Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “CI”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 343 records · Page 19

Geological and geochemical record of 3400-million-year-old terrestrial meteorite impacts

Beds of sand-sized spherules in the 3400-million-year-old Fig Tree Group, Barberton Greenstone belt, South Africa, formed by the fall of quenched liquid silicate droplets into a range of shallow- to deep-water depositional environments. The regional extent of the layers, their compositional complexity, and lack of included volcanic debris suggest that they are not products of volcanic activity. The layers are greatly enriched in iridium and other platinum group elements in roughly chondritic proportions. Geochemical modeling based on immobile element abundances suggests that the original average spherule composition can be approximated by a mixture of fractionated tholeiitic basalt, komatiite, and CI carbonaceous chondrite. The spherules are thought to be the products of large meteorite impacts on the Archean earth.

Lowe, Donald R.↗

The dissociation energy of N2

The requirements for very accurate ab initio quantum chemical prediction of dissociation energies are examined using a detailed investigation of the nitrogen molecule. Although agreement with experiment to within 1 kcal/mol is not achieved even with the most elaborate multireference CI (configuration interaction) wave functions and largest basis sets currently feasible, it is possible to obtain agreement to within about 2 kcal/mol, or 1 percent of the dissociation energy. At this level it is necessary to account for core-valence correlation effects and to include up to h-type functions in the basis. The effect of i-type functions, the use of different reference configuration spaces, and basis set superposition error were also investigated. After discussing these results, the remaining sources of error in our best calculations are examined.

Almloef, Jan↗

General contraction of Gaussian basis sets. Part 2: Atomic natural orbitals and the calculation of atomic and molecular properties

A recently proposed scheme for using natural orbitals from atomic configuration interaction (CI) wave functions as a basis set for linear combination of atomic orbitals (LCAO) calculations is extended for the calculation of molecular properties. For one-electron properties like multipole moments, which are determined largely by the outermost regions of the molecular wave function, it is necessary to increase the flexibility of the basis in these regions. This is most easily done by uncontracting the outmost Gaussian primitives, and/or by adding diffuse primitives. A similar approach can be employed for the calculation of polarizabilities. Properties which are not dominated by the long-range part of the wave function, such as spectroscopic constants or electric field gradients at the nucleus, can generally be treated satisfactorily with the original atomic natural orbital (ANO) sets.

Almloef, Jan↗

Identification of solar nebula condensates in interplanetary dust particles and unequilibrated ordinary chondrites

Orthopyroxene and olivine grains, low in FeO, but containing MnO contents up to 5 wt percent were found in interplanetary dust particles (IDP) collected in the stratosphere. The majority of olivines and pyroxenes in meteorites contain less than 0.5 wt percent MnO. Orthopyroxenes and olivines high in Mn and low in FeO have only been reported from a single coarse grained chondrule rim in the Allende meteorite and from a Tieschitz matrix augite grain. The bulk MnO contents of the extraterrestrial dust particles with high MnO olivines and pyroxenes are close to CI chondrite abundances. High MnO, low FeO olivines and orthopyroxenes were also found in the matrix of Semarkona, an unequilibrated ordinary chondrite. This may indicate a related origin for minerals in extraterrestrial dust particles and in the matrix of unequilibrated ordinary chondrites.

Kloeck, W.↗

The dissociation energy of He2(+)

Ab initio potential energy curves for He2(+) are computed using full CI wavefunctions in conjuction with large Gaussian and Slater basis sets. The computed curves yield rotational-vibrational transitions with errors of less than 1/cm. They also yield quasi-bound levels with energies and lifetimes in reasonable agreement with translational spectroscopy measurements. The best D(e) is estimated to be 2.470 eV. Green's function Monte Carlo calculations yield a very similar value, 2.466 + or - 0.005.

Bauschlicher, Charles W., Jr.↗

The dissociation energy of N2

The requirements for very accurate ab initio quantum chemical prediction of dissociation energies are examined using a detailed investigation of the nitrogen molecule. Although agreement with experiment to within 1 kcal/mol is not achieved even with the most elaborate multireference CI (configuration interaction) wave functions and largest basis sets currently feasible, it is possible to obtain agreement to within about 2 kcal/mol, or 1 percent of the dissociation energy. At this level it is necessary to account for core-valence correlation effects and to include up to h-type functions in the basis. The effect of i-type functions, the use of different reference configuration spaces, and basis set superposition error were also investigated. After discussing these results, the remaining sources of error in our best calculations are examined.

Almlof, Jan↗

Chemical characterization of a unique chondrite - Allan Hills 85085

Allan Hills 85085 is a new and very important addition to the growing list of unique carbonaceous chondrites because of its unique chemical and mineralogical properties. This chemical study provides more precise data on the major, minor, and trace element characteristics of ALH85085. ALH85085 has compositional, petrological, and isotopic affinities to AL Rais and Renazzo, and to Bencubbin-Weatherford. The similarities to Al Rais and Renazzo suggest similar formation locations and thermal processing, possibly in the vicinity of CI chondrites. Petrologic, compositional and isotopic studies indicate that the components that control the abundance of the various refractory and volatile elements were not allowed to equilibrate with the nebula as conditions changed, explaining the inconsistencies in the classification of these meteorites using known taxonomic parameters.

Gosselin, David C.↗

Phyllosilicates in the Mokoia CV carbonaceous chondrite - Evidence for aqueous alteration in an oxidizing environment

Most CV chondrites contain little if any phyllosilicate mineralization. A petrographic and transmission electron microscopy study of the Mokoia CV carbonaceous chondrite shows that the matrix, chondrules, aggregates, and inclusions all contain considerable amounts of phyllosilicates. The mineralogy and occurrence of phyllosilicates in Mokoia differ from those in the CI and CM chondrites. The differences suggests that aqueous alteration of the three meteorite groups probably occurred under a variety of conditions.

Tomeoka, Kazushige↗

Aqueous alteration in the Kaba CV3 carbonaceous chondrite

Results from TEM and SEM examinations of the Kaba CV3 carbonaceous chondrite are presented, showing that the chondrules and the matrix of Kaba have undergone pervasive low-temperature aqueous alteration, resulting in the formation of Fe-bearing saponite from glass and enstatite in chondrules, and from anhydrous silicates in matrix. The alteration products in Kaba were found to resemble those in other aqueously altered carbonaceous chondrites such as the Mokoia CV3 and in Orgueil CI chondrites and Y-82162 chondrites. However, Kaba lacks the abundant high-Al phyllosilicates, reported for CAIs from Mokoia, and the serpentine and ferrihydrite, found in Orgueil.

Keller, Lindsay P.↗

The interpretation of solar system abundances at the N = 50 neutron shell

New data on CI chondrite abundances demonstrate a high degree of smoothness for the A = 75 - 100 mass range for odd A nuclei, except a single element peak at K ascribable to the s-process peak for the N = 50 neutron shell. Literature estimates of s-process abundances, Ns, permit a smooth Ns curve to be drawn; however the resultant 'non-s' abundance curve (nominally r-process) does not show a peak analogous to peaks associated with the N = 82 or 126 shells. Assuming the systematics of the r-process even and odd A abundance peaks at the N = 82 and 126 shells apply to N = 50, the odd A r-process peak for N = 50 can be obtained, which in turn permits a new calculation of Ns for odd A.

Burnett, D. S.↗

PAH in the laboratory and interstellar space

The theory that polycyclic aromatic hydrocarbons (PAHs) are a constituent of the interstellar medium, and a source of the IR emission bands at 3.3, 6.2, 7.7, 8.6, and 11.3 microns is being studied using PAH containing acid insoluble residue of the Orgueil CI meteorite and coal tar. FTIR spectra of Orgueil PAH material that has undergone thermal treatment, and a solvent insoluble fraction of coal tar that has been exposed to hydrogen plasma are presented. The UV excided luminescence spectrum of a solvent soluble coal tar film is also shown. Comparison of the lab measurements with observations appears to support the interstellar PAH theory, and shows the process of dehydrogenation expected to take place in the interstellar medium.

Wdowiak, Thomas J.↗

Characterizing water/rock interaction in simulated comet nuclei via calorimetry: Tool for in-situ science, laboratory analysis, and sample preservation

Although results from the Giotto and Vega spacecraft flybys of comet P/Halley indicate a complex chemistry for both the ices and dust in the nucleus, carbonaceous chondrite meteorites are still regarded as useful analogs for the rocky components. Carbonaceous chondrites mixed with water enable simulation of water/rock interactions which may occur in cometary nuclei. Three general types of interactions can be expected between water and minerals at sub-freezing temperatures: heterogeneous nucleation of ice by insoluble minerals; adsorption of water vapor by hygroscopic phases; and freezing and melting point depression of liquid water sustained by soluble minerals. Two series of experiments were performed in a differential scanning calorimeter (DSC) with homogenized powders of the following whole-rock meteorites and comparison samples: Allende (CV3), Murchison (CM2), Orgueil (CI), Holbrook (L6), and Pasamonte (eucrite) meteorites as well as on peridotite (PCC-1, USGS), saponite (Sap-Ca-1, CMS), montmorillonite (STx-1, CMS), and serpentine (Franciscan Formation, California). Results are briefly discussed.

Allton, Judith H.↗

Automated thin-film analyses of hydrated interplanetary dust particles in the analytical electron microscope

A 200 keV electron microscope was used to obtain elemental analyses from over 4000 points on thin sections of eight 'layer silicate' class interplanetary dust particles (IDPs). Major and minor element abundances from a volume approaching that of a cylinder 50 nm in diameter were observed. Mineral phases and their relative abundances in the thin sections were identified and petrographic characteristics were determined. Three of the particles contained smectite (1.0-1.2 nm basal spacing) and two contained serpentine (0.7 nm basal spacing). The point count analyses and Mg-Si-Fe ternary diagrams show that one of the serpentine-containing IDPs is similar to CI and CM chondritic meteorites. The IDPs exhibit evidence of aqueous processing, but they have typically experienced only short range, submicrometer scale alteration. The IDPs may provide a broad sampling of the asteroid belt.

Germani, M. S.↗

Solar-wind krypton and solid/gas fractionation in the early solar nebula

The solar-system Kr abundance is calculated from solar-wind noble-gas ratios, determined previously by low-temperature oxidations of lunar ilmenite grains, normalized to Si by spacecraft solar-wind measurements. The estimated Kr-83 abundance of 4.1 + or - 1.5 per million Si atoms is within uncertainty of estimates assuming no fractionation, determined from CI-chondrite abundances of surrounding elements. This is significant because it is the first such constraint on solid/gas fractionation, though the large uncertainty only confines it to somewhat less than a factor of two.

Wiens, Roger C.↗

Clay minerals in primitive meteorites and interplanetary dust 1

Many meteorites and interplanetary dust particles (IDPs) with primitive compositions contain significant amounts of phyllosilicate minerals, which are generally interpreted as evidence of protoplanetary aqueous alteration at an early period of the solar system. These meteorites are chondrites (near solar composition) of the carbonaceous and ordinary varieties. The former are subdivided (according to bulk composition and petrology) into CI, CM, CV, CO, CR, and ungrouped classes. IDPs are extraterrestrial particulates, collected in stratosphere, which have chemical compositions indicative of a primitive origin; they are typically distinct from the primitive meteorites. Characterization of phyllosilicates in these materials is a high priority because of the important physico-chemical information they hold. The most common phyllosilicates present in chondritic extraterrestrial materials are serpentine-group minerals, smectites, and micas. We discuss these phyllosilicates and describe the interpretation of their occurrence in meteorites and IDPs and what this indicates about history of their parent bodies, which are probably the hydrous asteroids.

Zolensky, M. E.↗

Compositional studies of primitive asteroids

The aqueous alteration history in the solar system are studied through acquiring additional CCD reflectance spectra in the blue-UV through near-IR spectral region and analyzing these spectra for information about iron oxides in phyllosilicates identified in the CM and CI carbonaceous chondrites. Emphasis is on the main-belt and Cybele primitive asteroids, as these asteroids show spectral diversity and are also spectral analogues for known meteorite samples. The porphyrin bands found in organics near 0.4 micron is also sought.

Vilas, Faith↗

Volatiles in interplanetary dust particles and aerogels

Volatiles measured in 25 interplanetary dust particles (IDPs) are a mixture of both indigenous materials and contaminants associated with the collection and processing of the ODPs prior to analysis. Most IDPs have been collected in the stratosphere using a silicone oil/freon mixture (20:1 ratio) coated on collector plates. Studies have shown that silicone oil, freon and hexane residues remain with the ODPs, despite attempts to clean the IDPs. Analysis of the IDPs with the LMMS-technique produces spectra with a mixture of indigeneous and contaminants components. The contamination signal can be identified and removed; however, the contamination signal may obscure some of the indigeneous component's signal. Employing spectra stripping techniques, the indigenous volatile constituents associated with the IDPs can be identified. Volatiles are similar to those measured in CI or CM carbonaceous chondrites. Collection of IDPs in low-Earth orbit utilizing a Cosmic Dust Collection Facility attached to Space Station Freedom has been proposed. The low-density material aerogel has been proposed as a collection substrate for IDPs. Our studies have concentrated on identifying volatile contaminants that are associated with aerogel. We have found that solvents used for the preparation of aerogel remain in aerogel and methods must be developed for removing the entrapped solvents before aerogels can be used for an IDP collection substrate.

Gibson, E. K., Jr.↗

Noble metal abundances in an early Archean impact deposit

Detailed analyses are reported on the concentrations of the noble metals Pd, Os, Ir, Pt, and Au in an early Archean spherule bed (S4) of probably impact origin from the lower Fig Tree Group, Barberton Greenstone Belt, South Africa. Compared to other sedimentary deposits of known or suspected impact origin, some noble metals are present in exceptionally high concentrations. Noble metal abundances are fractionated relative to abundances in chondrites with ratios of Os/Ir, Pt/Ir, Pd/Ir, and Au/Ir at only 80, 80, 41, and 2 percent of these values on CI chondrites. Although an extraterrestrial source is favored for the noble metal enrichment, the most plausible cause of the fractionation is by regional hydrothermal/metasomatic alteration.

Kyte, Frank T.↗