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All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Ames S-32 O-16 O-18 Line List for High-Resolution Experimental IR Analysis

By comparing to the most recent experimental data and spectra of the SO2 628 ν1/ν3 bands (see Ulenikov et al., JQSRT 168 (2016) 29-39), this study illustrates the reliability and accuracy of the Ames-296K SO2 line list, which is accurate enough to facilitate such high-resolution spectroscopic analysis. The SO2 628 IR line list is computed on a recently improved potential energy surface (PES) refinement, denoted Ames-Pre2, and the published purely ab initio CCSD(T)/aug-cc-pVQZ dipole moment surface. Progress has been made in both energy level convergence and rovibrational quantum number assignments agreeing with laboratory analysis models. The accuracy of the computed 628 energy levels and line list is similar to what has been achieved and reported for SO2 626 and 646, i.e. 0.01-0.03 cm(exp −1) for bands up to 5500 cm(exp −1). During the comparison, we found some discrepancies in addition to overall good agreements. The three-IR-list based feature-by-feature analysis in a 0.25 cm(exp −1) spectral window clearly demonstrates the power of the current Ames line lists with new assignments, correction of some errors, and intensity contributions from varied sources including other isotopologues. We are inclined to attribute part of detected discrepancies to an incomplete experimental analysis and missing intensity in the model. With complete line position, intensity, and rovibrational quantum numbers determined at 296 K, spectroscopic analysis is significantly facilitated especially for a spectral range exhibiting such an unusually high density of lines. The computed 628 rovibrational levels and line list are accurate enough to provide alternatives for the missing bands or suspicious assignments, as well as helpful to identify these isotopologues in various celestial environments. The next step will be to revisit the SO2 828 and 646 spectral analyses.

Sulfur dioxide↗
NASA NTRS2017

Metastable Phase Relations in the System Ca(sub O)-Al2(sub O)3-MgO-TiO(sub 2): Applications to Ca- And Al-Rich Inclusions

Introduction: High temperature phases such as corundum, hibonite, grossite, and perovskite are among the earliest phases that condensed in the early solar nebula. Recent work has shown that defect-structured phases occur in some ultrarefractory inclusions as metastable, possibly more kinetically-favored alternatives to the thermodynamically predicted stable phase assemblages [1-4]. For example, Han et al. have shown that non-stoichiometry in hibonite is accommodated by extra "spinel" blocks in the structure instead of the equilibrium assemblages hibonite+corundum or hibonite+spinel. To explore these relations, we have conducted a series of experiments in the system CaO-Al2O3- MgO-TiO2. Here we discuss the compositions and mineralogy of the experimental samples and how they relate to phases in refractory inclusions with a focus on perovskite and spinel. Methods: For the series of annealing studies, a CaO-Al2O3 eutectic melt is allowed to react with a pure alumina crucible at 1,530degC for either 4 hours or 5 days, followed by quenching in air. Later experiments were similar except that additions of 5 wt% MgO, and CaTiO(sub 3) were used to explore the effect of minor elements on the phase assemblages. The experimental conditions resulted in reaction zones approximately 100-300 m wide consisting of a hibonite layer immediately adjacent to the corundum, followed by a grossite layer, and finally krotite with residual quenched melt. For the experiments with Mg, spinel is distributed in all layers but is mainly concentrated in the krotite layer. In the Ti-bearing experiments, perovskite precipitated in association with the krotite and residual melt. In addition to the experiments, we also analyzed perovskite grains in the FUN inclusion SHAL [5] and a large compact type A CAI from Allende. The experiments and refractory inclusions were analyzed using a JEOL 7600F SEM and quantitative analyses were obtained using the JEOL 8530F field-emission electron microprobe.

Keller, L. P.↗
NASA NTRS2006

Nitrile/Buna N Material Failure Assessment for an O-Ring used on the Gaseous Hydrogen Flow Control Valve (FCV) of the Space Shuttle Main Engine

After the rollout of Space Shuttle Discovery in April 2005 in preparation for return-to-flight, there was a failure of the Orbiter (OV-103) helium signature leak test in the gaseous hydrogen (GH2) system. Leakage was attributed to the Flow Control Valve (FCV) in Main Engine 3. The FCV determined to be the source of the leak for OV-103 is designated as LV-58. The nitrile/Buna N rubber O-ring seal was removed from LV-58, and failure analysis indicated radial cracks providing leak paths in one quadrant. Cracks were eventually found in 6 of 9 FCV O-rings among the three Shuttle Orbiters, though none were as severe as those for LV-58, OV-103. Testing by EM10 at MSFC on all 9 FCV O- rings included: laser dimensional, Shore A hardness and properties from a dynamic mechanical analyzer (DMA) and an Instron tensile machine. The following test data was obtained on the cracked quadrant of the LV-58, OV-103 O-ring: (1) the estimated compression set was only 9.5%, compared to none for the rest of the O-ring; (2) Shore A hardness for the O.D. was higher by almost 4 durometer points than for the rest of the O-ring; and (3) DMA data showed that the storage/elastic modulus E was almost 25% lower than for the rest of the O-ring. Of the 8 FCV O-rings tested on an Instron, 4 yielded tensile strengths that were below the MIL spec requirement of 1350 psi-a likely influence of rubber cracking. Comparisons were made between values of modulus determined by DNA (elastic) and Instron (Young s). Each nitrile/Buna N O-ring used in the FCV conforms to the MIL-P-25732C specification. A number of such O-rings taken from shelf storage at MSFC and Kennedy Space Center (KSC) were used to generate a reference curve of DMA glass transition temperature (Tg) vs. shelf storage time ranging from 8 to 26 years. A similar reference curve of TGA onset temperature (of rubber weight loss) vs. shelf storage time was also generated. The DMA and TGA data for the used FCV O-rings were compared to the reference curves. Correlations were also made between the DMA modulus (at 22 C) and Shore A hardness for all 9 of the FCV O-rings used among the three Shuttle Orbiters. The radial cracking in the FCV O-rings was determined to be due to ozone attack, as nitrile/Buna N rubber is susceptible to such attack. Nitrile/Buna N material under MIL-P25732C should be used in a hydraulic fluid environment to help protect it from cracking. However, the FCV O-rings were used in an air only environment. The FCV design has as much as a 9-mil gap that allows the O.D. of the O-ring to be directly exposed to ozone, pressurized air and some elevated temperatures, accelerating the weathering process that leads to O-ring cracking. Space Shuttle flights will likely not continue past 2010. Therefore, Shuttle management decided to continue using the nitrile/Buna N material for the FCVs, but have each O-ring replaced after 3 years to minimize any chances for crack initiation.

Wingard, Doug↗
NASA NTRS2024

Precipitation -17 O-Excess Altered During Tropical Convection: Evidence From Monsoon Cold Surges in Singapore

Despite the recent recognition of -17 O-excess as a promising new tracer for hydrological processes, our knowledge of the control mechanisms underlying -17 O-excess in tropical regions remains limited. To understand how microphysical processes during tropical convection affect precipitation isotope ratios, particularly -17 O-excess, in Singapore, we collected precipitation samples at minute intervals from six rain events associated with cold surges during the Northeast Monsoon seasons and analyzed their triple oxygen isotopes. Our results show that precipitation δ -18 O decreases in the convective zones and then gradually increases in the stratiform zones, while d-excess exhibits an inverse trend. This correlation between δ -18 O and d-excess indicates that rain evaporation plays a crucial role in regulating precipitation isotopes. Moreover, the rain events with a higher upstream rainout amount have lower δ -18 O and higher -17 O-excess values, suggesting that precipitation δ -18 O and -17 O-excess likely reflect the integrated upstream convective activity. Microphysical processes associated with upstream convection, such as rain evaporation and vapor recycling, are potential mechanisms that increase -17 O-excess values along moisture transport pathways for a rain event, and hence, undermine the effectiveness of -17 O-excess as a tracer of moisture source humidity. Contrary to the negative correlation observed in monthly precipitation, there is generally a positive correlation between d-excess and -17 O-excess at the event scale. However, this correlation weakens as convective rain intensifies, suggesting that stronger convection can attenuate the positive correlation between d-excess and -17 O-excess. Therefore, it is crucial to consider how tropical convection alters -17 O-excess when utilizing this tracer to interpret atmospheric dynamics and hydrological processes.

tropical weather systems↗
NASA NTRS2017

Impact of Substorm Time O+ Outflow on Ring Current Enhancement

Energetic O+ ions (tens of keV) rapidly increase in the inner magnetosphere and contribute significantly to the ring current during substorms. Previously, two source regions of the energetic O+ ions have been proposed. The first one is the dayside polar region. Ions from the dayside polar region are transported to the lobe; then they are injected to the nightside plasma sheet during substorm expansion phase. The second one is the nightside aurora region. After the substorm onset, energetic O+ ions are extracted from the ionosphere with the auroral acceleration processes, and the O+ ions are directly supplied to the nightside plasma sheet. We investigated the relative importance of these two regions on supplying the energetic O+ ions in the inner magnetosphere. We performed a test particle simulation in global MHD electromagnetic fields. We obtained the following results. (1) During the substorm growth phase, O+ ions at tens of eV are extracted from the dayside polar region, resulting in the enhancement of the warm O+ ions (hundreds of eV) in the lobe. After the substorm onset, the warm O+ ions are nonadiabatically accelerated to tens of keV and injected to the inner magnetosphere. These O+ ions contribute to most of the O+ ring current. (2) O+ ions at less than a few keVs are supplied from the nightside aurora region to the plasma sheet. However, their contribution to the O+ ring current remains small. From the results, we concluded that the main source of the energetic O+ ions is the dayside polar region.

outflow↗
NASA NTRS2003

The O+ Density Trough at 5000 km Altitude in the Polar Cap

At altitudes near 5000 km over the Southern polar cap region of the terrestrial magnetospherehonosphere, the Thermal Ion Dynamics Experiment (TIDE) onboard the Polar satellite has observed O+ ion density trough regions, in which the O+ densities were at least one order of magnitude lower than the surrounding O+ densities. In the O+ demify trough regions, the estimated O+ densities were generally lower than 0.01 per cc. The boundaries between normal density level regions and the trough density regions were usually abrupt transitions. From December 1, 1997 to November 30, 1998, polar cap O+ troughs in Polar/TIDE observations occurred at a frequency of about 48%. Statistical examination of the Polar perigee observations from December 1 , 1997 to November 30, 1998 shows that the Polar perigee passes evenly covered the southern polar cap region, while the O+ density trough was always located on the nightside portion of the polar cap magnetospherehonosphere, and that invariant latitude spans of such troughs could be as large as 230 in extent. The trough occurrence displayed strong seasonal dependence; in the winter season (e.g. for July in the southern hemisphere) the O+ ion density trough occurrence frequency ranged up to 92%, while in the summer season (e.g. for January in the southern hemisphere) it decreased to as infrequent as 15%. The O+ ion density trough occurrence appeared relatively independent of the geomagnetic Kp index, and IMF Bz, By conditions. However, as suggested by the seasonal dependence, the O+ ion density trough occurrence was strongly related to the solar zenith angle (SZA). In the SZA range 500 to 1250, the trough occurrence increased monotonically with SZA. Also, case-by-case examinations of near-simultaneous O+ densities and vertical velocities observed by the DMSP satellite group orbiting at 840 km altitude indicate that the O+ density troughs observed at 5000 km altitude exhibit moderate correlation or anti-correlation with topside ionosphere density or velocity features at 840 km altitude for approximately half of the near-conjunction cases examined.

Zeng, W.↗
NASA NTRS1983

O(1S) from dissociative recombination of O2(+) - Nonthermal line profile measurements from Dynamics Explorer

The measurements reported were made of the O(1S) emission line profile at 5577 A at high spectral resolution with the Fabry-Perot interferometer on the Dynamics Explorer spacecraft. It is found that the line profile has marked nonthermal characteristics in the nightglow. A simple collisional relaxation model is used to analyze the nighttime emission line profiles, measured in the equatorial region. The branching ratio is inferred for the dissociative recombination of O2(+) leading to O(1S). The result reveals that the O(1S) + O(1D) channel is favored over the O(1S). The result reveals that the O(1S) + O(1D) channel is favored over the O(1S) + O(3P) channel by a factor of 4; this does not agree with the ratio reported by Hernandez (1971). It is noted, however, that the result is consistent with the active channel for O(1S) production being via the 1Sigma u + repulsive state of O2, as suggested by the theoretical calculations of Guberman (1983). In addition, a value is obtained for the excitation exchange cross section for O(1S).

Killeen, T. L.↗
NASA NTRS2001

Large-Aperture [O I] 6300 A Photometry of Comet Hale-Bopp: Implications for the Photochemistry of OH

Large-aperture photometric observations of comet Hale-Bopp (C/1995 O1) in the forbidden red line of neutral oxygen ([O I] 6300 angstroms) with the 150 mm dual-etalon Fabry-Perot spectrometer that comprises the Wisconsin H-alpha Mapper and a 50 mm dual-etalon Fabry-Perot spectrometer at the McMath-Pierce main telescope from 1997 late February to mid April yield a total metastable O((sup 1)D) production rate of (2.3-5.9) x 10(exp 30)/s. Applying the standard H2O and OH photodissociation branching ratios, we derive a water production rate, Q(H2O), of (2.6-6.1) x 10(exp 31)/s, which disagrees with Q(H2O = 1x10(exp 31)/s determined by independent H2O, OH, and H measurements. Furthermore, our own [O I] 6300 observations of the inner coma (< 30,000 km) using the 3.5 m Wisconsin-Indiana-Yale-NOAO telescope Hydra and Densepak multi-object spectrographs yield Q(H2O) = 1 x 10(exp 31)/s. Using our [O I] 6300 data, which cover spatial scales ranging from 2,000 to 1x10(exp 6) km, and a complementary set of wide-field ground-based OH images, we can constrain the sources of the apparent excess O((sup 1)D) emission to the outer coma, where photodissociation of OH is assumed to be the dominant O((sup 1)D) production mechanism. From production rates of other oxygen-bearing volatiles (e.g., CO and CO2), we can account for at most 30% of the observed excess O((sup 1)D) emission. Since even less O((sup 1)D) should be coming from other sources (e.g., electron excitation of neutral O and distributed nonnuclear sources of H2O), we hypothesize that the bulk of the excess O((sup 1)D) is likely coming from photodissociating OH. Using the experimental OH photo-dissociation cross section of Nee and Lee at Ly-alpha as a guide in modifying the theoretical OH cross sections of van Dishoeck and Dalgarno, we can account for approximately 60% of the observed O((sup 1)D) excess without requiring major modifications to the other OH branching ratios or the total OH photodissociation lifetime.

Morgenthaler, Jeffrey P.↗
NASA NTRS2018

New O+CO2 Scattering Cross Sections and Their Impact on Photochemical Atmospheric Escape of Oxygen from Mars

Dissociative recombination of O2+ and CO2+ molecular ions in the upper atmosphere of Mars is a major source of suprathermal (hot) oxygen atoms. A significant fraction of hot O atoms are sufficiently fast to overcome Mars' gravitational potential and escape to space. This mechanism is known as photochemical escape (PE) and found to be one of the major escape mechanisms presently active on Mars. The Mars Atmosphere and Volatile Evolution Mission (MAVEN) can constrain the PE rate from measurements of electron temperature and density and ion temperature and density. Escape probabilities of hot O can then be constructed from in-situ neutral densities and escaping O flux loss due to collisions with atmospheric background gases. Due to CO2 abundance in the upper atmosphere, O+CO2 scattering is the most important sink of the escaping hot O flux that strongly affects estimates of total atomic oxygen escape rate obtained from MAVEN data, as outlined above. New O+CO2 elastic and inelastic cross sections were constructed from first principles for collision energies from 0.01-5 eV. O(3P)+CO2 collisions were described using new 4D electronic potential energy surfaces (PESs) for restricted geometries. Three lowest triplet states of CO2 were considered for symmetric, bending, and asymmetric vibrational modes. The cross sections were determined from close-coupling calculations performed on individual surfaces using vibrating rotor approximations for CO2 molecule. Differential and momentum transfer cross sections, of use in energy transfer atmospheric models, were also constructed. The obtained cross sections are in excellent agreement with published results. Our new elastic cross sections are significantly smaller than assumed in earlier atmospheric escape models, resulting in larger photochemical escape rate of O from Mars, as estimated from a 1D escape model. Our results agree well with estimated hot O flux (about 9 x 10(sup 25) s(sup -1)) derived from altitude profiles of 130.4 nm O emission measured up to ~4,000 km by the Imaging Ultraviolet Spectrograph on MAVEN orbiter.

Atmospheric↗
NASA NTRS2004

The O(+) Density Trough at 5000 km Altitude in the Polar Cap

At altitudes near 5000 km over the southern polar cap region of the terrestrial magnetosphere/ionosphere, the Thermal Ion Dynamics Experiment (TIDE) on board the Polar satellite has observed O(+) ion density trough regions, in which the densities were at least one order of magnitude lower than the surrounding O(+) densities. In the 0" density trough regions, the estimated O+ densities were generally lower than 0.01 per cc. The boundaries between normal density level regions and the trough density regions were usually abrupt transitions. From 1 December 1997 to 30 November 1998, polar cap O(+) troughs in Polar/TIDE observations occurred at a frequency of about 48%. Statistical examination of the Polar perigee observations from 1 December 1997 to 30 November 1998 shows that the Polar perigee passes evenly covered the southern polar cap region, while the O(+) density trough was always located on the nightside portion of the polar cap magnetosphere/ionosphere, and that invariant latitude spans of such troughs could be as large as 23 deg. in extent. The trough occurrence displayed a strong seasonal dependence; in the winter season (e.g., for July in the Southern Hemisphere) the O(+) ion density trough occurrence frequency ranged up to 92%, while in the summer season (e.g., for January in the Southern Hemisphere) it decreased to as low as 15%. Our statistical results show that the trough occurrence was generally anticorrelated with solar wind dynamic pressure in the solar wind dynamic pressure range 0.8 - 2.6 nanopascal. The O(+) ion density trough occurrence appeared relatively independent of the geomagnetic Kp index, IMF Bz, and By conditions. However, as suggested by the seasonal dependence, the O(+) ion density trough occurrence was strongly related to the solar zenith angle (SZA). In the SZA range 50 deg. to 125 deg., the trough occurrence increased monotonically with SZA. In addition, we sought to determine consistent density and velocity signatures at lower altitudes associated the O(+) ion density trough at 5000 km by examining the near-simultaneous O(+) densities and vertical velocities observed by the DMSP satellite group orbiting at 840 km altitude. However, consistent correlations between the dual altitudes were not reliably established from the present examinations.

Zeng, W.↗
NASA NTRS2007

Substitutional and Interstitial Diffusion in alpha2-Ti3Al(O)

The reaction between Al2O3 and alpha2-Ti3Al was studied with a series of Al2O3/alpha2-Ti3Al multiphase diffusion couples annealed at 900, 1000 and 1100 C. The diffusion-paths were found to strongly depend on alpha2- Ti3Al(O) composition. For alloys with low oxygen concentrations the reaction involved the reduction of Al2O3, the formation of a gamma-TiAl reaction-layer and diffusion of Al and O into the alpha2-Ti3Al substrate. Measured concentration profiles across the interaction-zone showed "up-hill" diffusion of O in alpha2-Ti3Al(O) indicating a significant thermodynamic interaction between O and Al, Ti or both. Diffusion coefficients for the interstitial O in alpha2-Ti3Al(O) were determined independently from the interdiffusion of Ti and Al on the substitutional lattice. Diffusion coefficients are reported for alpha2-Ti3Al(O) as well as gamma-TiAl. Interpretation of the results were aided with the subsequent measurement of the activities of Al, Ti and O in alpha 2-Ti3Al(O) by Knudsen effusion-cell mass spectrometry.

Copland, Evan↗