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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Free Volume Considerations in Thermoplastic and Thermosetting Resins

The direct measurement of physical aging and of the volume changes which go on during the course of this aging is discussed. Data on PMMA showing its physical aging as measured by its stress relaxation response and the accompanying volume changes are presented. An indication of how one can measure the free volume both directly from the volume change itself and relatively directly via a new technique is given. The application of this new technique (electron spin resonance spectroscopy) to other polymer systems is demonstrated.

Landel, R. F.↗
NASA NTRS1984

Theoretical research program to study transition metal trimers and embedded clusters

Small transition metal clusters were studied at a high level of approximation, including all the valence electrons in the calculation and extensive electron correlation, in order to understand the electronic structure of these small metal clusters. By comparison of dimers, trimers, and possibly higher clusters, the information obtained was used to provide insights into the electronic structure of bulk transition metals. Small metal clusters are currently of considerable experimental interest and some information is becomming available both from matrix electron spin resonance studies and from gas phase spectroscopy. Collaboration between theorists and experimentalists is thus expected to be especially profitable at this time since there is some experimental information which can serve to guide the theoretical work.

Walch, S. P.↗
NASA NTRS1985

The chemistry of Li/SOCl2 cells - An ESR study of carbon electrodes

Carbon electrodes from Li/SOCl2 cells were studied by electron spin resonance after various stages of discharge. Different behavior was observed in the temperature-dependent part of the ESR linewidth, defined as 'intrinsic linewidth', Delta H(int), when two different electrolytes were used. With one electrolyte, 1.5M LiAlCl4/SoCl2, the Delta H(int) value stayed constant or slightly decreased whereas with another electrolyte, 1.0M LiAlCl4/14 percent BrClin SOCl2, the value increased as discharge progressed. The carbon electrodes are modified differently during discharge with these two electrolytes, and it is speculated that this may be due to changes in the carbon matrix functional groups. This difference in the carbon electrodes may explain the claimed differences in safety performance of the cells.

Kim, S. S.↗
NASA NTRS1985

Mechanistic studies related to the safety of Li/SOCl2 cells

Mechanistic studies of the reactions in Li-SOCl2 cells have been undertaken to improve understanding of the safety problems of these cells. The electrochemical reduction of 1.5M LiAlCl4/SOCl2 has been investigated using gas chromatography, electron spin resonance spectroscopy, and infrared spectroscopy. Cl2 and S2Cl2 have been identified as intermediates in the reduction of SOCl2, along with a radical species (g/xx/ = 2.004, g/yy/ = 2.016, g/zz/ = 2.008) and the proposed triplet ground-state dimer of this radical. SO2 and sulfur have been identified as products. Based upon these findings, a mechanism for the electrochemical reduction of 1.5M LiAlCl4/SOCl2 has been proposed, and its implications for safety of Li-SOCl2 cells during discharge to +0.5V at 25-30 C are discussed.

Carter, B. J.↗
NASA NTRS1985

Iron impurities in Si3N4 processing

The atomic environment of iron impurities is investigated during the processing cycle of reaction-bonding silicon nitride (RBSN). Several analysis techniques are utilized, including X-ray photoelectron spectroscopy (XPS), extended X-ray absorption fine structure (EXAFS), and electron spin resonance (ESR), to examine iron impurities in the starting silicon powder, in sintered silicon compacts, and in RBSN materials. Results indicate that iron impurities in as-received metallurgical grade silicon powder are incorporated in the silicon bulk as a highly distorted FeSi2 compound. No surface iron or iron-based particulate is observed in the starting material. Upon sintering, the iron environment becomes an ordered FeSi2 structure. In the RBNS material, the FeSi2 structure is again distorted, as observed by both EXAFS and ESR.

Bouldin, C. E.↗
NASA NTRS1985

Photothermal degradation studies

Key reaction intermediates of photooxidation identified and characterized by laser flash Electron Spin Resonance (ESR) spectroscopy were discussed. Effects of temperature and ultraviolet intensity were studied in order to develop meaningful accelerated testing procedures for encapsulant evaluation. In a program to study the failure of Tedlar/ethylene vinyl acetate (EVA)/stainless steel modules, failure modes similar to those observed outdoors in real-time conditions were simulated in accelerated testing. An experimental technique was developed to quantitatively assess the extent of degradation.

Liang, R. H.↗
NASA NTRS1987

ESR Analysis of Polymer Photo-Oxidation

Electron-spin resonance identifies polymer-degradation reactions and their kinetics. New technique enables derivation of kinetic model of specific chemical reactions involved in degradation of particular polymer. Detailed information provided by new method enables prediction of aging characteristics long before manifestation of macroscopic mechanical properties.

Kim, Soon Sam↗
NASA NTRS1988

Ti(3+) in meteoritic and synthetic hibonite

This paper describes the first direct determination (performed by electron spin resonance spectroscopy) of Ti(3+) in hibonite from inclusion SH-7 of the Murchison C2 chondrite and in synthetic hibonites of four compositions, three of which corresponded to the compositions of blue hibonites and one to that of an orange hibonite. The Ti(3+) concentration in the hibonite from SH-7 was found to range from 0.35 to 0.44 percent, while the Ti(3+) contents in three synthetic blue hibonites ranged from 0.02 to 0.64 percent. Orange hibonite contained no Ti(3+), supporting an earlier conclusion that the orange-to-blue transition is associated with the presence of Ti(3+). At constant temperature and oxygen fugacity, the Ti(3+)/Ti(4+) ratio in synthetic hibonites was found to increase with decreasing V, but was not strongly dependent on bulk Ti. Fe and Cr contents did not have a significant effect on the amount of Ti(3+).

Beckett, John R.↗
NASA NTRS1989

Measurement Of Molecular Mobilities Of Polymers

New molecular-probe technique used to measure molecular mobility of polymer. Method based on use of time-resolved electron-spin resonance (ESR) spectroscopy to monitor decay of transient nutation amplitudes from photoexcited triplet states of probe molecules with which polymer is doped. The higher molecular mobility of polymer matrix, the faster nutation amplitudes of the probe molecules decay.

Kim, Soon Sam↗
NASA NTRS1989

ESR Measurement Of Crystallinity In Semicrystalline Polymers

Photogenerated free radicals decay at different rates in crystalline and amorphous phases. Degree of crystallinity in polymer having both crystalline and amorphous phases measured indirectly by technique based in part on electron-spin-resonance (ESR) spectroscopy. Accuracy of crystallinity determined by new technique equals or exceeds similar determinations by differential scanning calorimetry, wide-angle x-ray scattering, or measurement of density.

Kim, Soon Sam↗
NASA NTRS1989

Accelerated Testing Of Photothermal Degradation Of Polymers

Electron-spin-resonance (ESR) spectroscopy and Arrhenius plots used to determine maximum safe temperature for accelerated testing of photothermal degradation of polymers. Aging accelerated by increasing illumination, temperature, or both. Results of aging tests at temperatures higher than those encountered in normal use valid as long as mechanism of degradation same throughout range of temperatures. Transition between different mechanisms at some temperature identified via transition between activation energies, manifesting itself as change in slope of Arrhenius plot at that temperature.

Kim, Soon Sam↗
NASA NTRS1988

Sample selection and preservation techniques for the Mars sample return mission

It is proposed that a miniaturized electron spin resonance (ESR) spectrometer be developed as an effective, nondestructivew sample selection and characterization instrument for the Mars Rover Sample Return mission. The ESR instrument can meet rover science payload requirements and yet has the capability and versatility to perform the following in situ Martian sample analyses: (1) detection of active oxygen species, and characterization of Martian surface chemistry and photocatalytic oxidation processes; (2) determination of paramagnetic Fe(3+) in clay silicate minerals, Mn(2+) in carbonates, and ferromagnetic centers of magnetite, maghemite and hematite; (3) search for organic compounds in the form of free radicals in subsoil, and detection of Martian fossil organic matter likely to be associated with carbonate and other sedimentary deposits. The proposed instrument is further detailed.

Tsay, Fun-Dow↗
NASA NTRS1991

A theoretical study of the low-lying states of Ti2 and Zr2

The low-lying states of Ti2 and the valence isoelectronic Zr2 are examined theoretically by means of a multireference configuration-interaction (MRCI) method. MRCI calculations demonstrate that two of the Zr2 states are very low-lying and that the resulting vertical excitation is consistent with the optical spectrum of Zr2. The ground state is predicted for Ti2 on the basis of valence correlation with the MRCI method and the average coupled-pair functional technique. Calculations of the inner-shell correlation effects are estimated and found to lower the 3Delta g state to a ground state, and another to a very low-lying state. The ground state of Ti2 is assigned to 3Delta g since it is lower than the other state at all levels of correlation and is derived from the same atomic asymptote. This conclusion is supported by the lack of an electron-spin resonance signal but contradicts the absence of subcomponents on the Raman spectral lines.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1991

Heteronuclear transition metal diatomics - The bonding and electronic structure of ScNi, YNi, ScPd, and YPd

High quality ab initio calculations show that ScNi, YNi, ScPd, and YPd all have 2Sigma(+) ground states in agreement with electron spin resonance experiments. For ScNi and YNi, this is expected based on the lowest atomic asymptote. For ScPd and YPd, the lowest atomic asymptote would give the order of stability 2Delta greater than 2Pi equal to about 2Sigma(+), but the calculations show that mixing in of the excited asymptotes preferentially lowers the 2Sigma(+) state. The calculations show that the quartet states are about 20-30 kcal/mol above the ground state, and therefore probably do not contribute significantly to the unexpected g(vertical) values found in experiment. Calculations of excited states for YPd reveal some strong transitions that should be amenable to spectroscopic studies.

Faegri, Knut, Jr.↗
NASA NTRS1992

Theoretical study of the 2A2-2B2 separation of the alkali superoxides

The computed 2A2-2B2 separations of the alkali superoxides are in good agreement with those deduced from electron-spin resonance spectra. The calculations definitively show that the ground state of CsO2 is 2A2. The larger than expected separation for CsO2, based on the trend from LiO2 to RbO2, is attributed primarily to the differential effects of core relaxation. The CsO2 dissociation energy is computed to be 42.7 kcal/mol, with an uncertainty conservatively estimated as +/- 4 kcal/mol.

Bauschlicher, Charles W., Jr.↗
NASA NTRS2003

Laboratory Simulation of Space Weathering: ESR Measurements of Nanophase Metallic Iron in Laser-irradiated Olivine and Pyroxene Samples

S-type asteroids are believed to be parent bodies of ordinary chondrites. Although both S-type asteroids and ordinary chondrites contain the same mineral assemblage, mainly olivine and pyroxene, the reflectance spectra of the asteroids exhibit more overall depletion (darkening) and reddening, and more weakening of absorption bands relative to the meteorites. This spectral mismatch is explained by space weathering process, where high-velocity dust particle impacts should change the optical properties of the uppermost regolith surface of asteroids. In order to simulate the space weathering, we irradiated nanosecond pulse laser beam onto pellet samples of olivine (8.97wt% FeO) and pyroxene (enstatite: 9.88wt% FeO, hypersthene: 16.70wt%). We got spectral changes in our samples similar to that by space weathering on asteroids and confirmed nanophase alpha-metallic iron particles, which were theoretically predicted, not only on olivine but also on pyroxene samples by Transmission Electron Microscopy (TEM). Nanophase metallic iron particles were widely scattered throughout the amorphous rims developed along the olivine grains, whereas they were embedded in aggregates of amorphous in enstatite samples. Recently, we also measured laser-irradiated samples by ESR (Electron Spin Resonance). Strong ESR signals, characteristic to nanophase iron particles, are observed on irradiated olivine samples. In this paper, we report the quantities of nanophase metallic iron particles in pyroxene samples by ESR observations in addition to olivine samples.

Kurahashi, E.↗
NASA NTRS2003

Role of xanthine oxidoreductase and NAD(P)H oxidase in endothelial superoxide production in response to oscillatory shear stress

Oscillatory shear stress occurs at sites of the circulation that are vulnerable to atherosclerosis. Because oxidative stress contributes to atherosclerosis, we sought to determine whether oscillatory shear stress increases endothelial production of reactive oxygen species and to define the enzymes responsible for this phenomenon. Bovine aortic endothelial cells were exposed to static, laminar (15 dyn/cm2), and oscillatory shear stress (+/-15 dyn/cm2). Oscillatory shear increased superoxide (O2.-) production by more than threefold over static and laminar conditions as detected using electron spin resonance (ESR). This increase in O2*- was inhibited by oxypurinol and culture of endothelial cells with tungsten but not by inhibitors of other enzymatic sources. Oxypurinol also prevented H2O2 production in response to oscillatory shear stress as measured by dichlorofluorescin diacetate and Amplex Red fluorescence. Xanthine-dependent O2*- production was increased in homogenates of endothelial cells exposed to oscillatory shear stress. This was associated with decreased xanthine dehydrogenase (XDH) protein levels and enzymatic activity resulting in an elevated ratio of xanthine oxidase (XO) to XDH. We also studied endothelial cells lacking the p47phox subunit of the NAD(P)H oxidase. These cells exhibited dramatically depressed O2*- production and had minimal XO protein and activity. Transfection of these cells with p47phox restored XO protein levels. Finally, in bovine aortic endothelial cells, prolonged inhibition of the NAD(P)H oxidase with apocynin decreased XO protein levels and prevented endothelial cell stimulation of O2*- production in response to oscillatory shear stress. These data suggest that the NAD(P)H oxidase maintains endothelial cell XO levels and that XO is responsible for increased reactive oxygen species production in response to oscillatory shear stress.

NASA Discipline Cell Biology↗
NASA NTRS1987

Proton gradients in intact cyanobacteria

The internal pH values of two unicellular cyanobacterial strains were determined with electron spin resonance probes, over an external pH range of 6 to 9, in the light and in the dark. The slow growing, thylakoid-lacking Gloeobacter violaceus was found to have a low capacity for maintaining a constant internal pH. The distribution pattern of weak acid and amine nitroxide spin probes across the cell membranes of this organism, in the light and in the dark, was consistent with the assumption that it contains a single intracellular compartment. At an external pH of 7.0, intracellular pH was 6.8 in the dark and 7.2 in the light. The cells of Agmenellum quadruplicatum, a marine species, were found to contain two separate compartments; in the dark, the pH of the cytoplasmic and the intrathylakoid spaces were calculated to be 7.2 and 5.5, respectively. Upon illumination, the former increased and the latter decreased by about 0.5 pH units.

Non-NASA Center↗