Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “oxygen defects”

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 127 records · Page 7

Electron spin resonance of ultraviolet radiation induced defects in ZnO thermal control coating pigment.

Electron spin resonance measurements on variously treated zinc oxide powders reveal that the resonance signal at g = 1.956 is due to one electron trapped oxygen ion vacancy level, at a depth of (0.31 plus or minus 0.02) eV below the conduction band. The electrons at this level are delocalized. Schottky barrier influences nearly the entire bulk of the powder sample, and the bending of the bands caused by chemisorbed oxygen puts the vacancy level above the Fermi level almost through the entire bulk.

Mookherji, T.↗

Point defect formation in optical materials expos ed to the space environment

Point defect formation associated with early stages of optical damage was observed unexpectedly in two, and possibly three, different optical materials subjected to short-duration space exposure. Three calcium fluoride, two lithium fluoride, and three magnesium fluoride samples were flown on Space Shuttle flight STS-46 as part of the Evaluation of Oxygen Interactions with Materials - Third Phase experiment. One each of the calcium and magnesium fluoride samples was held at a fixed temperature of 60 C during the space exposure, while the temperatures of the other samples were allowed to vary with the ambient temperature of the shuttle cargo bay. Pre-flight and post-flight optical absorption measurements were performed on all of the samples. With the possible exception of the magnesium fluoride samples, every sample clearly showed the formation of F-centers in that section of the sample that was exposed to the low earth orbit environment. Solar vacuum ultraviolet radiation is the most probable primary cause of the defect formation; however, the resulting surface metallization may be synergistically altered by the atomic oxygen environment.

Allen, J. L.↗

Radiation damage and defect behavior in ion-implanted, lithium counterdoped silicon solar cells

Boron doped silicon n+p solar cells were counterdoped with lithium by ion implanation and the resultant n+p cells irradiated by 1 MeV electrons. The function of fluence and a Deep Level Transient Spectroscopy (DLTS) was studied to correlate defect behavior with cell performance. It was found that the lithium counterdoped cells exhibited significantly increased radiation resistance when compared to boron doped control cells. It is concluded that the annealing behavior is controlled by dissociation and recombination of defects. The DLTS studies show that counterdoping with lithium eliminates at least three deep level defects and results in three new defects. It is speculated that the increased radiation resistance of the counterdoped cells is due primarily to the interaction of lithium with oxygen, single vacancies and divacancies and that the lithium-oxygen interaction is the most effective in contributing to the increased radiation resistance.

Weinberg, I.↗

Radiation damage and defect behavior in ion-implanted, lithium counterdoped silicon solar cells

Boron doped silicon n+p solar cells were counterdoped with lithium by ion implantation and the resuitant n+p cells irradiated by 1 MeV electrons. The function of fluence and a Deep Level Transient Spectroscopy (DLTS) was studied to correlate defect behavior with cell performance. It was found that the lithium counterdoped cells exhibited significantly increased radiation resistance when compared to boron doped control cells. It is concluded that the annealing behavior is controlled by dissociation and recombination of defects. The DLTS studies show that counterdoping with lithium eliminates at least three deep level defects and results in three new defects. It is speculated that the increased radiation resistance of the counterdoped cells is due primarily to the interaction of lithium with oxygen, single vacanies and divacancies and that the lithium-oxygen interaction is the most effective in contributing to the increased radiation resistance.

Weinberg, I.↗

Solar Wind Implantation Into the Lunar Regolith: Monte Carlo Simulations of H Retention in a Surface With Defects and the H2 Exosphere

The solar wind implants protons into the top 20–30 nm of lunar regolith grains, and the implanted hydrogen will diffuse out of the regolith but also interact with oxygen in the regolith oxides. We apply a statistical approach to estimate the diffusion of hydrogen in the regolith hindered by forming temporary bonds with regolith oxygen atoms. A Monte Carlo simulation was used to track the temporal evolution of bound OH surface content and the H2 exosphere. The model results are consistent with the interpretation of the Chandrayaan‐1 M3 observations of infrared absorption spectra by surface hydroxyls as discussed in Li and Milliken (2017, https://doi.org/10.1126/sciadv.1701471). The model reproduced the latitudinal concentration of OH by using a Gaussian energy distribution of f(U(sub 0) = 0.5 eV, U(sub W) = 0.078–0.1 eV) to characterize the activation energy barrier to the diffusion of hydrogen in space weathered regolith. In addition, the model results of the exospheric content of H2 are consistent with observations by the Lyman Alpha Mapping Project on the Lunar Reconnaissance Orbiter. Therefore, we provide support for hydroxyl formation by chemically trapped solar wind protons.

Tucker, O. J.↗

Solar Wind Implantation Into the Lunar Regolith: Monte Carlo Simulations of H Retention in a Surface With Defects and the H2 Exosphere

The solar wind implants protons into the top 20–30 nm of lunar regolith grains, and the implanted hydrogen will diffuse out of the regolith but also interact with oxygen in the regolith oxides. We apply a statistical approach to estimate the diffusion of hydrogen in the regolith hindered by forming temporary bonds with regolith oxygen atoms. A Monte Carlo simulation was used to track the temporal evolution of bound OH surface content and the H2 exosphere. The model results are consistent with the interpretation of the Chandrayaan-1 M3 observations of infrared absorption spectra by surface hydroxyls as discussed in Li and Milliken (2017). Themodel reproduced the latitudinal concentration of OH by using a Gaussian energy distribution of f(U(o) = 0.5eV, U(w) = 0.078 – 0.1 eV) to characterize the activation energy barrier to the diffusion of hydrogen in space weathered regolith. In addition, the model results of the exospheric content of H2 are consistent with observations by the Lyman Alpha Mapping Project on the Lunar Reconnaissance Orbiter. Therefore, we provide support for hydroxyl formation by chemically trapped solar wind protons.

O. J. Tucker↗

Solar Wind Implantation Into the Lunar Regolith: Monte Carlo Simulations of H Retention in a Surface With Defects and the H2 Exosphere

The solar wind implants protons into the top 20–30 nm of lunar regolith grains, and the implanted hydrogen will diffuse out of the regolith but also interact with oxygen in the regolith oxides. We apply a statistical approach to estimate the diffusion of hydrogen in the regolith hindered by forming temporary bonds with regolith oxygen atoms. A Monte Carlo simulation was used to track the temporal evolution of bound OH surface content and the H2 exosphere. The model results are consistent with the interpretation of the Chandrayaan‐1 M3 observations of infrared absorption spectra by surface hydroxyls as discussed in Li and Milliken (2017, https://doi.org/10.1126/sciadv.1701471). The model reproduced the latitudinal concentration of OH by using a Gaussian energy distribution of f(U0 = 0.5 eV, UW = 0.078–0.1 eV) to characterize the activation energy barrier to the diffusion of hydrogen in space weathered regolith. In addition, the model results of the exospheric content of H2 are consistent with observations by the Lyman Alpha Mapping Project on the Lunar Reconnaissance Orbiter. Therefore, we provide support for hydroxyl formation by chemically trapped solar wind protons.

O J Tucker↗

Two-photon excitation cross-section in light and intermediate atoms

The method of explicit summation over the intermediate states is used along with LS coupling to derive an expression for two-photon absorption cross section in light and intermediate atoms in terms of integrals over radial wave functions. Two selection rules, one exact and one approximate, are also derived. In evaluating the radial integrals, for low-lying levels, the Hartree-Fock wave functions, and for high-lying levels, hydrogenic wave functions obtained by the quantum defect method are used. A relationship between the cross section and the oscillator strengths is derived. Cross sections due to selected transitions in nitrogen, oxygen, and chlorine are given. The expression for the cross section is useful in calculating the two-photon absorption in light and intermediate atoms.

Omidvar, K.↗

Rhenium-Oxygen Interactions at High Temperatures

The reaction of pure rhenium metal with dilute oxygen/argon mixtures was studied from 600 to 1400 C. Temperature, oxygen pressure, and flow rates were systematically varied to determine the rate-controlling steps. At lower temperatures the oxygen/rhenium chemical reaction is rate limiting; at higher temperatures gas-phase diffusion of oxygen through the static boundary layer is rate limiting. At all temperatures post-reaction microstructures indicate preferential attack along certain crystallographic planes and defects.

Jacobson, Nathan S.↗

Simulation of etch pit formation through active sites in carbon fiber micro-structures

Erosion of carbon due to oxidation does not occur uniformly but through localized etch pit formation as a result of active surface sites. In this work we demonstrate a newly developed capability to capture pitting of carbon fiber microstructures such as FiberForm, which is commonly used as the base material for NASA’s spacecraft ablative thermal protection systems (TPS). The simulations are performed at the meso-scale in order to capture the pit formation and growth using direct simulation Monte Carlo (DSMC), specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code. Legacy and latest models both assume uniform reactivity of carbon surface sites with oxygen even at the meso-scale level. However, in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale. The defective nature of these sites enhances their reactivity with atmospheric gases compared to the non-defective sites (2-3 orders of magnitude) and are termed as “active sites”. Thus, these sites tend to be the first to react and eventually get removed through the formation of gasses such as CO, CO2, and CN. Their removal results in all the neighboring atoms becoming defective, thus leading to chain reaction of localized carbon removal and formation of etch pits. Capturing the formation of pits during the ablation simulation of carbon micro-structures is critical to predicting their structural failure. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various reaction mechanisms such as adsorption, desorption, Eley-Rideal (ER) and Langmuir-Hinshelwood (LH) mechanisms. We have implemented the capability of a single surface having multiple site sets with different reactivities within this framework. We have used this feature to model the presence of active sites on carbon surfaces, whose reactivity is orders of magnitude higher than that of the passive sites due to the presence of defects. The active site fraction is a property of surface elements within SPARTA and is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we can capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗

Simulation of Etch Pit Formation in DSMC Through Active Sites in Carbon Fiber Micro-Structures

Erosion of carbon due to oxidation does not occur uniformly but through localized etch pit formation because of active surface sites. In this work we demonstrate a newly developed capability to capture pitting of carbon fiber microstructures such as FiberForm, which is commonly used as the base material for NASA’s spacecraft ablative thermal protection systems (TPS). The simulations are performed at the meso-scale in order to capture the pit formation and growth using direct simulation Monte Carlo (DSMC), specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code. Legacy and latest models both assume uniform reactivity of carbon surface sites with oxygen even at the meso-scale level. However, in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale. The defective nature of these sites enhances their reactivity with atmospheric gases compared to the non-defective sites (2-3 orders of magnitude) and are termed as “active sites”. Thus, these sites tend to be the first to react and eventually get removed through the formation of gases such as CO, CO2, and CN. Their removal results in all the neighboring atoms becoming defective, thus leading to chain reaction of localized carbon removal and formation of etch pits. Capturing the formation of pits during the ablation simulation of carbon micro-structures is critical to predicting their structural failure. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various detailed surface reaction mechanisms. We have implemented the capability of a single surface having multiple site sets with different reactivities within this framework. We have used this feature to model the presence of active sites on carbon surfaces, whose reactivity is orders of magnitude higher than that of the passive sites due to the presence of defects. The active site fraction is a property of surface elements within SPARTA and is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we can capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗

DSMC Simulation of Etch Pit Formation Through Active Sites in Carbon Fiber Micro-Structures

Erosion of carbon due to oxidation does not occur uniformly but through localized etch pit formation because of active surface sites. In this work we demonstrate a newly developed capability to capture pitting of carbon fiber microstructures such as FiberForm, which is commonly used as the base material for NASA’s spacecraft ablative thermal protection systems (TPS). The simulations are performed at the meso-scale in order to capture the pit formation and growth using direct simulation Monte Carlo (DSMC), specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code. Legacy and latest models both assume uniform reactivity of carbon surface sites with oxygen even at the meso-scale level. However, in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale. The defective nature of these sites enhances their reactivity with atmospheric gases compared to the non-defective sites (2-3 orders of magnitude) and are termed as “active sites”. Thus, these sites tend to be the first to react and eventually get removed through the formation of gases such as CO, CO2, and CN. Their removal results in all the neighboring atoms becoming defective, thus leading to chain reaction of localized carbon removal and formation of etch pits. Capturing the formation of pits during the ablation simulation of carbon micro-structures is critical to predicting their structural failure. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various detailed surface reaction mechanisms. We have implemented the capability of a single surface having multiple site sets with different reactivities within this framework. We have used this feature to model the presence of active sites on carbon surfaces, whose reactivity is orders of magnitude higher than that of the passive sites due to the presence of defects. The active site fraction is a property of surface elements within SPARTA and is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we can capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗

Oxygen and carbon in silicon

The properties of the early transistors were determined by the minority-carrier lifetime, as is the silicon photovoltaic solar cell. Most of the devices on the modern integrated circuits are majority carrier devices, in part to avoid this lifetime dependence. The micro-electronics industry typically starts with wafers with a minority-carrier lifetime of 1000 micro-seconds, but during device fabrication this lifetime is reduced to beflow 1 micro-second, in spite of extraordinary cleanliness and precautions. Process-induced defects (PID) include point defects, defect complexes, line defects, and bulk precipitates. One of the aspects that needs to be better understood is the nature of minority carrier recombination at line defects and at precipitates. Some of the PIDs are known to be related to the fast-diffusers of the iron-series transition elements. One of the common techniques of dealing with these elements is intrinsic gettering by the oxygen precipitates. But even in the gettered state, there may be a residual effect on the lifetime. Oxygen is an almost ubiquitous impurity in silicon and plays an important role in both integrated circuits and solar cells. The isolated oxygen interstitial is electrically inactive, but in its various aggregated forms it has a variety of electrical activities. The agglomeration and precipitation of oxygen, including impurity gettering and the complicating role of carbon, is discussed.

Corbett, J. W.↗

NASA research on refractory compounds.

The behavior and properties of the refractory carbides, nitrides, and borides are being investigated by NASA as part of its research aimed at developing superior heat resistant materials for aerospace applications. Fundamental studies on the electronic and defect structures of the carbides indicate that there is promise for improving the strength and ductility of these materials. Studies of the zirconium-carbon-oxygen system show that zirconium oxycarbides of different compositions and lattice parameters can be formed between 1500 and 1900 C and are stable below 1500 C. More applied studies show that hot working generally improves the microstructure and therefore the strength of TiC and NbC. Sintering studies on UN indicate that very high densities can be achieved. Hot pressing of cermets of HfN and HfC produces good mechanical properties for high temperature bearing applications.

Gangler, J. J.↗

JPL lithium doped solar cell development program

One of the most significant problems encountered in the use of silicon solar cells in space is the sensitivity of the device to electron and proton radiation exposure. The p-diffused-into-n-base solar cells were replaced with the more radiation tolerant n-diffused-into-p-base solar cells. Another advancement in achieving greater radiation tolerance was the discovery that the addition of lithium to n-base silicon resulted in what appeared to be annealing of radiation-induced defects. This phenomenon is being exploited to develop a high efficiency radiation resistant lithium-doped solar cell. Lithium-doped solar cells fabricated from oxygen-lean and oxygen-rich silicon were obtained with average initial efficiencies of 11.9% at air mass zero and 28 C, as compared to state-of-the-art n-p cells fabricated from 10 ohm cm silicon with average efficiencies of 11.3% under similar conditions. Lithium-doped cells demonstrated the ability to withstand three to five times the fluence of 1-MeV electrons before degrading to a power equivalent to state-of-the-art solar cells. The principal investigations are discussed with respect to fabrication of high efficiency radiation resistant lithium-doped cells, including starting material, p-n junction diffusion, lithium source introduction, and lithium diffusion.

Berman, P. A.↗

High quality flame deposited diamond films for infrared optical windows

The IR absorption in polycrystalline diamond films deposited in oxygen-acetylene flames is characterized using FTIR. The one-phonon absorption coefficient in the region from 7 to 12 microns that is related to extrinsic defects in the diamond films shows a strong dependence on the flame conditions as well as the substrate temperature. A high degree of diamond crystalline perfection, as judged from the undetectable one-phonon absorption, is achieved under the optimized deposition conditions for our flame setup. This is further supported by the sharp Raman peak at 1332/cm as well as the high purity in crystal orientation according to the X-ray diffraction pattern measured for the high quality diamond films.

Tzeng, Y.↗

Behavior of lithium in irradiated solar cells.

The current state of the art in radiation resistant lithium-doped silicon solar cells is reviewed. Fabrication techniques are reviewed. Characteristics of lithium-doped cells are discussed. Behavior of lithium-doped cells during 1 MeV electron irradiation are studied for various types of cells. Effects of variations in lithium and oxygen concentration are shown and discussed. Capacitance measurements at various voltages, frequencies and temperatures are used to detect charges in lithium donor concentration and the formation of defects during irradiation. Physical models to explain the observed effects are presented.

Carter, J. R., Jr.↗

Theoretical studies of important processes in planetary and comet atmospheres

This is the fifth semi-annual progress report describing research on dissociative recombination reactions in planetary and comet atmospheres. The Appendix has two papers that describe NASA supported research. Both papers have been recently accepted for publication. The first paper, 'The Generation of O(S-1) from the Dissociative Recombination of O2(+)', describes in detail the Multichannel Quantum Defect (MQDT) theory used for the calculation of dissociative recombination (DR) cross sections and rates. The application to the generation of the upper state of the atomic oxygen green line emission is of great importance to the modelling of planetary atmospheres. The second paper in the Appendix, 'Dissociative Recombination of the Ground State of N2(+)', applies the methods described in the first paper to N2(+). We find remarkable agreement with the prior microwave afterglow experiments for both the total recombination rate and for its electron temperature dependence. However, the results disagree with recent merged beams results which gave cross sections that are a factor of five below the microwave afterglow experiments and the current results. DR of N2(+) is an important mechanism for generating energetic N atoms which can escape the atmosphere of Mars. Currently we are also continuing additional work on the DR of O2(+) which is aimed at calculating both the total DR rate as a function of ion vibrational level and the rate for production of O(D-1).

Guberman, Steven L.↗