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NASA NTRS1985

On the low-lying states of WO - A comparison with CrO and MoO

The four low-lying states of WO were investigated and compared with similar states of CrO and MoO. For all these systems the ground state is 5 Pi, but the ordering of the upper states is different between WO and either CrO or MoO. The difference in the state ordering arises in part from the fact that in WO all of the states are formed from W(+) in a d4S1 configuration, whereas in both CrO and MoO some states are formed from the d5 configuration and others from the d4S1 configuration.

Nelin, C. J.↗

NASA NTRS2001

A New Interpretation of the CrO-Photoelectron Detachment Experiment

CASSCF/MRCI calculations are performed on CrO(-) and CrO. The ground state of CrO(-) is identified as 4-II, not 6-Epsilon(+), as recently suggested. We assign the experimental detachment features to the seven one-electron processes arising from the two ion states.

Bauschlicher, Charles W., Jr.↗

NASA NTRS1985

Transition metal oxides - CrO, MoO, NiO, PdO, AgO

The transition-metal oxides are quite ionic; Mulliken population analyses for several oxides give a negative charge of about 0.7 electrons for oxygen. When the transition-metal d shell is only partially filled, the orbitals are involved in covalent bonds with O; both two-electron bonding (2)-antibonding (0) and one-electron bonding (2)-antibonding (1) bonds are formed. These covalent bonds occur in addition to the ionic bonding. There is d-sigma-O2 p sigma repulsion, and this repulsion is reduced when the d-sigma electron is promoted into an orbital which has dominantly 4sp-sigma character and is polarized away from O.

Bauschlicher, C. W., Jr.↗

NASA NTRS2006

The Columbia Debris Loan Program; Examples of Microscopic Analysis

Following the tragic loss of the Space Shuttle Columbia NASA formed The Columbia Recovery Office (CRO). The CRO was initially formed at the Johnson Space Center after the conclusion of recovery operations on May 1,2003 and then transferred .to the Kennedy Space Center on October 6,2003 and renamed The Columbia Recovery Office and Preservation. An integral part of the preservation project was the development of a process to loan Columbia debris to qualified researchers and technical educators. The purposes of this program include aiding in the advancement of advanced spacecraft design and flight safety development, the advancement of the study of hypersonic re-entry to enhance ground safety, to train and instruct accident investigators and to establish an enduring legacy for Space Shuttle Columbia and her crew. Along with a summary of the debris loan process examples of microscopic analysis of Columbia debris items will be presented. The first example will be from the reconstruction following the STS- 107 accident and how the Materials and Pro~es~steesa m used microscopic analysis to confirm the accident scenario. Additionally, three examples of microstructural results from the debris loan process from NASA internal, academia and private industry will be presented.

Russell, Rick↗

NASA NTRS2018

The Europa Lander Mission: A Space Exploration Challenge for Autonomous Operations

NASA has proposed a Europa Lander Mission, with a notional launch date in the 2024-2025 timeframe. Key features of the mission are: Take 5 samples from 10 cm under the Europa surface; Mission duration is expected to be 20 (Earth) days; Data will be telemetered data back to Earth via a dedicated Carrier Relay Orbiter (CRO) spacecraft. Some information about the Europa surface is available from Cassini, indicating the presence of mountains, ridges, and other complex features, and simulations of planet-wide lighting can be performed, but this information is available only at 6m per pixel resolution (Galileo imagery). While surface temperatures are exceedingly cold (average of 114 degrees Kelvin, or minus 160 degrees Centigrade at the equator), this need not translate to solid (and hard) ice. The possible presence of small grain features (snow-like), penitentes (inverse-icicles), plumes, and other complex terrain features, will complicate operations. The time delay for such a mission is 30-60 minutes. The CRO is in view of the Lander for roughly 8 hours, and is in view of Earth for roughly 10 hours, meaning significant autonomy will be needed. A compelling case can be made for the use of aggressive autonomous operations of the *entire* mission. In this talk we will describe the Europa mission and its objectives, as well as similar Icy Worlds missions of the future. We will then describe the autonomy challenges of such a mission, using examples of similar missions and specific autonomy technologies that have been used in the past to address these challenges. We will make the case that despite some technologies that may be suitable, Europa lander presents a unique, and unaddressed, challenge for autonomy.

Plan Execution↗

NASA NTRS1981

Franck-Condon factor formulae for astrophysical and other molecules

Simple closed-form, approximate, analytic expressions for Franck-Condon factors are given. They provide reliable estimates for Franck-Condon factor arrays for molecular band systems for which only vibrational-frequency, equilibrium internuclear separation and reduced mass values are known, as is often the case for astrophysically interesting molecules such as CeO, CoH, CrH, CrO, CuH, GeH, LaO, NiH, SnH, and ZnH for band systems of which Franck-Condon arrays have been calculated.

Nicholls, R. W.↗

NASA NTRS1984

A final report on the extension of the MCSCF/CI method

For the period of July 1982 through January 1983, the research carried out focused on the nature of metal adsorbate bonding. Two main areas were investigated in detail: (1) the adsorption of CO on Al, Na, Mg and Ni; and (2) bonding in transition metal oxides, CuO, CrO and MoO. These theoretical studies have lead to a new understanding of CO-metal bonding as well as to a better understanding of the d involvement in the bonding in transition metal oxides. Four areas associated with cluster model studies are discussed in detail: hybridization and changing in cluster model studies, the adsorption of CO on metals (Al, Na, Mg), the adsorption of CO on Ni, and finally the use of effective core potentials (ECP) in cluster models.

Nelin, C. J.↗

NASA NTRS1986

The importance of atomic and molecular correlation on the bonding in transition metal compounds

The determination of accurate spectroscopic parameters for molecular systems containing transition metal atoms is shown to require extensive data sets and a high level correlation treatment, and techniques and their limitations are considered. Extensive results reported on the transition metal atoms, hydrides, oxides, and dimers makes possible the design of a calculation to correctly describe the mixing of different atomic asymptotes, and to give a correct balance between molecular bonding and exchange interactions. Examples considered include the dipole moment of the 2Delta state of NiH, which can help determine the mixture of 3d(8)4s(2) and 3d(9)4s(1) in the NiH wavefunction, and the bonding in CrO, where an equivalent description of the relative energies associated with the Cr 3d-3d atomic exchange and the Cr-O bond is important.

Bauschlicher, Charles W., Jr.↗

NASA NTRS1989

The permanent electric dipole moment of chromium monoxide

The permanent electric dipole moments for the X 5Pi and B 5pi states of gas-phase CrO have been experimentally determined using the sub-Doppler optical technique of intermodulated fluorescence spectroscopy in conjunction with the Stark effect. The measured values are 3.88 + or - 0.13 and 4.1 + or - 1.8 D for the X and B states, respectively. The theoretical values determined for the X state using multireference CI iterative-natural-orbital and finite-field calculations are in excellent agreement with the experimental value.

Steimle, Timothy C.↗

NASA NTRS1992

The DSI small satellite launcher

A new launcher has been developed by DSI, that is compatible with the GAS canisters. It has the proven capability to deploy a satellite from an orbiting Shuttle that is 18 inches in diameter, 31 inches long, and weighing 190 pounds. These DSI Launchers were used aboard the Discovery (STS-39) in May 1991 as part of the Infrared Background Signature Survey (IBSS) to deploy three small satellites known as Chemical Release Observation (CRO) satellites A, B, and C. Because the satellites contained hazardous liquids (MMH, UDMH, and MON-10) and were launched from GAS Cylinders without motorized doors, the launchers were required to pass NASA Shuttle Payload safety and verification requirements. Some of the more interesting components of the design were the V-band retention and separation mechanism, the separation springs, and the launcher electronics which provided a properly inhibited release sequence operated through the Small Payload Accommodations Switch Panel (SPASP) on board the Orbiter. The original plan for this launcher was to use a motorized door. The launcher electronics, therefore has the capability to be modified to accommodate the door, if desired.

Nichols, S.↗

NASA NTRS2003

Using CASE to Adopt Organizational Learning at NASA

The research direction was articulated in a statement of work created in collaboration between two program colleagues, an outside researcher and an internal user. The researcher was to deliver an implemented CASE tool (CasewiseTM) that was to be used to serve non-traditional (i.e., not software development related) organizational purposes. The explicitly stated functions of the tool were the support of 1) ISO-9000 compliance in the documentation of processes and 2) the management of process improvement. The collaborative team consisted of the researcher (GT), a full-time accompanying student (CRO), and the user (JD). The team originally focused on populating the CASE repository for the purpose of solving the two primary objectives. Consistent with the action research approach, several additional user requirements emerged as the project evolved, needs became apparent in discussions about how the tool would be used to solve organizational problems. These deliverables were contained within the CASE repository: 1) the creation of a paradigm diagram 2) the creation of a context diagram 3) the creation of child diagrams 4) the generation of 73 issues relating to organizational change 5) a compendium of stakeholder interview transcripts All record keeping was done manually and then keyed into the CASE interface. An issue is the difference between an organization s current situation (action) and its collective ideals.

Templeton, Gary F.↗

NASA NTRS2012

Variability of Black Carbon Deposition to the East Antarctic Plateau, 1800-2000 AD

Refractory black carbon aerosols (rBC) from biomass burning and fossil fuel combustion are deposited to the Antarctic ice sheet and preserve a history of emissions and long-range transport from low- and mid-latitudes. Antarctic ice core rBC records may thus provide information with respect to past combustion aerosol emissions and atmospheric circulation. Here, we present six East Antarctic ice core records of rBC concentrations and fluxes covering the last two centuries with approximately annual resolution (cal. yr. 1800 to 2000). The ice cores were drilled in disparate regions of the high East Antarctic ice sheet, at different elevations and net snow accumulation rates. Annual rBC concentrations were log-normally distributed and geometric means of annual concentrations ranged from 0.10 to 0.18 m cro-g/kg. Average rBC fluxes were determined over the time periods 1800 to 2000 and 1963 to 2000 and ranged from 3.4 to 15.5 m /a and 3.6 to 21.8 micro-g/sq m/a, respectively. Geometric mean concentrations spanning 1800 to 2000 increased linearly with elevation at a rate of 0.025 micro-g/kg/500 m. Spectral analysis of the records revealed significant decadal-scale variability, which at several sites was comparable to decadal ENSO variability.

Bisiaux, M. M.↗

NASA NTRS1994

Removal of Residual Chromium from Aluminum Oxide by Containerless Liquid-phase Processing

Berneuil sapphire was purified of Cr 3+ by containerless melting and processing at ca. 2550 K in high purity argon, dry air and pure oxygen. Recovered material was examined by laser induced fluorescence and Raman spectroscopy. The Cr 3+ fluorescence intensity decreased in processed specimens at rates proportional to the chromium concentration and p(O 2 ) 0.21 . The initial chromium concentration was ca. 5 ppm and decreased by factors of ca. 50, 3000, and 2x10 5 after processing for 300 seconds in argon, air and oxygen, respectively. Evidence is presented that the Cr 3+ was removed predominantly as CrO 2 (g) and not by conversion to other oxidation states of chromium in the condensed phase. A comparison of the Raman peak shifts for as-received and processed samples indicates that considerable stress was retained during containerless solidification of the highly undercooled melts.

sapphire↗