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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

Low-energy electron effects on tensile modulus and infrared transmission properties of a polypyromellitimide film

Infrared (IR) spectroscopy and tensile modulus testing were used to evaluate the importance of experimental procedure on changes in properties of pyromellitic dianhydride-p,p prime-oxydianiline film exposed to electron radiation. The radiation exposures were accelerated, approximate equivalents to the total dose expected for a 30 year mission in geosynchronous Earth orbit. The change in the tensile modulus depends more on the dose rate and the time interval between exposure and testing than on total dose. The IR data vary with both total dose and dose rate. A threshold dose rate exists below which reversible radiation effects on the IR spectra occur. Above the threshold dose rate, irreversible effects occur with the appearance of a new band. Post-irradiation and in situ IR absorption bands are significantly different. It is suggested that the electron radiation induced metastable, excites molecular states.

Ferl, J. E.↗
DOE OSTI2025

Quick-and-Easy Validation of Protein–Ligand Binding Models Using Fragment-Based Semiempirical Quantum Chemistry

Electronic structure calculations in enzymes converge very slowly with respect to the size of the model region that is described using quantum mechanics (QM), requiring hundreds of atoms to obtain converged results and exhibiting substantial sensitivity (at least in smaller models) to which amino acids are included in the QM region. As such, there is considerable interest in developing automated procedures to construct a QM model region based on well-defined criteria. However, testing such procedures is burdensome due to the cost of large-scale electronic structure calculations. Here, we show that semiempirical methods can be used as alternatives to density functional theory (DFT) to assess convergence in sequences of models generated by various automated protocols. The cost of these convergence tests is reduced even further by means of a many-body expansion. We use this approach to examine convergence (with respect to model size) of protein–ligand binding energies. Fragment-based semiempirical calculations afford well-converged interaction energies in a tiny fraction of the cost required for DFT calculations. Two-body interactions between the ligand and single-residue amino acid fragments afford a low-cost way to construct a “QM-informed” enzyme model of reduced size, furnishing an automatable active-site model-building procedure. This provides a streamlined, user-friendly approach for constructing ligand binding-site models that needs neither a priori information nor manual adjustments. Extension to model-building for thermochemical calculations should be straightforward.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

The overlapping fragment approach for non-orthogonal configuration interaction with fragments

The non-orthogonal configuration interaction with fragments (NOCI-F) approach is extended opening the possibility to study intramolecular processes and materials with covalent or ionic lattices. So far, NOCI-F has been applied to study intermolecular energy and electron transfer employing ensembles of fragments that do not have atoms or bonds in common. The here presented approach divides the target system into two overlapping fragments that share one or more atoms and/or one or more bonds. After the construction of a collection of (multiconfigurational) fragment wave functions in a state specific optimization procedure, the fragment wave functions are combined to form many-electron basis functions for the non-orthogonal configuration interaction of the whole system. The orbitals in the overlapping fragment are defined by a corresponding orbital transformation of the fragment orbitals through a singular value decomposition. The overlapping fragments approach is first illustrated for a model system and then used to highlight some possible applications of NOCI with overlapping fragments. In conclusion, the results of excited state diffusion in transition metal oxide, intramolecular singlet fission and magnetic interactions in organic biradicals and ionic compounds are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Oscillator strengths of some Ba lines - A treatment including core-valence correlation and relativistic effects

Theoretical calculations of selected excitation energies and oscillator strengths for Ba are presented that overcome the difficulties of previous theoretical treatments. A relativistic effective-core potential treatment is used to account for the relativistic core contraction, but the outermost ten electrons are treated explicitly. Core-valence correlation can be included in this procedure in a rigorous and systematic way through a configuration-interaction calculation. Insight is gained into the importance of relativistic effects by repeating many of the calculations using an all-electron nonrelativistic treatment employing an extended Slater basis set. It is found that the intensity of the intercombination line 3P1-1S0 is accurately determined by accounting for the deviation from LS coupling through spin-orbit mixing with the 1P1 state, and that deviations from the Lande interval rule provide an accurate measure of the degree of mixing.

Bauschlicher, C. W., Jr.↗
NASA NTRS2008

Disabling CNT Electronic Devices by Use of Electron Beams

Bombardment with tightly focused electron beams has been suggested as a means of electrically disabling selected individual carbon-nanotubes (CNTs) in electronic devices. Evidence in support of the suggestion was obtained in an experiment in which a CNT field-effect transistor was disabled (see figure) by focusing a 1-keV electron beam on a CNT that served as the active channel of a field-effect transistor (FET). Such bombardment could be useful in the manufacture of nonvolatile-memory circuits containing CNT FETs. Ultimately, in order to obtain the best electronic performances in CNT FETs and other electronic devices, it will be necessary to fabricate the devices such that each one contains only a single CNT as an active element. At present, this is difficult because there is no way to grow a single CNT at a specific location and with a specific orientation. Instead, the common practice is to build CNTs into electronic devices by relying on spatial distribution to bridge contacts. This practice results in some devices containing no CNTs and some devices containing more than one CNT. Thus, CNT FETs have statistically distributed electronic characteristics (including switching voltages, gains, and mixtures of metallic and semiconducting CNTs). According to the suggestion, by using a 1-keV electron beam (e.g., a beam from a scanning electron microscope), a particular nanotube could be rendered electrically dysfunctional. This procedure could be repeated as many times as necessary on different CNTs in a device until all of the excess CNTs in the device had been disabled, leaving only one CNT as an active element (e.g., as FET channel). The physical mechanism through which a CNT becomes electrically disabled is not yet understood. On one hand, data in the literature show that electron kinetic energy >86 keV is needed to cause displacement damage in a CNT. On the other hand, inasmuch as a 1-keV beam focused on a small spot (typically a few tens of nanometers wide) deposits a significant amount of energy in a small volume, the energy density may suffice to thermally induce structural and/or electronic changes that disable the CNT. Research may be warranted to investigate this effect in detail.

Petkov, Mihail↗
NASA NTRS1980

An electron-microscope study of alpha to gamma transformation in an iron-nickel alloy

Procedures used to study the alpha to gamma conversion in thin foils of an iron alloy with 32% nickel concentration and initial martensite conversion temperature of -60 C are described. Photomicrographs show deformation twinning as well as changes in samples after they were heated. Reverse conversion is discussed and results are examined.

Lobodyuk, V. A.↗
DOE OSTI2024

Elucidating Photoinduced Processes of Photosystem I Via Multidimensional Electronic and Vibrational Spectroscopies

This project was motivated by an overarching goal to elucidate the mechanism of energy and electron transfer that governs the efficient charge separation in photosystem I (PSI) complexes. PSI is a natural light harvesting complex that drives oxygenic photosynthesis in plants, algae, and cyanobacteria. It uses ~300 tightly packed chlorophylls (Chls) to absorb photons, transfer the excitation energy to the reaction center (RC), and generate a charge separated state with near unity quantum efficiency (QE). A better understanding of the mechanism of energy transfer and charge separation in PSI is required for understanding the high QE of natural light harvesting complexes, and it could lead to the further development of artificial photosynthetic systems for solar energy conversion and modification of light harvesting complexes to improve crop yields. We applied two-dimensional optical spectroscopies to different cyanobacterial photosystem I complexes, including PSI complexes that contain Chl f molecules, to map energy transfer pathways and gain insight into the efficient light harvesting of PSI. We used two-dimensional electronic spectroscopies (2DES) to map energy transfer in Chl a and Chl f containing PSI complexes. To investigate the Chl f PSI complexes, we modified our spectrometer to probe the lower energy states associated with Chl f molecules. We interpreted the 2DES spectra through global analysis procedures to generate maps of energy transfer. We also constructed a two-dimensional electronic vibrational (2DEV) spectrometer that will be used to investigate charge transfer transitions and dynamics within PSI complexes. Measurements were performed on model systems to establish general data analysis procedures for interpreting 2D spectra and gain insight into protein cofactor interactions.

14 SOLAR ENERGY↗
NASA NTRS1973

Nonlinear propagation of electromagnetic waves in a plasma containing random irregularities.

The problem of propagation of finite-amplitude electromagnetic waves in a plasma containing random irregularities is studied. Using a recently developed perturbation technique, a general equation for finite amplitude coherent waves is derived. Included in this equation are both the effects of quasi-harmonic nonlinear heating of electrons and random scattering by irregularities. The equation is solved in general by the equivalent linearization procedure. The amplitude of the coherent wave is found to be attenuated by collision and scattering. Both attenuation are affected by the nonlinear heating of the electrons. Curves showing the results for a specific example will be presented.

Liu, C. H.↗
NASA NTRS1978

A Multi-Band Far-Infrared Survey with a Balloon-Borne Telescope

Nine additional radiation sources, above a 3-sigma confidence level of 1300 Jy, were identified at 100 microns by far infrared photometry of the galactic plane using a 0.4 meter aperture, liquid helium cooled, multichannel far infrared balloon-borne telescope. The instrument is described, including its electronics, pointing and suspension systems, and ground support equipment. Testing procedures and flight staging are discussed along with the reduction and analysis of the data acquired. The history of infrared astronomy is reviewed. General infrared techniques and the concerns of balloon astronomers are explored.

Jacobson, M. R.↗
NASA NTRS1981

Curved-channel microchannel array plates

The microchannel array plate (MCP) is a photoelectric detector with an imaging capability comparable to that of a photographic plate. Recently MCPs in which the channels are curved to inhibit ion feedback have become available. These devices represent a major advance in MCP technology, since a single curved-channel MCP can be operated stably at high gain in the pulse-counting mode without any of the problems of stability of response or short lifetime reported for 'chevron' MCP detectors. Attention is given to the mode of operation of channel electron multipliers (CEM) and MCP, curved-channel MCP, test procedures, and performance characteristics. The accumulated test data show that the fundamental operating characteristics of the curved-channel MCP are directly related to those for the CEM.

Timothy, J. G.↗
NASA NTRS1984

Covalent bonding effect on the mean excitation energy of H2 with the local plasma model

Chemical bonding is taken into account explicitly in the determination of the mean excitation energy (I) for stopping power of H2 with the local plasma approximation by employing molecular electronic wave functions for H2 for the first time. This procedure leads to a new value for IH2 that is higher than all accepted experimental and theoretical values.

Kamaratos, E.↗
NASA NTRS1991

Aviation safety and automation technology for subsonic transports

Discussed here are aviation safety human factors and air traffic control (ATC) automation research conducted at the NASA Ames Research Center. Research results are given in the areas of flight deck and ATC automations, displays and warning systems, crew coordination, and crew fatigue and jet lag. Accident investigation and an incident reporting system that is used to guide the human factors research is discussed. A design philosophy for human-centered automation is given, along with an evaluation of automation on advanced technology transports. Intelligent error tolerant systems such as electronic checklists are discussed along with design guidelines for reducing procedure errors. The data on evaluation of Crew Resource Management (CRM) training indicates highly significant positive changes in appropriate flight deck behavior and more effective use of available resources for crew members receiving the training.

Albers, James A.↗
NASA NTRS2011

Telemedicine in Space Flight - Summary of a NASA Workshop

The Exploration Medical Capability Element of the Human Research Program at NASA Johnson Space Center hosted the Telemedicine Workshop in January 2011 to discuss the medical operational concept for a crewed mission to a near-Earth asteroid (NEA) and to identify areas for future work and collaboration. With the increased likelihood of a medical incident on a long duration exploration mission to a near-Earth asteroid, as well as the fact that there will likely be limited medical capabilities and resources available to diagnose and treat medical conditions, it is anticipated that a more structured use of telemedicine will become highly desirable. The workshop was convened to solicit expert opinion on current telemedicine practices and on medical care in remote environments. Workshop Objectives: The workshop brought together leaders in telemedicine and remote medicine from The University of Texas Medical Branch, Henry Ford Hospital, Ontario Telemedicine Network, U.S. Army Institute of Surgical Research, University of Miami, American Telemedicine Association, Doctors Without Borders, and the Pan American Health Organization. The primary objectives of the workshop were to document the medical operations concept for a crewed mission to a NEA, to determine gaps between current capabilities and the capabilities outlined in the operations concept, to identify research required to close these gaps, and to discuss potential collaborations with external-to-NASA organizations with similar challenges. Summary of Discussions and Conclusions: The discussions held during the workshop and the conclusions reached by the workshop participants were grouped into seven categories: Crew Medical Officers, Patient Area in Spacecraft, Training, Electronic Medical Records, Intelligent Care Systems, Consultation Protocols, Prophylactic Surgical Procedures, and Data Prioritization. The key points discussed under each category will be presented.

Barsten, K. N.↗
NASA NTRS1976

Status of research into lightning effects on aircraft

Developments in aircraft lightning protection since 1938 are reviewed. Potential lightning problems resulting from present trends toward the use of electronic controls and composite structures are discussed, along with presently available lightning test procedures for problem assessment. The validity of some procedures is being questioned because of pessimistic results and design implications. An in-flight measurement program is needed to provide statistics on lightning severity at flight altitudes and to enable more realistic tests, and operators are urged to supply researchers with more details on electronic components damaged by lightning strikes. A need for review of certain aspects of fuel system vulnerability is indicated by several recent accidents, and specific areas for examination are identified. New educational materials and standardization activities are also noted.

Plumer, J. A.↗
NASA NTRS2019

Overview of Developments in Voluntary Consensus Standards for Counterfeit Parts Avoidance

The presentation provides an introduction to the electronic parts supply chain and various standards used for preventing counterfeit parts. The presentation provides detailed instruction on various non-destructive techniques, destructive and analytical steps for inspecting suspect counterfeit parts. The techniques are based on the AS6171 Aerospace Standard which standardizes the test and inspection procedures, workmanship criteria, and minimum training and certification requirements to detect counterfeit electrical, electronic, and electromechanical parts. Also included are discussions of other inspection, sampling and distribution standards.

Sood, Bhanu↗
NASA NTRS1972

Observations of Interchange Between Acceleration and Thermalization Processes in Auroral Electrons

The results of high time-resolution measurements of energetic electrons in an auroral break up are presented. Electrons with energies from 500 eV to over 100 keV and pitch angles from 0 to 150 deg were detected with two detectors onboard sounding rocket 18:63 UE. Complete energy spectra were taken every 0.1 seconds. The procedure for cleaning and activating the BeCu dynodes of a small, rugged, high gain electron multiplier is described. A theoretical study of the energy-angular response of a spherical plate electrostatic analyzer is compared to experimental results. An energy spectrum unfolding technique which does not require the assumption of a histogram-type energy spectrum is presented. A method of determining sounding rocket orientation from the output of a single magnetometer is described.

Pongratz, M. B.↗