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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Effect of an oxygen plasma on the physical and chemical properties of several fluids for the liquid droplet radiator

The Liquid Droplet Radiator is one of several radiator systems currently under investigation by NASA Lewis Research Center. It involves the direct exposure of the radiator working fluid to the space environment. An area of concern is the potential harmful effects of the low-Earth-orbit atomic oxygen environment on the radiator working fluid. To address this issue, seven candidate fluids were exposed to an oxygen plasma environment in a laboratory plasma asher. The fluids studied included Dow Corning 705 Diffusion Pump Fluid, polymethylphenylsiloxane and polydimethlsiloxane, both of which are experimental fluids made by Dow Corning, Fomblin Z25, made by Montedison, and three fluids from the Krytox family of fluids, Krytox 143AB, 1502, and 16256, which are made by DuPont. The fluids were characterized by noting changes in visual appearance, physical state, mass, and infrared spectra. Of the fluids tested, the Fomblin and the three Krytoxes were the least affected by the oxygen plasma. The only effect noted was a change in mass, which was most likely due to an oxygen-catalyzed deploymerization of the fluid molecule.

Gulino, D. A.↗
NASA NTRS1986

Analytic evaluation of two-center molecular integrals

By using the Fourier-transform technique, the explicit expressions for the one-electron - two-center overlap integrals of Slater-type atomic orbitals up to 3d are derived. The final expressions are analytic, simple, and independent of local coordinates. Furthermore, they do not contain the nonclosed-form of exponential integrals which were presented in expressions given in earlier work. It is shown that the two-electron - two-center Coulomb integrals, as well as the hybrid integrals, can simply be expressed in terms of these integrals. The numerical instability arising from the situation in which the exponents of the two orbitals are almost equal is discussed, and a solution for this problem based on a Taylor-series expansion of the integral is suggested.

Tai, H.↗
NASA NTRS1987

Effect of an oxygen plasma on the physical and chemical properties of several fluids for the Liquid Droplet Radiator

The Liquid Droplet Radiator is one of several radiator systems currently under investigation by NASA Lewis Research Center. It involves the direct exposure of the radiator working fluid to the space environment. An area of concern is the potential harmful effects of the low-Earth-orbit atomic oxygen environment on the radiator working fluid. To address this issue, seven candidate fluids were exposed to an oxygen plasma environment in a laboratory plasma asher. The fluids studied included Dow Corning 705 Diffusion Pump Fluid, polymethylphenylsiloxane and polydimethylsiloxane, both of which are experimental fluids made by Dow Corning, Fomblin Z25, made by Montedison, and three fluids from the Krytox family of fluids, Krytox 143AB, 1502, and 16256, which are made by DuPont. The fluids were characterized by noting changes in visual appearance, physical state, mass, and infrared spectra. Of the fluids tested, the Fomblin and the three Krytoxes were the least affected by the oxygen plasma. The only effect noted was a change in mass, which was most likely due to an oxygen-catalyzed depolymerization of the fluid molecule.

Gulino, Daniel A.↗
NASA NTRS1989

Charge exchange transition probability for collisions between unlike ions and atoms within the adiabatic approximation

A simple formula for the transition probability for electron exchange between unlike ions and atoms is established within the adiabatic approximation by employing the Linear Combination of Atomic Orbitals (LCAO) method. The formula also involves an adiabatic parameter, introduced by Massey, and thus the difficulties arising from the internal energy defect and the adiabatic approximation are avoided. Specific reactions Li(+++) + H to Li(++) + H(+) and Be(4+) + H to Be(3+) + H(+) are considered as examples. The calculated capture cross section results of the present work are compared with the experimental data and with the calculation of other authors over the velocity range of 10(7) cm/sec to 10(8) cm/sec.

Xu, Y. J.↗
NASA NTRS1989

Results of protective coating studies for the Hubble Space Telescope solar array

An account is given of the methods, results, and interpretive conclusions obtained by a series of comprehensive performance verification/qualification tests conducted on candidate coatings for the Hubble Space Telescope's (HST) solar array. These coatings are intended to minimize the effects of orbital atomic oxygen impingement on exposed materials. Attention was given to atomic oxygen exposure, UV exposure, thermal cycling, and electron and proton exposure. The V-10 and CVI-1140-1 candidate coatings were demonstrated to be adequately resistant to a five-year HST mission's environmental exposure.

Linton, Roger C.↗
NASA NTRS1989

Photovoltaic array environmental protection program

During the photovoltaic array environmental protection program, a coating material, application technique, and design approach intended to protect flexible solar array blankets during a nominal fifteen-year operating lifetime were developed. Numerous thin-film coatings for protecting the Kapton polyimide material used in the construction of the Space Station Freedom flexible solar array blanket were evaluated. The critical solar array design features and protection measures are discussed with special emphasis on the effects of solar array fabrication and flexible printed circuit manufacturing processes on coating durability. The results of the mechanical and environmental test evaluation, including oxygen plasma, neutral oxygen beam, and UV/charged-particle combined exposure, are discussed. These results led to the selection of a silicon dioxide thin-film coating to protect the solar array blanket from the low-earth-orbit atomic oxygen environment.

Bilger, Kevin M.↗
NASA NTRS2001

Current Induced Forces on Adsorbates at Conducting Carbon Nanotubes

The problem addressed is force on an impurity due to electric current. In order to determine the size and direction of the force, as well as its dependence on the voltage, LCAO (Linear Combination of Atomic Orbitals) and the Green's Function approach were implemented. The resultant induced mean force was directed outwards in addition to a smaller component in the electron flow direction. At low bias, force is larger for larger radius, and crosses over the opposite trend when increasing the bias. The crossover current is approximately inversely proportional to the radius.

Mingo, N.↗
NASA NTRS2005

Applications of Quantum Chemistry to the Study of Carbon Nanotubes

For several years, scientists at NASA Ames have been studying the properties of carbon nanotubes using various experimental and computational methods. In this talk, I will compare different strategies for using quantum chemistry calculations to describe the electronic structure, deformation and chemical functionalization of single wall carbon nanotubes (SWNT) and the physisorption of small molecules on nanotube surfaces. The SWNT can be treated as an infinite (periodic) or finite length carbon cylinder or as a polycyclic aromatic hydrocarbon (PAH) molecule with an imposed curvature maintained by external constraints (as if it were cut out of the SWNT surface). Calculations are carried out using DFT and MP2 methods and a variety of atomic orbital basis sets from minimal (STO-3G) to valence triple zeta. The optimal approach is based on the particular SWNT property of interest. Examples to be discussed include: nanotube fluorination and other functionalization reactions; coating of nanotubes by water vapor and low-molecular weight organic molecules; and the nature of the interface between SWNT and liquids such as water and amines. In many cases, the quantum chemistry calculations are used to parameterize or validate force fields for molecular dynamics simulations. The results of these calculations have helped explain experimental data and contributed to the design of novel materials and sensors based on carbon nanotubes. Some of this research is described in the following papers:

Jaffe, Richard L.↗
NASA NTRS1996

Silicone Contamination Camera for Developed for Shuttle Payloads

On many shuttle missions, silicone contamination from unknown sources from within or external to the shuttle payload bay has been a chronic problem plaguing experiment payloads. There is currently a wide range of silicone usage on the shuttle. Silicones are used to coat the shuttle tiles to enhance their ability to shed rain, and over 100 kg of RTV 560 silicone is used to seal white tiles to the shuttle surfaces. Silicones are also used in electronic components, potting compounds, and thermal control blankets. Efforts to date to identify and eliminate the sources of silicone contamination have not been highly successful and have created much controversy. To identify the sources of silicone contamination on the space shuttle, the NASA Lewis Research Center developed a contamination camera. This specially designed pinhole camera utilizes low-Earth-orbit atomic oxygen to develop a picture that identifies sources of silicone contamination on shuttle-launched payloads. The volatile silicone species travel through the aperture of the pinhole camera, and since volatile silicone species lose their hydrocarbon functionalities under atomic oxygen attack, the silicone adheres to the substrate as SiO_x. This glassy deposit should be spatially arranged in the image of the sources of silicone contamination. To view the contamination image, one can use ultrasensitive thickness measurement techniques, such as scanning variable-angle ellipsometry, to map the surface topography of the camera's substrate. The demonstration of a functional contamination camera would resolve the controversial debate concerning the amount and location of contamination sources, would allow corrective actions to be taken, and would demonstrate a useful tool for contamination documentation on future shuttle payloads, with near negligible effect on cost and weight.

Source record↗
DOE OSTI2023

Muon-Catalyzed Fusion

Fusion holds great promise as a clean and abundant energy source. However, traditional thermonuclear fusion encounters significant challenges due to the extreme temperatures required to overcome the coulomb barrier for two nuclei to fuse. In contrast, muon-catalyzed fusion presents an alternative approach that can surmount this barrier at significantly lower temperatures. Muons, with properties resembling those of electrons but 200 times heavier, can effectively reduce the atomic orbital radius, enabling central nuclei to overcome the coulomb force through the strong force. By introducing muons into a mixture of deuterium and tritium (two hydrogen isotopes), fusion is facilitated, releasing a 3.5MeV alpha particle and a 14.1MeV neutron. In the majority of cases, the muon is liberated and can initiate further fusions. However, approximately 0.8% of the time, it adheres to the alpha particle and remains bound until it either decays or undergoes reactivation through collisional ionization. To maximize the number of fusions per muon, it is crucial to enhance the cycling rate and reactivation fraction. Theoretical predictions and experimental data both suggest that the sticking rate decreases with increasing density. However, there exists a discrepancy between experimental observations and theoretical estimations regarding the extent of this decrease. To address these disparities, this experiment aims to investigate the cycling rate and sticking fraction under higher temperatures and pressures than previously explored.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1991

Pinhole cameras as sensors for atomic oxygen in orbit; application to attitude determination of the LDEF

Images produced by pinhole cameras using film sensitive to atomic oxygen provide information on the ratio of spacecraft orbital velocity to the most probable thermal speed of oxygen atoms, provided the spacecraft orientation is maintained stable relative to the orbital direction. Alternatively, as it is described, information on the spacecraft attitude relative to the orbital velocity can be obtained, provided that corrections are properly made for thermal spreading and a co-rotating atmosphere. The LDEF orientation, uncorrected for a co-rotating atmosphere, was determined to be yawed 8.0 minus/plus 0.4 deg from its nominal attitude, with an estimated minus/plus 0.35 deg oscillation in yaw. The integrated effect of inclined orbit and co-rotating atmosphere produces an apparent oscillation in the observed yaw direction, suggesting that the LDEF attitude measurement will indicate even better stability when corrected for a co-rotating atmosphere. The measured thermal spreading is consistent with major exposure occurring during high solar activity, which occurred late during the LDEF mission.

Peters, Palmer N.↗
NASA NTRS1992

Pinhole cameras as sensors for atomic oxygen in orbit: Application to attitude determination of the LDEF

Images produced by pinhole cameras using film sensitive to atomic oxygen provide information on the ratio of spacecraft orbital velocity to the most probable thermal speed of oxygen atoms, provided the spacecraft orientation is maintained stable relative to the orbital direction. Alternatively, information on the spacecraft attitude relative to the orbital velocity can be obtained, provided that corrections are properly made for thermal spreading and a corotating atmosphere. The Long Duration Exposure Facility (LDEF) orientation, uncorrected for a corotating atmosphere, was determined to be yawed 8.0 +/- 0.4 degrees from its nominal attitude, with an estimated +/- 0.35 degree oscillation in yaw. The integrated effect of inclined orbit and corotating atmosphere produces an apparent oscillation in the observed yaw direction, suggesting that the LDEF attitude measurement will indicate even better stability when corrected for a corotating atmosphere. The measured thermal spreading is consistent with major exposure occurring during high solar activity, which occurred late during the LDEF mission.

Peters, Palmer N.↗
NASA NTRS1988

Atomic oxygen effects on candidate coatings for long-term spacecraft in low earth orbit

Candidate atomic oxygen protective coatings for long-term low Earth orbit (LEO) spacecraft were evaluated using the Los Alamos National Laboratory O-atom exposure facility. The coatings studied include Teflon, Al2O3, SiO2, and SWS-V-10, a silicon material. Preliminary results indicate that sputtered PTFE Teflon (0.1 micrometers) has a fluence lifetime of 10 to the 19th power O-atoms/cm (2), and sputtered silicon dioxide (0.1 micrometers), aluminum oxide (0.1 micrometers), and SWS-V-10, a silicone, (4 micrometers) have fluence lifetimes of 10 to the 20th power to 10 to the 21st power O-atoms/cm (2). There are large variations in fluence lifetime data for these coatings.

Lan, E. H.↗
DOE OSTI2023

Downward quantum learning from element 118: Automated generation of Fermi–Löwdin orbitals for all atoms

A new algorithm based on a rigorous theorem and quantum data computationally mined from element 118 guarantees automated construction of initial Fermi–Löwdin-Orbital (FLO) starting points for all elements in the Periodic Table. It defines a means for constructing a small library of scalable FLOs for universal use in molecular and solid-state calculations. The method can be systematically improved for greater efficiency and for applications to excited states such as x-ray excitations and optically silent excitations. FLOs were introduced to recast the Perdew–Zunger self-interaction correction (PZSIC) into an explicit unitarily invariant form. The FLOs are generated from a set of N quasi-classical electron positions, referred to as Fermi-Orbital descriptors (FODs), and a set of N-orthonormal single-electron orbitals. FOD positions, when optimized, minimize the PZSIC total energy. However, creating sets of starting FODs that lead to a positive definite Fermi orbital overlap matrix has proven to be challenging for systems composed of open-shell atoms and ions. The proof herein guarantees the existence of a FLOSIC solution and further guarantees that if a solution for N electrons is found, it can be used to generate a minimum of N – 1 and a maximum of 2 N – 2 initial starting points for systems composed of a smaller number of electrons. As a result, applications to heavy and super-heavy atoms are presented. All starting solutions reported here were obtained from a solution for element 118, Oganesson.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Ferromagnetic Atomic d ‐ p Orbital Hybridization for Promoting Al‐S Batteries

Rechargeable aluminum‐sulfur batteries (Al‐S) are emerging as a promising alternative energy storage system beyond lithium‐ion batteries due to their high energy density, abundant material resources, and economic efficiency. However, their practical application remains challenged by sluggish conversion kinetics, polysulfide shuttling, and low sulfur cathode utilization. While extensive studies have focused on enhancing polysulfide adsorption through catalytic strategies, the roles of electronic structure in dictating catalytic performance remain underexplored. Here, this work unveils the critical effect of unpaired electronic structure on the catalytic performance of single atom ferromagnetic transition metals through a systematic evaluation of three typical atomically dispersed ferromagnetic single atoms—Fe, Co, and Ni—supported on porous carbon (denoted as PC‐SAFAs). Comprehensive characterizations and density functional theory (DFT) calculations reveal that the PC‐SAFe catalysts, exhibiting the highest spin polarization arising from unpaired electrons, demonstrate the strongest interactions with polysulfide, thereby facilitating rapid and reversible polysulfide conversion reactions. Consequently, Al‐S batteries incorporating the optimized PC‐SAFe cathode achieve an impressive specific capacity of 508.8 mAh g −1 at 1.0 A g −1 after 500 cycles, along with much improved rate capability. In conclusion, this work provides a deeper understanding of the role of electronic structure in catalytic chemistry, and offers new insights for developing high‐performance Al‐S batteries.

36 MATERIALS SCIENCE↗
NASA NTRS2017

Marshall Engineering Thermosphere Model, Version MET-2007

The region of the Earth's atmosphere between about 90 and 500 km altitude is known as the thermosphere, while the region above about 500 km is known as the exosphere. For space vehicle operations, the neutral atmosphere in these regions is significant. Even at its low density, it produces torques and drags on vehicles and affects orbital lifetimes. The thermosphere density above 100 km altitude also modulates the flux of trapped radiation and orbital debris. Atomic oxygen at orbital altitudes is important because it can erode and chemically change exposed vehicle surfaces.

Suggs, R. J.↗
DOE OSTI2022

In-situ synthesized N-doped ZnO for enhanced CO 2 sensing: Experiments and DFT calculations

Chemiresistive CO 2 sensing is attractive due to low cost and ease of chip-level integration. Our previous studies (Yong Xia, 2021) showed the well-developed ZnO material fabricated by in-situ annealing exhibited good CO 2 sensing performance. Here, we have expanded on those studies, including CO 2 cyclic tests under both dry air and N 2 background whereby a much higher response to CO 2 in N 2 background was observed. In this study, detailed density functional theory calculations were conducted to understand the behavior. The results indicated nitrogen doping is mainly responsible for the observed response. In the presence of pre-adsorbed O 2 , N-doped ZnO can no longer interact with CO 2 , which agrees well with the observation of higher response in N 2 background. Furthermore, density of states analysis showed N sp 2 hybridized orbital and N 2p orbital of the N dopant mixed with sp 2 hybridized orbital of C atom and 2p orbitals of C/O atoms in CO 2 to form σ and π bonds, respectively. However, they mixed with O 2s/2p orbitals of O atom in O 2 when pre-adsorbed O 2 was present, hindering CO 2 interaction with N-doped ZnO, and resulting in limited response in air. The illustrated mechanism does not only further the understanding of metal oxide-based CO 2 sensing, but also guide the design of new functional materials for CO 2 sensing or capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗