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All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

The relative importance of prebiotic synthesis on the Earth and input from comets and meteorites

The prebiotic synthesis of hydrogen cyanide and formaldehyde was studied by the action of electric discharges on various model primitive atmospheres containing CH4, CO, and CO2. Photochemical production rates would also have been important and were calculated for HCN and H2CO. A reasonable rate of synthesis of amino acids from these sources is about 10 n moles/(sq cm yr) or 0.10 moles/sq cm in 10(exp 7) yrs. This would give a concentration of 3 x 10(exp -4) M in an ocean of the present size (300 liters/sq cm). The amino acids cannot accumulate over a longer period because the entire ocean passes through the 350 C submarine vents in 10(exp 7) yrs, which decomposes all the organic compounds. A number of workers have calculated the influx of comets and meteorites on the primitive earth, both as a destructive process for organic compounds and for any life that was present, as well as a source of organic compounds. Some of the amino acids from the meteorite proposed to have hit the earth 65 x 10(exp 6) yrs ago were detected at the Cretaceous/Tertiary boundary sediments. The problem with proposing a large scale input of organic compounds from meteorites and comets is that they must survive passage through the atmosphere and impact. There are some processes that would allow survival such as showers of centimeter to meter sized meteorites and various aerodynamic braking processes for larger objects. Even if a significant amount of the organic material survived impact, the destructive processes in the hydrothermal vents would remove these compounds on the average in 10(exp 7) yrs or less. If it is assumed that the input rate was sufficient to overcome these destructive processes, then too much carbon and water, especially from comets, would have been added to the surface of the earth. It was concluded that while some organic material was added to the earth from comets and meteorites, the amount available from these sources at a given time was only a few percent of that from earth based syntheses.

Miller, S. L.↗
NASA NTRS2020

Temperature and Chemical Species Distributions in the Middle Atmosphere Observed during Titan's Late Northern Spring to Early Summer

We present a study of the seasonal evolution of Titan’s thermal field and distributions of haze, C2H2, C2H4, C2H6, CH3C2H, C3H8, C4H2, C6H6, HCN, and HC3N from March 2015 (Ls = 66°) to September 2017 (Ls = 93°) (i.e., from the last third of northern spring to early summer). We analyzed thermal emission of Titan’s atmosphere acquired by the Cassini Composite Infrared Spectrometer with limb and nadir geometry to retrieve the stratospheric and mesospheric temperature and mixing ratios pole-to-pole meridional cross sections from 5 mbar to 50 μbar (120–650 km). The southern stratopause varied in a complex way and showed a global temperature increase from 2015 to 2017 at high-southern latitudes. Stratospheric southern polar temperatures, which were observed to be as low as 120 K in early 2015 due to the polar night, showed a 30 K increase (at 0.5 mbar) from March 2015 to May 2017 due to adiabatic heating in the subsiding branch of the global overturning circulation. All photochemical compounds were enriched at the south pole by this subsidence. Polar cross sections of these enhanced species, which are good tracers of the global dynamics, highlighted changes in the structure of the southern polar vortex. These high enhancements combined with the unusually low temperatures (<120 K) of the deep stratosphere resulted in condensation at the south pole between 0.1 and 0.03 mbar (240–280 km) of HCN, HC3N, C6H6 and possibly C4H2 in March 2015 (Ls = 66°). These molecules were observed to condense deeper with increasing distance from the south pole. At high-northern latitudes, stratospheric enrichments remaining from the winter were observed below 300 km between 2015 and May 2017 (Ls = 90°) for all chemical compounds and up to September 2017 (Ls = 93°) for C2H2, C2H4, CH3C2H, C3H8, and C4H2. In September 2017, these local enhancements were less pronounced than earlier for C2H2, C4H2, CH3C2H, HC3N, and HCN, and were no longer observed for C2H6 and C6 H6, which suggests a change in the northern polar dynamics near the summer solstice. These enhancements observed during the entire spring may be due to confinement of this enriched air by a small remaining winter circulation cell that persisted in the low stratosphere up to the northern summer solstice, according to predictions of the Institut Pierre Simon Laplace Titan Global Climate Model (IPSL Titan GCM). In the mesosphere we derived a depleted layer in C2H2, HCN, and C2H6 from the north pole to mid-southern latitudes, while C4H2, C3H4, C2H4, and HC3N seem to have been enriched in the same region. In the deep stratosphere, all molecules except C2H4 were depleted due to their condensation sink located deeper than 5 mbar outside the southern polar vortex. HCN, C4H2, and CH3C2H volume mixing ratio cross section contours showed steep slopes near the mid-latitudes or close to the equator, which can be explained by upwelling air in this region. Upwelling is also supported by the cross section of the C2H4 (the only molecule not condensing among those studied here) volume mixing ratio observed in the northern hemisphere. We derived the zonal wind velocity up to mesospheric levels from the retrieved thermal field. We show that zonal winds were faster and more confined around the south pole in 2015 (Ls = 67−72°) than later. In 2016, the polar zonal wind speed decreased while the fastest winds had migrated toward low-southern latitudes.

S Vinatier↗
NASA NTRS1998

Distribution of rock, metals, and ices in Callisto

Radio Doppler data from a single encounter (C3) of the Galileo spacecraft with Callisto, the outermost Galilean moon of Jupiter, indicated that Callisto was probably undifferentiated. Now, similar data from a second encounter (C9) corroborate this conclusion, but more accurate data from a third encounter (C10) indicate that the rock and ice within Callisto have partially, but not completely, separated. Callisto may be differentiated into a rock-metal core less than 25 percent of Callisto's radius, an outer layer of clean ice less than 350 km thick, and a middle layer of mixed rock and ice. Models in which ice and rock are mixed all the way to the center of Callisto are also consistent with the data.

Galileo Project↗
NASA NTRS1983

Screw expander for light duty diesel engines

Preliminary selection and sizing of a positive displacement screw compressor-expander subsystem for a light-duty adiabatic diesel engine; development of a mathematical model to describe overall efficiencies for the screw compressor and expander; simulation of operation to establish overall efficiency for a range of design parameters and at given engine operating points; simulation to establish potential net power output at light-duty diesel operating points; analytical determination of mass moments of inertia for the rotors and inertia of the compressor-expander subsystem; and preparation of engineering layout drawings of the compressor and expander are discussed. As a result of this work, it was concluded that the screw compressor and expander designed for light-duty diesel engine applications are viable alternatives to turbo-compound systems, with acceptable efficiencies for both units, and only a moderate effect on the transient response.

Source record↗
NASA NTRS1998

Trifluoroacetic Acid from Degradation of HCFCs and HFCs: A Three-dimensional Modeling Study

Trifluoroacetic acid (TFA; CF3 COOH) is produced by the degradation of the halocarbon replacements HFC-134a, HCFC-124, and HCFC-123. The formation of TFA occurs by HFC/HCFC reacting with OH to yield CF3COX (X = F or CI), followed by in-cloud hydrolysis of CF3COX to form TFA. The TFA formed in the clouds may be reevaporated but is finally deposited onto the surface by washout or dry deposition. Concern has been expressed about the possible long-term accumulation of TFA in certain aquatic environments, pointing to the need to obtain information on the concentrations of TFA in rainwater over scales ranging from local to continental. Based on projected concentrations for HFC-134a, HCFC-124, and HCFC-123 of 80, 10, and 1 pptv in the year 2010, mass conservation arguments imply an annually averaged global concentration of 0.16 microg/L if washout were the only removal mechanism for TFA. We present 3-D simulations of the HFC/HCFC precursors of TFA that include the rates of formation and deposition of TFA based on assumed future emissions. An established (GISS/Harvard/ UCI) but coarse-resolution (8 deg latitude by 10 deg longitude) chemical transport model was used. The anually averaged rainwater concentration of 0.12 gg/L (global) was calculated for the year 2010, when both washout and dry deposition are included as the loss mechanism for TFA from the atmosphere. For some large regions in midnorthern latitudes, values are larger, 0.15-0.20 microg/L. The highest monthly averaged rainwater concentrations of TFA for northern midlatitudes were calculated for the month of July, corresponding to 0.3-0.45 microg/L in parts of North America and Europe. Recent laboratory experiments have suggested that a substantial amount of vibrationally excited CF3CHFO is produced in the degradation of HFC-134a, decreasing the yield of TFA from this compound by 60%. This decrease would reduce the calculated amounts of TFA in rainwater in the year 2010 by 26%, for the same projected concentrations of precursors.

Kotamarthi, V. R.↗
NASA NTRS2020

Fermi and Swift Observations of GRB 190114C: Tracing the Evolution of High-energy Emission from Prompt to Afterglow

We report on the observations of gamma-ray burst (GRB) 190114C by the Fermi Gamma-ray Space Telescope and the Neil Gehrels Swift Observatory. The prompt gamma-ray emission was detected by the Fermi GRB Monitor (GBM), the Fermi Large Area Telescope (LAT), and the Swift Burst Alert Telescope (BAT) and the long-lived afterglow emission was subsequently observed by the GBM, LAT, Swift X-ray Telescope (XRT), and Swift UV Optical Telescope. The early-time observations reveal multiple emission components that evolve independently, with a delayed power-law component that exhibits significant spectral attenuation above 40 MeV in the first few seconds of the burst. This power-law component transitions to a harder spectrum that is consistent with the afterglow emission observed by the XRT at later times. This afterglow component is clearly identifiable in the GBM and BAT light curves as a slowly fading emission component on which the rest of the prompt emission is superimposed. As a result, we are able to observe the transition from internal-shock- to external-shock-dominated emission. We find that the temporal and spectral evolution of the broadband afterglow emission can be well modeled as synchrotron emission from a forward shock propagating into a wind-like circumstellar environment. We estimate the initial bulk Lorentz factor using the observed high-energy spectral cutoff. Considering the onset of the afterglow component, we constrain the deceleration radius at which this forward shock begins to radiate in order to estimate the maximum synchrotron energy as a function of time. We find that even in the LAT energy range, there exist high-energy photons that are in tension with the theoretical maximum energy that can be achieved through synchrotron emission from a shock. These violations of the maximum synchrotron energy are further compounded by the detection of very high-energy (VHE) emission above 300 GeV by MAGIC concurrent with our observations. We conclude that the observations of VHE photons from GRB 190114C necessitates either an additional emission mechanism at very high energies that is hidden in the synchrotron component in the LAT energy range, an acceleration mechanism that imparts energy to the particles at a rate that is faster than the electron synchrotron energy-loss rate, or revisions of the fundamental assumptions used in estimating the maximum photon energy attainable through the synchrotron process.

M. Ajello↗
NASA NTRS1986

Experimental and raytrace results for throat-to-throat compound parabolic concentrators

Compound parabolic concentrators are nonimaging cone-shaped optics with useful angular transmission characteristics. Two cones used throat-to-throat accept radiant flux within one well-defined acceptance angle and redistribute it into another. If the entrance cone is fed with Lambertian flux, the exit cone produces a beam whose half-angle is the exit cone's acceptance angle and whose cross section shows uniform irradiance from near the exit mouth to infinity. (The pair is a beam angle transformer). The design of one pair of cones is discussed, also an experiment to map the irradiance of the emergent beam, and a raytracing program which models the cones fed by Lambertian flux. Experimental results compare favorably with raytrace results.

Leviton, D. B.↗
NASA NTRS1987

A thermodynamic model of the Hg(0.8)Cd(0.2)Te-iodine transport system. I - Te-saturated source material. II - Source material composition within the homogeneity range

A thermochemical analysis of the Hg(0.8)Cd(0.2)Te-iodine vapor transport system is presented, and theoretical calculations of diffusion-controlled mass transport rates are made. The predicted mass fluxes are compared with experimental data obtained from transport experiments under vertical, stabilizing conditions reported earlier and with results of additional transport experiments conducted during the present study. Experimental mass transport rate studies of the transport system for fixed amount of excess Hg as a function of transport agent pressure are presented. The mass fluxes are determined for the vertical, stabilizing orientation of the density gradient relative to the gravitational vector. In order to compare experimental mass transport rates with computed values, the thermochemical analysis is extended to take the formation of Hg vacancies in the above compound into account along with their effect on the partial pressure of the system.

Chandra, D.↗
NASA NTRS1983

Semiconductor photoelectrochemistry

Semiconductor photoelectrochemical reactions are investigated. A model of the charge transport processes in the semiconductor, based on semiconductor device theory, is presented. It incorporates the nonlinear processes characterizing the diffusion and reaction of charge carriers in the semiconductor. The model is used to study conditions limiting useful energy conversion, specifically the saturation of current flow due to high light intensity. Numerical results describing charge distributions in the semiconductor and its effects on the electrolyte are obtained. Experimental results include: an estimate rate at which a semiconductor photoelectrode is capable of converting electromagnetic energy into chemical energy; the effect of cell temperature on the efficiency; a method for determining the point of zero zeta potential for macroscopic semiconductor samples; a technique using platinized titanium dioxide powders and ultraviolet radiation to produce chlorine, bromine, and iodine from solutions containing their respective ions; the photoelectrochemical properties of a class of layered compounds called transition metal thiophosphates; and a technique used to produce high conversion efficiency from laser radiation to chemical energy.

Buoncristiani, A. M.↗
NASA NTRS2016

The Astrobiology of the Subsurface: Exploring Cave Habitats on Earth, Mars and Beyond

We are using the spectacular underground landscapes of Earth caves as models for the subsurfaces of other planets. Caves have been detected on the Moon and Mars and are strongly suspected for other bodies in the Solar System including some of the ice covered Ocean Worlds that orbit gas giant planets. The caves we explore and study include many extreme conditions of relevance to planetary astrobiology exploration including high and low temperatures, gas atmospheres poisonous to humans but where exotic microbes can flourish, highly acidic or salty fluids, heavy metals, and high background radiation levels. Some cave microorganisms eat their way through bedrock, some live in battery acid conditions, some produce unusual biominerals and rare cave formations, and many produce compounds of potential pharmaceutical and industrial significance. We study these unique lifeforms and the physical and chemical biosignatures that they leave behind. Such traces can be used to provide a "Field Guide to Unknown Organisms" for developing life detection space missions.

caves↗
NASA NTRS2017

The Astrobiology of the Subsurface: Caves and Rock Fracture Habitats on Earth, Mars and Beyond

The Astrobiology of the Subsurface: Exploring Cave Habitats on Earth, Mars and Beyond. We are using the spectacular underground landscapes of Earth caves as models for the subsurfaces of other planets. Caves have been detected on the Moon and Mars and are strongly suspected for other bodies in the Solar System including some of the ice covered Ocean Worlds that orbit gas giant planets. The caves we explore and study include many extreme conditions of relevance to planetary astrobiology exploration including high and low temperatures, gas atmospheres poisonous to humans but where exotic microbes can fluorish, highly acidic or salty fluids, heavy metals, and high background radiation levels. Some cave microorganisms eat their way through bedrock, some live in battery acid conditions, some produce unusual biominerals and rare cave formations, and many produce compounds of potential pharmaceutical and industrial significance. We study these unique lifeforms and the physical and chemical biosignatures that they leave behind. Such traces can be used to provide a Field Guide to Unknown Organisms for developing life detection space missions.

Caves↗
NASA NTRS1987

Design and validation of fault-tolerant flight systems

Flight systems must be validated to show that they are consistent with the requirements of their intended applications. While high reliability is difficult to validate, the additional complexity of fault tolerance further compounds the validation problem. The objective of NASA’s research is to develop a methodology for designing validatable fault-tolerant systems. Under the design-for-validation philosophy, emphasis is placed on developing validation methods that can be incorporated into the design process right from the start and design methods and guidance which, while incorporating fault tolerance, can assure validatability. This paper examines the statistical issues of validating highly reliable, fault tolerant system. There are many problems associated with traditional methods of designing and validating these potentially complex hardware and software systems. Useful design-for-validation methods, which include structured specification and design methodologies, mathematical proof techniques, analytical modeling, simulation and emulation, and physical testing, are discussed. Important design issues associated with fault tolerance are presented along with the related validation concerns which must be addressed. Experience has shown that synchronization and Byzantine resilience must accompany fault tolerance. Other design attributes associated with fault tolerance may be used by a designer on the basis of cost, weight, performance, and validation considerations.

Computer systems↗
NASA NTRS1998

Trifluoroacetic Acid from Degradation of HCFCs and HFCs: A Three-Dimensional Modeling Study

Trifluoroacetic acid (TFA; CF3COOH) is produced by the degradation of the halocarbon replacements HFC-134a, HCFC-124, and HCFC-123. The formation of TFA occurs by HFC/HCFC reacting with OH to yield CF3COX (X = F or CI), followed by in-cloud hydrolysis of CF3COX to form TFA. The TFA formed in the clouds may be reevaporated but is finally deposited onto the surface by washout or dry deposition. Concern has been expressed about the possible long-term accumulation of TFA in certain aquatic environments, pointing to the need to obtain information on the concentrations of TFA in rainwater over scales ranging from local to continental. Based on projected concentrations for HFC-134a, HCFC-124, and HCFC-123 of 80, 10, and 1 pptv in the year 2010, mass conservation arguments imply an annually averaged global concentration of 0.16 micro g/L if washout were the only removal mechanism for TFA. We present 3-D simulations of the HFC/HCFC precursors of TFA that include the rates of formation and deposition of TFA based on assumed future emissions. An established (GISS/Harvard/ UCI) but coarse-resolution (8 deg latitude by 10 deg longitude) chemical transport model was used. The annually averaged rainwater concentration of 0.12 micro g/L (global) was calculated for the year 2010, when both washout and dry deposition are included as the loss mechanism for TFA from the atmosphere. For some large regions in midnorthern latitudes, values are larger, 0.15-0.20 micro g/L. The highest monthly averaged rainwater concentrations of TFA for northern midlatitudes were calculated for the month of July, corresponding to 0.3-0.45 micro g/L in parts of North America and Europe. Recent laboratory experiments have suggested that a substantial amount of vibrationally excited CF3CHFO is produced in the degradation of HFC-134a, decreasing the yield of TFA from this compound by 60%. This decrease would reduce the calculated amounts of TFA in rainwater in the year 2010 by 26%, for the same projected concentrations of precursors.

Kotamarthi, V. R.↗
NASA NTRS1998

Trifluoroacetic Acid from Degradation of HCFCs and HFCs: A Three-Dimensional Modeling Study

Trifluoroacetic acid (TFA; CF3 COOH) is produced by the degradation of the halocarbon replacements HFC-134a, HCFC-124, and HCFC-123. The formation of TFA occurs by HFC/HCFC reacting with OH to yield CF3COX (X = F or CI), followed by in-cloud hydrolysis of CF to form TFA. The TFA formed in the clouds may be reevaporated but is finally deposited onto the surface by washout or dry deposition. Concern has been expressed about the possible long-term accumulation of TFA in certain aquatic environments, pointing to the need to obtain information on the concentrations of TFA in rainwater over scales ranging from local to continental. Based on projected concentrations for HFC-134a, HCFC-124, and HCFC-123 of 80, 10, and 1 pptv in the year 2010, mass conservation arguments imply an annually averaged global concentration of 0.16 micro g/L if washout were the only removal mechanism for TFA. We present 3-D simulations of the HFC/HCFC precursors of TFA that include the rates of formation and deposition of TFA based on assumed future emissions. An established (GISS[Harvard/ UCI) but coarse-resolution (8 deg latitude by 10 deg longitude) chemical transport model was used. The annually averaged rainwater concentration of 0.12 micro g/L (global) was calculated for the year 2010, when both washout and dry deposition are included as the loss mechanism for TFA from the atmosphere. For some large regions in midnorthern latitudes, values are larger. 0.15-0.20 micro g/L. The highest monthly averaged rainwater concentrations of TFA for northern midlatitudes were calculated for the month of July, corresponding to 0.3 - 0.45 micro g/L in parts of North America and Europe. Recent laboratory experiments have suggested that a substantial amount of vibrationally excited CF3CHFO is produced in the degradation of HFC-134a, decreasing the yield of TFA from this compound by 60%. This decrease would reduce the calculated amounts of TFA in rainwater in the year 2010 by 26%, for the same projected concentrations of precursors.

Kotamarthi, V. R.↗
NASA NTRS2020

X-56A Structural Dynamics Ground Testing Overview and Lessons Learned

The X-56A Multi-Utility Technology Testbed (MUTT) is a subscale, fixed-wing aircraft designed for high-risk aeroelastic flight demonstration and research. Structural dynamics ground testing for model validation was especially important for this vehicle because the structural model was directly used in the development of a flight control system with active flutter suppression capabilities. Structural dynamics ground tests of the X-56A MUTT with coupled rigid-body and structural modes provided a unique set of challenges. An overview of the ground vibration test (GVT) and moment of inertia (MOI) test setup and execution is presented. The series of GVTs included the wing by itself attached to a strongback and complete vehicle at two mass conditions: empty and full fuel. Two boundary conditions for the complete-vehicle test were studied: on landing gear and suspended free-free. Pitch MOI tests were performed using a compound pendulum method and repeated with two different pendulum lengths for independent verification. The original soft-support test configuration for the GVT used multiple bungees, resulting in unforeseen coupling interactions between the soft-support bungees and the vehicle structural modes. To resolve this problem, the soft-support test setup underwent multiple iterations. The various GVT configurations and boundary-condition modifications are highlighted and explained. Lessons learned are captured for future consideration when performing structural dynamics testing with similar vehicles.

Chin, Alexander W.↗
NASA NTRS2008

Diversity and Physiology of Siderophilic Cyanobacteria: Implication for the Bioenergetics

Prior to 2.4 Ga, global oceans were likely significantly enriched in soluble iron (Rouxel, Bekker, Edwards, 2005), a condition that is not conducive to the growth of most contemporary mesophilic cyanobacteria (CB). Recent studies of the mechanisms of iron-deficiency stress in CB suggest that contemporary mesophilic freshwater and marine B underwent long-term adaptation to a permanent decrease in soluble iron in the ocean environment (Boyer, et al., 1987; Braun, Hantke, and Koster, 1998). Of all extant environments, iron-depositing hot springs may constitute the most appropriate natural models for analysis of the transition of ancestral cyanobacteria (CB) or protocyanobacteria (PCB) (Olson, 2001) from anoxygenic photosynthesis to oxygenic one and biogeochemical processes in the late Archean and early Paleoproterozoic eras. In particular, Olson (2001) proposed the definition for PCB and postulated that the common ancestor of PCB and CB might well have used Fe(OH)+ as the principal electron donor for CO2 fixation (Widdel, et al., 1993; Ehrenreich and Widdel, 1994; Pierson and Olson, 1989; Olson, 2006). Olson (2001) proposed that the driving force for the evolution of RC2, in addition to RC1, was the necessity to use Fe(OH)+ effectively for CO2 fixation in the absence of reduced sulfur compounds. The global decrease of dissolved environmental reduced iron could have been the driving force for the transition from anoxygenic to oxygenic photosynthesis (Brown et al., 2007). Despite the insights into the ecology, evolutionary biology, paleogeobiochemistry, and astrobiology the examination of iron depositing hot springs (IDHS) could potentially provide, very few studies dedicated to the diversity and physiology of cyanobacteria inhabiting IDHS have been conducted. Here we describe the phylogeny, physiology and ultrastructure and biogeochemical activity of several recent CB isolates from two different greater Yellowstone area IDHS, e.g. LaDuke and Chocolate Pots. Phylogenetic analysis of 16S rRNA genes indicated that 6 of 12 new isolates examined could not be placed within established CB genera. Some of the isolates exhibited pronounced requirements for elevated iron concentrations, with maximum growth rates observed when 0.4-1 mM Fe(3+) was present in the media. However, the pronounced effect of iron limitation on the proliferation of siderophilic CB can be observed only after several passages through iron "free" media. TEM studies of several species of siderophilic CB revealed that the cultures JSC-3 and -11 are probably capable of some sort of pinocytosis of precipitated iron. This phenomenon may explain high tolerance of siderophilic CB to iron deficit. We also found that the stimulation of the growth of siderophilic CB by oxidized iron is accompanied by the decrease of O2 evolution by some species after addition Fe(2+) in iron "free" medium.

Brown, Igor↗
NASA NTRS2005

Chemical Loss of Polar Ozone: Present Understanding and Remaining Uncertainties

Not long after the discovery of the Antarctic ozone hole, it was established that halogen compounds, supplied to the atmosphere mainly by anthropogenic activities, are the primary driver of polar ozone loss. We will briefly review the chemical mechanisms that cause polar ozone loss and the early evidence showing the key role played by anthropogenic halogens. Recently, stratospheric halogen loading has leveled off, due to adherence to the Montreal Protocol and its amendments that has essentially banned CFCs (chlorofluorocarbons) and other halocarbons. We will describe recent reports of the first stage of recovery of the Antarctic ozone hole (e.g., a statistically significant slowing of the downward trend), associated with the leveling off of stratospheric halogens. Despite this degree of understanding, we will discuss the tendency of photochemical models to underestimate the observed rate of polar ozone loss and a hypothesis that has recently been put forth that might resolve this discrepancy. Finally, we will briefly discuss chemical loss of Arctic ozone, which

climate change↗
NASA NTRS2002

Atomistic Modeling of Semiconductors: Si, C, and 3C-SiC

An ongoing task of the Computational Materials Group (CMG) at the NASA Glenn Research Center is to enhance the role of atomistic simulations based on quantum-approximate methods in the study of new materials and their properties. One of the main goals of the activity continues to be breaching limitations that arise from the natural balance between accuracy, range of application, and computational simplicity. Whether that balance can be maintained while breaking new ground depends on the methods available with a minimum of constraints and limitations for the study of the energetics of arbitrary systems. The main tool used in CMG research, the Bozzolo- Ferrante-Smith (BFS) method for alloys, has no inherent constraint in its formulation, a feature that has allowed for successful research on various topics. In this article, we report on the latest development of the CMG program, namely, the extension and application of the BFS method to compound semiconductors, a departure from our previous research based primarily on metallic alloys.

Bozzolo, Guillermo↗