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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

A Coupled-Cluster Study of the Molecular Structure, Vibrational Spectrum, and Heats of Formation of XONO2 (X=H, F, Cl)

The equilibrium structures, harmonic vibrational frequencies, dipole moments, and IR intensities of nitric acid, fluorine nitrate, and chlorine nitrate have been investigated by using the singles and doubles coupled cluster method that also includes a perturbational estimate of the effects of connected triple excitations, CCSD(T). A standard triple-zeta double-polarized basis set was utilized. The equilibrium geometries and vibrational spectra of HONO2 and ClONO2 are shown to be in excellent agreement with the available experimental data. The ab initio vibrational spectrum of FONO2 is also shown to be in excellent agreement with experiment. Unlike the FOOF and FON molecules, but similar to the cis- and trans-FONO molecules, FONO2 is shown to possess normal bond distances. The bonding in FONO2 is shown to be more similar to that in ClONO2 than that in HONO2, although there are still significant differences, especially in the partial atomic charges as deduced from Mulliken populations. This causes FONO2 to possess almost no dipole moment, which is very different to both HONO2 and ClONO2. By using large atomic natural orbital basis sets, CCSD(T) energies are computed for four isodesmic reactions in order to determine an accurate heat of formation for FONO2. Our best estimate for DELTA H(raised circle) (sub f,298) is 3.1 plus or minus 2.0 kcal/mol, indicating that the F-ONO2 bond energy is 31.3 kcal/mol.

Lee, Timothy J.↗
NASA NTRS1995

The Low-Lying Electronic States of LiB

The spectroscopic constants for the triplet and singlet states of LiB below about 30 000/ cm are determined using an internally contracted multireference configuration interaction approach in conjunction with [6s 5p 3d 2f] atomic natural orbital basis sets. The ground state is (sup 3)Pi as found in previous work. No excited triplet states are found to be ideal for characterizing the ground state; the (1)(sup 3)Sigma(sup -) state has a transition energy that is too small for many experimental approaches and the (2)(sup 3)Pi and (3)(sup 3)Pi states have bond lengths that are significantly longer than the ground state, resulting in transition intensities that are spread out over many vibrational levels of the ground state.

Ricca, Alessandra↗
NASA NTRS1995

The low-lying electronic states of LiC

The spectroscopic constants for the doublet and quartet states of LiC below about 30,000/cm are determined using an internally contracted multireference configuration-interaction approach in conjunction with a [6s 5p 3d 2f] atomic natural orbital basis sets. All of the strongly bound states, X(sup 4)(SIGMA)(sup -),(1)(sup 2)(DELTA), (1)(sup 2)(SIGMA)(sup +), and (2)(sup 2) II, very ionic in character. The only bound-bound quartet transition in this energy range is (2)(sup 4)SIGMA(sup -) and Franck-Condon factors, Einstein A values, and lifetimes are reported for this transition.

Ricca, Alessandra↗
NASA NTRS2016

Preliminary Investigation of Onboard Orbit Determination Using Deep Space Atomic Clock Based Radio Tracking

The Deep Space Atomic Clock mission is developing a small, mercury ion atomic clock with Allan deviation of less than 1e-14 at one day (current estimates < 3e-15) for a yearlong space demonstration beginning late- 2016/early-2017. DSAC’s stability yields one-way radiometric data precision on par with current two-way data. Uplink one-way tracking with an appropriately configured radio enables the possibility of onboard, autonomous radio navigation. This study examines the modeling needed to efficiently process this data for an onboard implementation.

Ely, Todd A.↗
NASA NTRS1999

Consequences of Atomic Oxygen Interaction With Silicone and Silicone Contamination on Surfaces in Low Earth Orbit

The exposure of silicones to atomic oxygen in low Earth orbit causes oxidation of the surface, resulting in conversion of silicone to silica. This chemical conversion increases the elastic modulus of the surface and initiates the development of a tensile strain. Ultimately, with sufficient exposure, tensile strain leads to cracking of the surface enabling the underlying unexposed silicone to be converted to silica resulting in additional depth and extent of cracking. The use of silicone coatings for the protection of materials from atomic oxygen attack is limited because of the eventual exposure of underlying unprotected polymeric material due to deep tensile stress cracking of the oxidized silicone. The use of moderate to high volatility silicones in low Earth orbit has resulted in a silicone contamination arrival at surfaces which are simultaneously being bombarded with atomic oxygen, thus leading to conversion of the silicone contaminant to silica. As a result of these processes, a gradual accumulation of contamination occurs leading to deposits which at times have been up to several microns thick (as in the case of a Mir solar array after 10 years in space). The contamination species typically consist of silicon, oxygen and carbon. which in the synergistic environment of atomic oxygen and UV radiation leads to increased solar absorptance and reduced solar transmittance. A comparison of the results of atomic oxygen interaction with silicones and silicone contamination will be presented based on the LDEF, EOIM-111, Offeq-3 spacecraft and Mir solar array in-space results. The design of a contamination pin-hole camera space experiment which uses atomic oxygen to produce an image of the sources of silicone contamination will also be presented.

Banks, Bruce A.↗
NASA NTRS1982

Oxygen atom reaction with shuttle materials at orbital altitudes

Surfaces of materials used in the space shuttle orbiter payload bay and exposed during STS-1 through STS-3 were examined after flight. Paints and polymers, in particular Kapton used on the television camera thermal blanket, showed significant change. Generally, the change was a loss of surface gloss on the polymer with apparent aging on the paint surfaces. The Kapton surfaces showed the greatest change, and postflight analyses showed mass loss of 4.8 percent on STS-2 and 35 percent on STS-3 for most heavily affected surfaces. Strong shadow patterns were evident. The greatest mass loss was measured on surfaces which were exposed to solar radiation in conjunction with exposure in the vehicle velocity vector. A mechanism which involves the interaction of atomic oxygen with organic polymer surfaces is proposed. Atomic oxygen is the major ambient species at low orbital altitudes and presents a flux of 8 x 10 to the 14th power atoms/cu cm sec for reaction. Correlation of the expected mass loss based on ground-based oxygen atom/polymer reaction rates shows lower mass loss of the Kapton than measured. Consideration of solar heating effects on reaction rates as well as the high oxygen atom energy due to the orbiter's orbital velocity brings the predicted and measured mass loss in surprisingly good agreement. Flight sample surface morphology comparison with ground based Kapton/oxygen atom exposures provides additional support for the oxygen interaction mechanism.

Leger, L. J.↗
NASA NTRS2009

Atomic Oxygen Erosion Yield Prediction for Spacecraft Polymers in Low Earth Orbit

The ability to predict the atomic oxygen erosion yield of polymers based on their chemistry and physical properties has been only partially successful because of a lack of reliable low Earth orbit (LEO) erosion yield data. Unfortunately, many of the early experiments did not utilize dehydrated mass loss measurements for erosion yield determination, and the resulting mass loss due to atomic oxygen exposure may have been compromised because samples were often not in consistent states of dehydration during the pre-flight and post-flight mass measurements. This is a particular problem for short duration mission exposures or low erosion yield materials. However, as a result of the retrieval of the Polymer Erosion and Contamination Experiment (PEACE) flown as part of the Materials International Space Station Experiment 2 (MISSE 2), the erosion yields of 38 polymers and pyrolytic graphite were accurately measured. The experiment was exposed to the LEO environment for 3.95 years from August 16, 2001 to July 30, 2005 and was successfully retrieved during a space walk on July 30, 2005 during Discovery s STS-114 Return to Flight mission. The 40 different materials tested (including Kapton H fluence witness samples) were selected specifically to represent a variety of polymers used in space as well as a wide variety of polymer chemical structures. The MISSE 2 PEACE Polymers experiment used carefully dehydrated mass measurements, as well as accurate density measurements to obtain accurate erosion yield data for high-fluence (8.43 1021 atoms/sq cm). The resulting data was used to develop an erosion yield predictive tool with a correlation coefficient of 0.895 and uncertainty of +/-6.3 10(exp -25)cu cm/atom. The predictive tool utilizes the chemical structures and physical properties of polymers to predict in-space atomic oxygen erosion yields. A predictive tool concept (September 2009 version) is presented which represents an improvement over an earlier (December 2008) version.

Banks, Bruce A.↗
NASA NTRS1986

A measurement of the angular distribution of 5 eV atomic oxygen scattered off a solid surface in earth orbit

The angular distribution of 5 eV atomic oxygen scattered off a polished vitreous carbon surface was measured on a recent Space Shuttle flight. The experimental apparatus was of novel design, completely passive, and used thin silver films as the recording device for oxygen atoms. Most of the incident oxygen was contained in the reflected beam and remained in an active form and probably still atoms. Allowance was made for 12 percent loss of incident atoms which are converted to CO at the carbon surface. The scattered distribution which is wide lobular, peaking 15 deg in the forward direction, shows almost but not quite full accommodation.

Gregory, John C.↗
NASA NTRS2021

Coexisting Quantum Gases in Earth’s Orbit

Summary: Ultracold atomic gases provide a unique tool for exploring the quantum nature of matter and for probing the foundations of modern physics. Researchers with NASA’s Cold Atom Lab (CAL) have now simultaneously produced gases of two atomic species (rubidium and potassium) in a uniquely quantum (wave-like) phase of matter called a Bose-Einstein condensate (BEC) for the first time in space. CAL scientists are using the unique micro gravity environment onboard the International Space Station to study interactions, molecule formation, and the emergence of structure and complexity in these coexisting dual-species gases at unprecedented low temperatures, for long times in free fall, and specifically in the absence of the perturbing force of gravity.

quantum gases↗
NASA NTRS1983

Oxygen atom reaction with Shuttle materials at orbital altitudes - Data and experiment status

Significant surface characteristics changes have been noticed on materials that were exposed in the payload bay of the Space Shuttle Orbiter on the first four flights. The most notable change was mass loss of Kapton film used as a component of thermal blankets. This film exhibited as much as 35 percent mass loss on STS-3 and loss of material was noticed on all flights. Other changes consist of rapid aging of paints and oxidation of Torlon surfaces. A mechanism has been proposed for the effects described, which involves the interaction of these organic materials with atomic oxygen available at low earth orbital altitudes. Evidence derived from measurements made on Shuttle materials that supports this mechanism will be presented. Experiments planned for near-term Shuttle flights are being developed to obtain quantitative data on reaction rates.

Leger, L.↗
DOE OSTI2023

Spin–orbit coupling of electrons on separate lanthanide atoms of Pr 2 O 2 and its singly charged cation

Although it plays a critical role in the photophysics and catalysis of lanthanides, spin–orbit coupling of electrons on individual lanthanide atoms in small clusters is not well understood. The major objective of this work is to probe such coupling of the praseodymium (Pr) 4f and 6s electrons in Pr 2 O 2 and Pr 2 O 2 +. The approach combines mass-analyzed threshold ionization spectroscopy and spin–orbit multiconfiguration second-order quasi-degenerate perturbation theory. The energies of six ionization transitions are precisely measured; the adiabatic ionization energy of the neutral cluster is 38 045 (5) cm –1 . Most of the electronic states involved in these transitions are identified as spin–orbit coupled states consisting of two or more electron spins. The electron configurations of these states are 4f 4 6s 2 for the neutral cluster and 4 f 46 s for the singly charged cation, both in planar rhombus-type structures. Finally, the spin–orbit splitting due to the coupling of the electrons on the separate Pr atoms is on the order of hundreds of wavenumbers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Neutral atomic oxygen beam produced by ion charge exchange for Low Earth Orbital (LEO) simulation

A low energy neutral atomic oxygen beam system was designed and is currently being assembled at the Lewis Research Center. The system utilizes a 15 cm diameter Kaufman ion source to produce positive oxygen ions which are charge exchange neutralized to produce low energy (variable from 5 to 150 eV) oxygen atoms at a flux simulating real time low Earth orbital conditions. An electromagnet is used to direct only the singly charged oxygen ions from the ion source into the charge exchange cell. A retarding potential grid is used to slow down the oxygen ions to desired energies prior to their charge exchange. Cryogenically cooled diatomic oxygen gas in the charge exchange cell is then used to transfer charge to the oxygen ions to produce a neutral atomic oxygen beam. Remaining non-charge exchanged oxygen ions are then swept from the beam by electromagnetic or electrostatic deflection depending upon the desired experiment configuration. The resulting neutral oxygen beam of 5 to 10 cm in diameter impinges upon target materials within a sample holder fixture that can also provide for simultaneous heating and UV exposure during the atomic oxygen bombardment.

Banks, Bruce↗
NASA NTRS1989

Laboratory simulations of energetic atom interactions occurring in low earth orbit

The Space Shuttle flights provided the first significant data base on the environment experienced by a large space structure operating in LEO. A number of interesting and unanticipated effects were observed, including material erosion induced by ambient oxygen atoms, the visible Shuttle glow occurring above surfaces exposed to the ram flow, and large near-field perturbations and variability in the gaseous neutral and plasma environment about the Shuttle. This paper provides a brief overview of these observations and their phenomenological interpretation, and then discusses laboratory approaches to their investigation. The emphasis is on the state of the art in the development of energetic oxygen atoms sources and the variety of experiments presently being performed with such devices.

Caledonia, G. E.↗
NASA NTRS1993

Atomic oxygen interaction with spacecraft materials: Relationship between orbital and ground-based testing for materials certification

The effects of atomic oxygen on boron nitride (BN), silicon nitride (Si3N4), Intelsat 6 solar cell interconnects, organic polymers, and MoS2 and WS2 dry lubricant, were studied in Low Earth Orbit (LEO) flight experiments and in a ground based simulation facility. Both the inflight and ground based experiments employed in situ electrical resistance measurements to detect penetration of atomic oxygen through materials and Electron Spectroscopy for Chemical Analysis (ESCA) analysis to measure chemical composition changes. Results are given. The ground based results on the materials studied to date show good qualitative correlation with the LEO flight results, thus validating the simulation fidelity of the ground based facility in terms of reproducing LEO flight results. In addition it was demonstrated that ground based simulation is capable of performing more detailed experiments than orbital exposures can presently perform. This allows the development of a fundamental understanding of the mechanisms involved in the LEO environment degradation of materials.

Cross, Jon B.↗
NASA NTRS2002

Atomic Oxygen Protection of Materials in Low Earth Orbit

Spacecraft polymeric materials as well as polymer-matrix carbon-fiber composites can be significantly eroded as a result of exposure to atomic oxygen in low Earth orbit (LEO). Several new materials now exist, as well as modifications to conventionally used materials, that provide much more resistance to atomic oxygen attack than conventional hydrocarbon polymers. Protective coatings have also been developed which are resistant to atomic oxygen attack and provide protection of underlying materials. However, in actual spacecraft applications, the configuration, choice of materials, surface characteristics and functional requirements of quasi-durable materials or protective coatings can have great impact on the resulting performance and durability. Atomic oxygen degradation phenomena occurring on past and existing spacecraft will be presented. Issues and considerations involved in providing atomic oxygen protection for materials used on spacecraft in low Earth orbit will be addressed. Analysis of in-space results to determine the causes of successes and failures of atomic oxygen protective coatings is presented.

Banks, Bruce A.↗
NASA NTRS1992

Fast oxygen atom facility for studies related to low earth orbit activities

The operating principles and characteristics of an 8 km/s oxygen atom beam source are described. The source has been used for many applications relevant to low earth orbit (LEO) including both gas/surface and gas/gas interactions. Representative data from these activities are provided.

Caledonia, G. E.↗