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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 NTRS2000

The Combined Influence of Molecular Weight and Temperature on the Aging and Viscoelastic Response of a Glassy Thermoplastic Polyimide

The effect of molecular weight on the viscoelastic performance of an advanced polymer (LaRC-SI) was investigated through the use of creep compliance tests. Testing consisted of short-term isothermal creep and recovery with the creep segments performed under constant load. The tests were conducted at three temperatures below the glass transition temperature of five materials of different molecular weight. Through the use of time-aging-time superposition procedures, the material constants, material master curves and aging-related parameters were evaluated at each temperature for a given molecular weight. The time-temperature superposition technique helped to describe the effect of temperature on the timescale of the viscoelastic response of each molecular weight. It was shown that the low molecular weight materials have higher creep compliance and creep rate, and are more sensitive to temperature than the high molecular weight materials. Furthermore, a critical molecular weight transition was observed to occur at a weight-average molecular weight of M (bar) (sub w) 25000 g/mol below which, the temperature sensitivity of the time-temperature superposition shift factor increases rapidly. The short-term creep compliance data were used in association with Struik's effective time theory to predict the long-term creep compliance behavior for the different molecular weights. At long timescales, physical aging serves to significantly decrease the creep compliance and creep rate of all the materials tested.

Nicholson, Lee M.↗
NASA NTRS1974

Reinvestigation of rotational-line intensity factors in diatomic spectra

The theory of the intensity factors of rotational lines in diatomic molecular spectra is reviewed with an emphasis on removing obscurities and resolving ambiguities that exist. For example, a unified intensity-factor sum rule is derived that is valid for all spin-allowed and spin-forbidden dipole transitions. Further, it is shown that the electronic transition moments can always be chosen to be real and that a few simple rules ensure the application of consistent phase factors.

Whiting, E. E.↗
NASA NTRS1986

Microwave spectrum and structure of bicyclo /1.1.1/ pentanone and comparison with several theoretical structures

The microwave spectra of five isotopic species of bicyclo (1.1.1) pentanone have been investigated. The rotational constants along with various centrifugal distortion constants for each species have been determined. From the rotational constants, a complete r(s) structure has been determined for the heavy atoms. Analysis of Stark effect measurements has shown the dipole moment to be along the a principal inertial axis with a magnitude of 3.164 (5) D. These results are compared with those obtained by four current theoretical methods: molecular mechanics (MM2), MNDO, and Hartree-Fock ab initio theory with STO-3G and 3-21G basis sets.

Mcrae, Glenn A.↗
NASA NTRS1990

Shock temperature measurements of planetary ices - NH3, CH4, and 'synthetic Uranus'

Shock temperature measurements have been performed on several materials which have relevance to the modeling of the outer planets. These materials are methane, ammonia and a mixture of water, ammonia, and isopropanol known as synthetic Uranus. Temperatures have been measured in these materials over the pressure range 33-76 GPa for which there also exists measurements of equation of state and electrical conductivity. The temperatures are found to agree well with available calculations, with small discrepancies between data and theory ascribed to energy absorbing processes such as dissociation and molecular ionization.

Radousky, H. B.↗
NASA NTRS1993

Space radiation health research, 1991-1992

The present volume is a collection of 227 abstracts of radiation research sponsored by the NASA Space Radiation Health Program for the period 1991-1992. Each abstract has been categorized within one of three discipline areas: Physics, Biology and Risk Assessment. Topic areas within each discipline have been assigned as follows: Physics - Atomic Physics, Theory, Cosmic Ray and Astrophysics, Experimental, Environments and Environmental Models, Solar Activity and Prediction, Experiments, Radiation Transport and Shielding, Theory and Model Development, Experimental Studies, and Instrumentation. Biology - Biology, Molecular Biology, Cellular Radiation Biology, Transformation, Mutation, Lethality, Survival, DNA Damage and Repair, Tissue, Organs, and Organisms, In Vivo/In Vitro Systems, Carcinogenesis and Life Shortening, Cataractogenesis, Genetics/Developmental, Radioprotectants, Plants, and Other Effects. Risk Assessment - Risk Assessment, Radiation Health and Epidemiology, Space Flight Radiation Health Physics, Inter- and Intraspecies Extrapolation and Radiation Limits and Standards. Section I contains refereed journals; Section II contains reports/meetings. Keywords and author indices are provided. A collection of abstracts spanning the period 1986-1990 was previously issued as NASA Technical Memorandum 4270.

Jablin, M. H.↗
NASA NTRS1994

A Doubles Correction to Electronic Excited States from Configuration Interaction in the Space of Single Substitutions

A perturbative correction to the method of configuration interaction with single substitutions (CIS) is presented. This CIS(D) correction approximately introduces the effect of double substitutions which are absent in CIS excited states. CIS(D) is a second-order perturbation expansion of the coupled-cluster excited state method, restricted to single and double substitutions, in a series in which CIS is zeroth order, and the first-order correction vanishes. CIS (D) excitation energies are size consistent and the calculational complexity scales with the fifth power of molecular size, akin to second-order Moller-Plesset theory for the ground state. Calculations on singlet excited states of ethylene, formaldehyde, acetaldehyde, butadiene and benzene show that CIS (D) is a uniform improvement over CIS. CIS(D) appears to be a promising method for examining excited states of large molecules, where more accurate methods are not feasible.

Head-Gordon, Martin↗
NASA NTRS1999

Computational Study of Field Initiated Surface Reactions for Synthesis of Diamond and Silicon

This project involves using quantum chemistry to simulate surface chemical reactions in the presence of an electric field for nanofabrication of diamond and silicon. A field delivered by a scanning tunneling microscope (STM) to a nanometer scale region of a surface affects chemical reaction potential energy surfaces (PES) to direct atomic scale surface modification to fabricate sub-nanometer structures. Our original hypothesis is that the applied voltage polarizes the charge distribution of the valence electrons and that these distorted molecular orbitals can be manipulated with the STM so as to change the relative stabilities of the electronic configurations over the reaction coordinates and thus the topology of the PES and reaction kinetics. Our objective is to investigate the effect of applied bias on surface reactions and the extent to which STM delivered fields can be used to direct surface chemical reactions on an atomic scale on diamond and silicon. To analyze the fundamentals of field induced chemistry and to investigate the application of this technique for the fabrication of nanostructures, we have employed methods capable of accurately describing molecular electronic structure. The methods we employ are density functional theory (DFT) quantum chemical (QC) methods. To determine the effect of applied bias on surface reactions we have calculated the QC PESs in various applied external fields for various reaction steps for depositing or etching diamond and silicon. We have chosen reactions which are thought to play a role in etching and the chemical vapor deposition growth of Si and diamond. The PESs of the elementary reaction steps involved are then calculated under the applied fields, which we vary in magnitude and configuration. We pay special attention to the change in the reaction barriers, and transition state locations, and search for low energy reaction channels which were inaccessible without the applied bias.

Musgrave, Charles Bruce↗
NASA NTRS2019

Imaging the Key Stages of Planet Formation

New images of young stars are revolutionizing our understanding of planet formation. ALMA detects large grains in planet‐forming disks with few AU scale resolution and scattered light imaging with extreme adaptive optics systems reveal small grains suspended on the disks’ flared surfaces. Tantalizing evidence for young exoplanets is emerging from line observations of CO and H‐alpha. In this white paper, we explore how even higher angular resolution can extend our understanding of the key stages of planet formation, to resolve accreting circumplanetary disks themselves, and to watch planets forming in situ for the nearest star‐forming regions. We focus on infrared observations which are sensitive to thermal emission in the terrestrial planet formation zone and allow access to molecular tracers in warm ro‐vibrational states. Successful planet formation theories will not only be able to explain the diverse features seen in disks, but will also be consistent with the rich exoplanet demographics from RV and transit surveys. While we are far from exhausting ground‐based techniques, the ultimate combination of high angular resolution and high infrared sensitivity can only be achieved through mid‐infrared space interferometry.

John Monnier↗
NASA NTRS1998

Interstellar Extinction in the Vicinity of the Galactic Center

We present J (1.2 microns) H (1-6 microns) K' (2.11 microns) and Br(gamma) (2.166 microns) images from four large regions within the central 40 pc of the Galaxy. Localized variations in the extinction, as determined by observations of the stellar population, are examined using the median H-K' color as a function of position within each region. As the value of the derived extinction from the stars is dependent upon the intrinsic magnitude of the assumed stellar type, the J-H vs. H-K' diagrams are first used to investigate the distribution of stellar types in the four regions. We find that there is a distinct OB population, contrary to earlier assumptions, with the ratio of K and M giants and supergiants to OB stars approximately twice that of the solar neighborhood. Although the on the scale of approx. 1 min. fluctuations in the extinction are on the order of A(sub V) approx. greater than 2, throughout the entire region the extinction varies from A(sub V) approx. greater than 25 to A(sub V) approx. less than 40. We also examine whether there is any variation in the extinction and stellar number density relative to the unusual radio features in these regions and do not find a significant correlation. Spectral imaging in Br(gamma) 2.166 microns emission shows a strong morphological correspondence between the 6 cm radio images and the diffuse Br(gamma) emission. By comparing the theoretical Br(gamma) flux derived from the radio flux using recombination theory, with our measured Br(gamma) flux, we obtain a second, independent, estimate of the extinction. We compare the two data sets and find that the extinction as derived from the stars is consistently greater, sometimes by a factor of two, than the value of the extinction derived from the Br(gamma) images. The derived extinction in various regions, however, is insufficient for any of these regions to be located behind the molecular clouds as previously observed in the Galactic Center, consistent with the theory that the observed radio emission is produced on the foreground surface of these clouds.

Cotera, Angela S.↗
NASA NTRS2000

Interstellar Extinction in the Vicinity of the Galactic Center

We present J (1.2 microns), H (1-6 microns), K' (2.11 microns) and Br(gamma) (2.166 microns) images from four large regions within the central 40 pc of the Galaxy. Localized variations in the extinction, as determined by observations of the stellar population, are examined using the median H-K' color as a function of position within each region. As the value of the derived extinction from the stars is dependent upon the intrinsic magnitude of the assumed stellar type, the J-H vs. H-K' diagrams are first used to investigate the distribution of stellar types in the four regions. We find that there is a distinct OB population, contrary to earlier assumptions, with the ratio of K and M giants and supergiants to OB stars approximately twice that of the solar neighborhood. Although the on the scale of approx. l' fluctuations in the extinction are on the order of A(sub V) approx. 2, throughout the entire region the extinction varies from A(sub V) approx. greater than 25 to A(sub V) approx. less than 40. We also examine whether there is any variation in the extinction and stellar number density relative to the usual radio features in these regions and do not find a significant correlation. Spectral imaging in Br(gamma) 2.166 microns emission shows a strong morphological correspondence between the 6 cm radio images and the diffuse Br(gamma) emission. By comparing the theoretical Br(gamma) flux derived from the radio flux using recombination theory, with our measured Br(gamma) flux, we obtain a second, independent, estimate of the extinction. We compare the two data sets and find that the extinction as derived from the stars is consistently greater, sometimes by a factor of two, than the value of the extinction derived from the Br(gamma) images. The derived extinction in various regions, however, is insufficient for any of these regions-to be located behind the molecular clouds as previously observed in the Galactic Center, consistent with the theory that the observed radio emission is produced on the foreground surface of these clouds.

Cotera, Angela S.↗
NASA NTRS2002

The kinetics of root gravitropism: dual motors and sensors

The Cholodny-Went theory of tropisms has served as a framework for investigation of root gravitropism for nearly three quarters of a century. Recent investigations using modern techniques have generated findings consistent with the classical theory, including confirmation of asymmetrical distribution of polar auxin transport carriers, molecular evidence for auxin asymmetry following gravistimulation, and generation of auxin response mutants with predictable lesions in gravitropism. Other results indicate that the classical model is inadequate to account for key features of root gravitropism. Initiation of curvature, for example, occurs outside the region of most rapid elongation and is driven by differential acceleration rather than differential inhibition of elongation. The evidence indicates that there are two motors driving root gravitropism, one of which appears not to be auxin regulated. We have recently developed technology that is capable of maintaining a constant angle of gravistimulation at any selected target region of a root while continuously monitoring growth and curvature kinetics. This review elaborates on the advantages of this new technology for analyzing gravitropism and describes applications of the technology that reveal (1) the existence of at least two phases to gravitropic motor output, even under conditions of constant stimulus input and (2) the existence of gravity sensing outside of the root cap. We propose a revised model of root gravitropism including dual sensors and dual motors interacting to accomplish root gravitropism, with only one of the systems linked to the classical Cholodny-Went theory.

Review↗
NASA NTRS1982

Detonation propulsion experiments and theory

Test data are presented for the use of a single detonation of explosives in long-cone, short-cone, straight, and firing-plug nozzles to provide propulsion in a simulated Jupiter atmosphere, as well as the ambient gases N, CO2 and He. The long-cone nozzle yielded a progressive increase with ambient pressure for the higher molecular weight gases CO2 and N, while the lower molecular weight He and simulated Jupiter atmosphere showed a specific pulse decrease with increasing ambient pressure. The short-plug nozzle yielded a small specific impulse reduction with increasing ambient pressure, and its results were found to be nearly independent of ambient gas molecular weight. All data gathered are analyzed by using first principles, approximate blast wave theory predictions, and two-dimensional numerical calculations. Rarefaction and oscillatory wave phenomena are found to significantly influence specific impulse.

Back, L. H.↗
NASA NTRS1993

Starburst models of merging galaxies

In the past decade, infrared observations have shown that interacting and merging galaxies have higher luminosities than isolated systems, with the luminosities in mergers as high as 10(exp 12) solar luminosity. However, the origin of the luminosity found in mergers is controversial, with two main competing theories. The first is the starburst scenario. As two gas rich galaxies start to merge, cloud-cloud collisions induce fast shocks in the molecular gas. This gas cools, collapses, and fragments, producing a blast of star formation. The main rival to this theory is that the infrared luminosity is produced by a dust embedded active nucleus, the merger of two gas rich galaxies providing the 'fuel to feed the monster'. There has even been speculation that there is an evolutionary link between starbursts and active nuclei, and that possibly active galactic nuclei (AGN's) and QSO's were formed from a starburst. Assuming that the infrared luminosity in merging galaxies is due to star formation, there should be ionizing photons produced from the high mass stars, giving rise to recombination line emission. The objective is to use a simple starburst model to test the hypothesis that the extreme infrared luminosity of merging galaxies is due to a starburst.

Prestwich, Andrea H.↗
NASA NTRS1973

Theoretical and experimental investigations of superconductivity. Amorphous semiconductors, superconductivity and magnetism

The research activities from 1 March 1963 to 28 February 1973 are summarized. Major lectures are listed along with publications on superconductivity, superfluidity, electronic structures and Fermi surfaces of metals, optical spectra of solids, electronic structure of insulators and semiconductors, theory of magnetic metals, physics of surfaces, structures of metals, and molecular physics.

Cohen, M. H.↗
NASA NTRS1974

Approximate spin projection of three-component UHF wavefunctions - The states of the pentachlorocyclopentadienyl cation and the croconate dianion, C5O5/2-/

The approximate spin projection method of Amos et al. is extended to handle UHF wave functions having three significant components of differing multiplicity. An expression is given for the energy after single annihilation which differs from that of Amos and Hall. The new expression reproduces the results obtained from a previous exact calculation for which the weights and energies of the components are known. The extended approximate projection method is applied to the pi-electron UHF wave functions for the ground states of the pentachlorocyclopentadienyl cation and the croconate dianion, C5O5(2-). The results indicate a triplet ground state for the former and a singlet ground state for the latter, in agreement with experimental ESR susceptibility measurements for these molecular ions. C5C15(-) cannont be treated by restricted Hartree-Fock theory, due to its open-shell ground state. Incorrect results are obtained for the croconate dianion, if restricted Hartree-Fock theory and singly excited configuration interactions are utilized.

Phillips, D. H.↗