

The ITALSAT structural/thermal model (STM) was submitted to a solar simulation test in order to verify the spacecraft thermal design and the thermal mathematical model which will be used to predict the on orbit temperatures. The STM was representative of the flight model in terms of configuration, structures, appendages and thermal hardware; dissipating dummy units were used to simulate the electronic units. The test consisted of the main phases: on station (beginning of life), on station (end of life), and transfer orbit. Preliminary results indicate that the test performances were satisfactory. The spacecraft measured temperatures were up to 15 degrees higher than the predicted ones. This imposes a careful correlation analysis in order to have reliable flight temperature predictions.

Giommi, M.↗
NASA NTRS1989

Classical trajectory studies of gas phase reaction dynamics and kinetics using ab initio potential energy surfaces

Strategies for constructing global potential energy surfaces from a limited number of accurate ab initio electronic energy calculations are discussed. Generally, these data are concentrated in small regions of configuration space (e.g., in the vicinity of saddle points and energy minima) and difficulties arise in generating a potential function that is globally well-behaved. Efficient computer codes for carrying out classical trajectory calculations on vector and parallel processors are also described. Illustrations are given from recent work on the following chemical systems: Ca + HF yields CaF + H, H + H + H2 yields H2 + H2, N + O2 yields NO + O and O + N2 yields NO + N. The dynamics and kinetics of metathesis, dissociation, recombination, energy transfer and complex formation processes will be discussed.

Jaffe, Richard L.↗
NASA NTRS1994

The Low-Lying Electronic States of Mg2(+)

The low-lying doublet and quartet states of Mg+ have been studied using a multireference configuration interaction approach. The effect of inner-shell correlation has been included using the core-polarization potential method. The computed spectroscopic constants, lifetimes, and oscillator strengths should help resolve the difference between the recent experiments and previous theoretical calculations.

Ricca, Alessandra↗
NASA NTRS2006

Real-Time Rocket/Vehicle System Integrated Health Management Laboratory For Development and Testing of Health Monitoring/Management Systems

Pratt & Whitney Rocketdyne has developed a real-time engine/vehicle system integrated health management laboratory, or testbed, for developing and testing health management system concepts. This laboratory simulates components of an integrated system such as the rocket engine, rocket engine controller, vehicle or test controller, as well as a health management computer on separate general purpose computers. These general purpose computers can be replaced with more realistic components such as actual electronic controllers and valve actuators for hardware-in-the-loop simulation. Various engine configurations and propellant combinations are available. Fault or failure insertion capability on-the-fly using direct memory insertion from a user console is used to test system detection and response. The laboratory is currently capable of simulating the flow-path of a single rocket engine but work is underway to include structural and multiengine simulation capability as well as a dedicated data acquisition system. The ultimate goal is to simulate as accurately and realistically as possible the environment in which the health management system will operate including noise, dynamic response of the engine/engine controller, sensor time delays, and asynchronous operation of the various components. The rationale for the laboratory is also discussed including limited alternatives for demonstrating the effectiveness and safety of a flight system.

Aguilar, R.↗
DOE OSTI2021

Strategies for Working Remotely: Responding to Pandemic-Driven Change.

In response to the COVID-19 pandemic, the Exascale Computing Project’s (ECP) Interoperable Design of Extreme-scale Application Software (IDEAS) productivity team launched the panel series Strategies for Working Remotely to facilitate informal, cross-organizational dialog in the absence of face-to-face meetings. In a time of pandemic, organizations increasingly need to reach across perceived boundaries to learn from each other, so that we can move beyond stand-alone silos to more connected multidisciplinary and multiorganizational configurations. The present paper argues that the unplanned transition to remote work, overuse of electronic communication, and need to unlearn habits associated with an overreliance on face-to-face, created unique opportunities to learn from the situation and accelerate cross-institutional cooperation and collaboration through online community dialog facilitated by informal panel discussions. Recommendations for facilitating online panel discussions to foster cross-organizational dialog are provided by applying the Simulation Experience Design Method.

Raybourn, Elaine M.↗
DOE OSTI2023

Hyperdimensional scanning transmission electron microscopy and examinations and related systems, methods, and devices

A material identification system includes one or more data interfaces configured to receive first sensor data generated by a first sensor responsive to a material sample, and receive second sensor data generated by a second sensor responsive to the material sample. The material identification system also includes one or more processors configured to generate a set of predictions of an identification of the material sample and a corresponding set of certainty information.

Aguiar, Jeffery A.↗
DOE OSTI2026

Degenerate coupled-cluster theory

A size-extensive, converging, black-box, ab initio coupled-cluster (ΔCC) ansatz is introduced that computes the energies and wave functions of states from any degenerate or nondegenerate Slater-determinant references with any numbers of α- and β-spin electrons, any patterns of orbital occupancy, any spin multiplicities, and any spatial symmetries. For a nondegenerate reference, it reduces to the single-reference coupled-cluster ansatz. For a degenerate multireference, it is a natural coupled-cluster extension of degenerate Møller–Plesset perturbation (ΔMP) theory. For ionized and electron-attached references, it is a coupled-cluster Green’s function, although the present theory is convergent toward the full-configuration-interaction limits, while the Feynman–Dyson many-body Green’s function (MBGF) theory generally is not. Its single-excitation instance is a projection Hartree–Fock theory as per the Thouless theorem, which may be useful for core ionizations, high-spin states, and possibly electron affinities. Additionally, a new multireference coupled-cluster theory for a general model space is developed. This quasidegenerate coupled-cluster (QCC) theory is exactly converging, but not black-box, and intended for strong correlation. Determinant-based, general-order algorithms of ΔCC and QCC theories are implemented and compared with configuration-interaction (CI) and equation-of-motion coupled-cluster (EOM-CC) theories through octuple excitations and with ΔMP and MBGF theories up to the nineteenth order. An algebraic, optimal-scaling algorithm of the ΔCC theory is computer-synthesized at the levels of single excitations (ΔCCS) and of single and double excitations (ΔCCSD). As a result, the order of performance is QCC ≈ ΔCC > EOM-CC > CI at the same order or QCC ≈ ΔCC > ΔMP > MBGF at the same cost scaling.

Hirata, So [University of Illinois at Urbana-Champ↗
NASA NTRS1983

Analysis of the interaction of an electron beam with back surface field solar cells

In this paper the short circuit current Isc induced by the electron beam of a scanning electron microscope in a back surface field solar cell will be determined theoretically. It will be shown that, in a configuration used previously for solar cells with an ohmic back surface, the Isc gives a convenient means for estimating the back surface recombination velocities and thus the quality of back surface field cells. Numerical data will be presented applicable to a point source model for the electron-hole pair generation.

Von Roos, O.↗
NASA NTRS1996

A Cost Comparison of Alternative Approaches to Distance Education in Developing Countries

This paper presents a cost comparison of three approaches to two-way interactive distance learning systems for developing countries. Included are costs for distance learning hardware, terrestrial and satellite communication links, and designing instruction for two-way interactive courses. As part of this project, FSEC is developing a 30-hour course in photovoltaic system design that will be used in a variety of experiments using the Advanced Communications Technology Satellite (ACTS). A primary goal of the project is to develop an instructional design and delivery model that can be used for other education and training programs. Over two-thirds of the world photovoltaics market is in developing countries. One of the objectives of this NASA-sponsored project was to develop new and better energy education programs that take advantage of advances in telecommunications and computer technology. The combination of desktop video systems and the sharing of computer applications software is of special interest. Research is being performed to evaluate the effectiveness of some of these technologies as part of this project. The design of the distance learning origination and receive sites discussed in this paper were influenced by the educational community's growing interest in distance education. The following approach was used to develop comparative costs for delivering interactive distance education to developing countries: (1) Representative target locations for receive sites were chosen. The originating site was assumed to be Cocoa, Florida, where FSEC is located; (2) A range of course development costs were determined; (3) The cost of equipment for three alternative two-way interactive distance learning system configurations was determined or estimated. The types of system configurations ranged from a PC-based system that allows instructors to originate instruction from their office using desktop video and shared application software, to a high cost system that uses a electronic classroom; (4) A range of costs for both satellite and terrestrial communications was investigated; (5) The costs of equipment and operation of the alternative configurations for the origination and receive sites were determined; (6) A range of costs for several alternative delivery scenarios (i.e., a mix of live-interactive; asynchronous interactive;use of videotapes) was determined; and (7) A preferred delivery scenario, including cost estimate, was developed.

Ventre, Gerard G.↗
NASA NTRS2001

Resonance Scattering of Fe XVII X-Ray and EUV Lines

Over the years a number of calculations have been carried out to derive intensities of various X-ray and EUV lines in Fe XVII to compare with observed spectra. The predicted intensities have not agreed with solar observations, particularly for the line at 15.02 Angstroms; resonance scattering has been suggested as the source for much of the disagreement. The atomic data calculated earlier used seven configurations, 2s(sup 2) 2p(sup 6),2s(sup 2) 2p(sup 5)3s, 2s(sup 2) 2p(sup 5)3p, 2s(sup 2)2p(sup 5)3d, 2s2 p(sup 6)3s, 2s2p(sup 6)3p, and 2s2p(sup 6)3d, having n=3 orbitals and the scattering calculations in the distorted wave approximation were carried out only for incident energies above the threshold of the highest fine-structure level. These calculations have now been extended to thirteen configurations by adding six more configurations having n=4 orbitals, namely 2s(sup 2) 2p(sup 5)4s, 2s(sup 2) 2p(sup 5)4p, 2s(sup 2) 2p(sup 5)4d, 2s2p(sup 6)4s, 2s2p(sup 6)4p, and 2s2p(sup 6)4d, giving rise to 73 fine structure levels. The scattering calculations are carried out below as well as above the threshold of the highest fine-structure level. The incident energies below the threshold are 55.8, 65, 70, and 76 Ry and those above are 85, 127.5, 170, 212.5, 255, 340, and 425 Ry. The collision strengths are calculated up to total angular momentum L(sup T) = 33. Level populations and intensity ratios are calculated at various electron temperatures and densities. It is not possible to predict how the ratios would change when configurations with n=5 and 6 orbitals are added but some estimates have been made for a few transitions by Liedhal, who indicates an asymptotic convergence when n=5 and 6 orbitals are added. These improved calculations of Fe XVII change the intensity ratios compared to those obtained earlier, bringing the optically thin F(15.02)/F(16.78) ratio and several other ratios closer to the observed values: However, some disagreement with the solar observations still persists, even though the agreement of the presently calculated optically thin F(15.02)/F(15.26) ratio with the experimental results of Brown et al. and Laming et al. has improved. Some of the remaining discrepancy is still thought to be the effect of opacity, which is consistent with expected physical conditions for solar sources. EUV intensity ratios are also calculated and compared with observations. Level populations and intensity ratios are calculated, as a function of column density of Fe XVII, in the slab and cylindrical geometries. As found previously, the predicted intensities for the resonance lines at 15.02 and 15.26 Angstroms exhibit initial increases in flux relative to the forbidden line at 17.10 Angstroms and the resonance line at 16.78 Angstroms as optical thickness increases. The same behavior is predicted for the lines at 12.262 and 12.122 Angstroms. Predicted intensities for some of the allowed EUV lines are also affected by opacity.

Bhatia, A. K.↗
DOE OSTI2021

Cation-size mismatch as a predictive descriptor for structural distortion, configurational disorder, and valence-band splitting in II-IV-N2 semiconductors

The II-IV-N2 class of heterovalent ternary nitrides has gained significant interest as alternatives to the III-nitrides for electronic and optoelectronic applications. In this study, we apply first-principles calculations based on density functional theory to systematically investigate the effects of structural distortions due to cation size mismatch on the configurational disorder of the cation sublattice and the valence band structure in this class of materials. We find that larger size mismatch between the group-II and the group-IV cations results in stronger lattice distortions from the ideal hexagonal ratio, which in turn inhibits the propensity of these materials toward octet-rule violating cation disorder. We also demonstrate that the formation energy of a single cation antisite pair, which is fast and simple to calculate, is a strong indicator of a material's propensity toward disorder. Furthermore, the breaking of in-plane symmetry leads to a splitting of the top three valence bands at Γ, which is also directly related to the magnitude of structural distortions. Our work demonstrates that the structural and functional properties of the II-IV-N2 materials can be finely tuned through controllable structural distortions that stem from the choice of cations.

Kute, Malhar (ORCID:0000000214364564)↗
DOE OSTI2025

Photoinduced electronic excitations drive polymerization of carbon monoxide: A first-principles study

Under pressure, carbon monoxide (CO) transforms into a polymer that can be recovered to ambient conditions. While this transformation can occur without additional stimuli, experimental observations have shown that laser irradiation can induce a similar transformation at reduced pressure. The resulting polymeric phase, which is metastable under ambient conditions, releases energy through decomposition into more stable configurations. Using time-dependent density functional theory and Born–Oppenheimer molecular dynamics simulations, we investigate the mechanism by which electronic excitation facilitates CO polymerization. Our calculations reveal that electronic excitation enhances carbon–carbon bonding, enabling polymerization at pressures significantly lower than those required by conventional compression methods. In conclusion, these findings suggest that a photo-assisted approach could be employed to synthesize novel, potentially energetic materials under less demanding pressure conditions.

Born-Oppenheimer molecular dynamics↗
DOE OSTI2025

Large radiation back-flux from Monte Carlo simulations of fusion neutron–material interactions

Abstract Fusion power reactors will generate intense neutron fluxes into plasma-facing and structural materials (SMs). Radiation back-fluxes, generated from neutron–material interactions under these fluxes, can dramatically impact the plasma dynamics, e.g. by seeding runaway electrons during disruptions via Compton scattering of background electrons by wall-emitted gamma radiation. Here, we quantify these back-fluxes, including neutrons, gamma rays, and electrons, using Monte Carlo calculations for a range of SM candidates and first wall (FW) thicknesses. The radiation back-flux magnitudes are remarkably large, with neutron and gamma radiation back-fluxes on the same order of magnitude as the incident fusion neutron flux. Electron back-fluxes are two orders of magnitudes lower, but are emitted at sufficiently high energies to impact the sheath and boundary plasma dynamics. Material configuration plays a key role in determining back-flux magnitudes. The SM chiefly determines the neutron back-flux magnitude, while the FW thickness principally attenuates the gamma ray and electron back-fluxes. In addition to prompt back-fluxes, which are emitted immediately after fusion neutrons impact the surface, significant delayed gamma ray and electron back-fluxes arise from nuclear decay processes in the activated materials. These delayed back-flux magnitudes range from 2% to 7% of the prompt back-fluxes, and remain present during transients when fusion no longer occurs. During disruptions, build-up of delayed gamma radiation back-flux represents potential runaway electron seeding mechanisms, posing additional challenges for disruption mitigation in a power reactor compared with non-nuclear plasma operations. This work highlights the impact of these radiation back-fluxes plasma performance and demonstrates the importance of considering back-flux generation in materials selection for fusion power reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1987

Design of a reconfigurable modular manipulator system

Using manipulators with a fixed configuration for specific tasks is appropriate when the task requirements are known beforehand. However, in less predictable situations, such as an outdoor construction site or aboard a space station, a manipulator system requires a wide range of capabilities, probably beyond the limitations of a single, fixed-configuration manipulator. To fulfill this need, researchers have been working on a Reconfigurable Modular Manipulator System (RMMS). Researchers have designed and are constructing a prototype RMMS. The prototype currently consists of two joint modules and four link modules. The joints utilize a conventional harmonic drive and torque motor actuator, with a small servo amplifier included in the assembly. A brushless resolver is used to sense the joint position and velocity. For coupling the modules together, a standard electrical connector and V-band clamps for mechanical connection are used, although more sophisticated designs are under way for future versions. The joint design yields an output torque to 50 ft-lbf at joint speeds up to 1 radian/second. The resolver and associated electronics have resolutions of 0.0001 radians, and absolute accuracies of plus or minus 0.001 radians. Manipulators configured from these prototype modules will have maximum reaches in the 0.5 to 2 meter range. The real-time RMMS controller consists of a Motorola 68020 single-board computer which will perform real time servo control and path planning of the manipulator. This single board computer communicates via shared memory with a SUN3 workstation, which serves as a software development system and robot programming environment. Researchers have designed a bus communication network to provide multiplexed communication between the joint modules and the computer controller. The bus supports identification of modules, sensing of joint states, and commands to the joint actuator. This network has sufficient bandwidth to allow servo sampling rates in excess of 500 Hz.

Schmitz, D.↗
NASA NTRS2004

Fuel Flexible Gas Turbine Combustor Flametube Facility Upgraded

In fiscal year 2003, test cell 23 of the Research Combustion Laboratory (RCL 23) at the NASA Glenn Research Center was upgraded with the addition of gaseous hydrogen as a working propellant and the addition of a 450-psig air-supply system. Test flexibility was further enhanced by upgrades to the facility control systems. RCL 23 can now test with gaseous hydrogen flow rates up to 0.05 lbm/sec and jet fuel flow rates up to 0.62 lbm/sec. Research airflow rates up to 3 lbm/sec are possible with the 450-psig supply system over a range of inlet temperatures. Nonvitiated, heated air is supplied from a shell and tube heat exchanger. The maximum nonvitiated facility air temperature is 1100 F at 1.5 lbm/sec. Research-section exhaust temperatures are limited to 3200 F because of material and cooling capacity limits. A variety of support systems are available depending on the research hardware configuration. Test section ignition can be provided via either a hydrogen air torch system or an electronic spark system. Emissions measurements are obtained with either pneumatically or electromechanically actuated gas sample probes, and the electromechanical system allows for radial measurements at a user-specified axial location for measurement of emissions profiles. Gas analysis data can be obtained for a variety of species, including carbon monoxide (CO), carbon dioxide (CO2), nitrogen oxides (NO and NOx), oxygen (O2), unburnt hydrocarbons, and unburnt hydrogen. Facility control is accomplished with a programmable logic control system. Facility operations have been upgraded to a system based on graphical user interface control screens. A data system is available for real-time acquisition and monitoring of both measurements in engineering units and performance calculations. The upgrades have made RCL 23 a highly flexible facility for research into low emissions gas turbine combustor concepts, and the flame tube configuration inherently allows for a variety of fuel nozzle configurations to be tested in a cost-effective manner. RCL 23 is poised to be a leading facility for developing modern low-emission fuel nozzles for use with jet fuel and alternative fuels.

Little, James E.↗
DOE OSTI2020

Displacement of carbon atoms in few-layer graphene

Molecular dynamics simulations were performed to study the susceptibility of carbon atom displacement under electron irradiation. The mapping of threshold displacement energies at different recoiling directions showed that the energies are very sensitive to the layer configurations and positions of neighboring atoms. Carbon atoms on the top and the bottom layers of few-layer graphene are most vulnerable to irradiation damage due to lack of constraints from the neighboring graphene layers. As indirect experiment evidence, transmission electron microscopy was performed on the edge of folded few-layer graphene, which made it possible to reveal “the inside” and compare irradiation tolerance of atoms at different layers, by using an electron analysis beam for both displacement creation and in situ characterization.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Density functional theory investigations into the magnetic ordering of U 3 O 8

Density functional theory (DFT) has been highly successful in supporting experimental materials science; however, a correct electronic ground state is required to realize the full theoretical capacity of DFT. The uranium oxides, α–U 3 O 8 in particular, are simultaneously technologically important materials and theoretically challenging for DFT because the uranium magnetic ground state is not obvious. This is true for both experiment and theory—magnetic susceptibility measurements indicate an antiferromagnetic (AFM) ground state with transitions near 4.2 and 8.0 K, but the ordering itself is not known. Theoretical literature reports are in contradiction, with independent studies finding paramagnetic, ferromagnetic (FM), and AFM states as the lowest energy configuration. However, recent inelastic neutron scattering experiments suggested an uninvestigated magnetic structure with ordering along the [0.5 1 1] plane, motivating a theoretical reinvestigation. Using this insight, we calculated the relative energy of FM and AFM orderings along [0.5 1 1], [0.5 0 0], [0 1 0], and [0 0 1] using noncollinear DFT calculations with spin-orbital coupling. In this work, we found that the [0.5 1 1] AFM structure is lower in energy than FM or AFM orderings along the low Miller index directions. We also investigated polarization of the magnetic moment along each lattice vector and found that polarization along the out-of-plane direction is the energetically preferred orientation for the AFM structures. Additionally, we found in all calculations that moments initially pointing along the in-plane lattice vectors significantly relax until they point along the coordinate between the two crystallographically distinct uranium sites with complex noncollinear magnetic configurations. The new [0.5 1 1] AFM magnetic structure provides an additional path forward toward understanding the electronic structure of α-U 3 O 8 and lends theoretical credibility to recent neutron scattering results.

36 MATERIALS SCIENCE↗