Results for “model compounds” — Page 29

NASA NTRS1986

Future directions for H sub x O sub y detection, executive summary

New methods for the measurement of OH radicals were assessed as were currently available and possible future methods for the other H sub x O sub y species, HO2 and H2O2. The workshop participants were invited from different groups: modelers of atmospheric photochemistry, experimentalists measuring H sub x O y species with laser and nonlaser methods, and chemists and physicists familiar with such experiments but not involved in atmospheric monitoring. There were three major conclusions from the workshop concerning the OH radical. First, it was felt that local measurements made by laser techniques would be ready within 2 or 3 years to furnish reliable measurements at the level of 1,000,000 cu. cm. Second, measurements at this level of sensitivity and with attainable levels of precision could indeed be used to make useful and interesting tests of the fast photochemistry of the troposphere. It is important, however, that the measurements be carefully designed, with respect to spatial and temporal averaging, if there is to be a meaningful comparison between results from two experimental methods or a measurement and a model. Third, nonlocal measurements using released reactants and tracers would also be very useful. These could be made on a regional or global basis, although they still require experimental design including choice of compounds.

Source record↗

NASA NTRS1977

Radiometric measurement of stratospheric HCl

On March 17, 1976, the atmospheric absorption of solar infrared radiation at sunset was measured by a balloon-borne pressure modulator, whose major feature was a cell containing gaseous HCl, through which the incoming radiation passed. The side-band:wide-band ratio which is related to the amount of atmospheric HCl in the path between the instrument and the sun, was also measured. The vertical mixing ratio profile for gaseous HCl for the altitude range 16-39 km, was derived from the data by using a computer model. The shape of the profile implies that the major source of HCl in the stratosphere is around 32 km. The importance of this profile in determining the effects of man-made chlorine compounds on atmospheric ozone is stressed.

Eyre, J. R.↗

NASA NTRS1981

Comet nucleus - Some characteristics and a hypothesis on origin and structure

The spectroscopic properties of comets are discussed, and consideration is given to the problems of the cosmic ray irradiation and the origin and structure of cometary nuclei. The classification of cometary spectra as continuum dominant, molecular emissions dominant and CO(+) dominant is examined, and changes in spectral characteristics with heliocentric distance although not with cometary age are pointed out. Spectral evidence for a variety of organic compounds in the cometary nucleus is noted, and a scenario is presented whereby these complex molecules may form as a result of cosmic ray irradiation of cometary ices in the Oort cloud. Finally, a model is proposed for the accumulation of small icy grains to form a cometary nucleus composed of cometesimals of size distribution following a -5th power dependence on mass.

Donn, B.↗

NASA NTRS1987

Airfoil flutter model suspension system

A wind tunnel suspension system for testing flutter models under various loads and at various angles of attack is described. The invention comprises a mounting bracket assembly affixing the suspension system to the wind tunnel, a drag-link assembly and a compound spring arrangement comprises a plunge spring working in opposition to a compressive spring so as to provide a high stiffness to trim out steady state loads and simultaneously a low stiffness to dynamic loads. By this arrangement an airfoil may be tested for oscillatory response in both plunge and pitch modes while being held under high lifting loads in a wind tunnel.

Reed, Wilmer H.↗

NASA NTRS1993

Simplified jet fuel reaction mechanism for lean burn combustion application

Successful modeling of combustion and emissions in gas turbine engine combustors requires an adequate description of the reaction mechanism. Detailed mechanisms contain a large number of chemical species participating simultaneously in many elementary kinetic steps. Current computational fluid dynamic models must include fuel vaporization, fuel-air mixing, chemical reactions, and complicated boundary geometries. A five-step Jet-A fuel mechanism which involves pyrolysis and subsequent oxidation of paraffin and aromatic compounds is presented. This mechanism is verified by comparing with Jet-A fuel ignition delay time experimental data, and species concentrations obtained from flametube experiments. This five-step mechanism appears to be better than the current one- and two-step mechanisms.

Lee, Chi-Ming↗

NASA NTRS1983

Shock Tube Studies of Soot Formation

The objective of this research is to record the time histories of the major and minor species which appear in the pyrolysis of toluene, benzene, butadiene, allene, and acetylene; to develop a set of reactions that will model the observed profiles over a wide temperature and concentration range; to identify the critical reactions that influence the pre-particle soot formation process. Toluene and benzene were chosen as two key aromatic compounds which are representative of the pyrolytic process. Butadiene, allene, and acetylene were selected to investigate the formation of aromatic compounds from non-cyclic species. The experimental apparatus used for the study consists of a shock tube coupled to a time-of-flight mass spectrometer Spectra are recorded at 30 microsecond intervals for a total observation time of 0.50 - 1.20 milliseconds. Peak heights of the species of interest in the m/e range 12-300 are measured as a function of reaction time. Calibration curves are constructed which aid the conversion of peak heights to concentrations. The mixtures range from 1 percent-6 percent fuel; the balance is neon diluent.

R D Kern↗

NASA NTRS2004

Biology and The Future of Mars

It is possible that at some time in the future we might recreate a habitable climate on Mars returning it to the life-bearing state it may have enjoyed early in its history. Our studies of Mars are still in a preliminary state but everything we have learned suggests that it may he possible to restore Mars to a habitable climate. Long part of the intersection of science and fiction (eg. Clarke, 1995), serious studies of planetary ecosynthesis on Mars began after the results of the Viking mission indicated that all the compounds needed for life were present on the surface of Mars is some accessible form (Averner and MacElroy, 1976; McKay et al., 1991; Fogg, 1995). Recent work has focused on the use of climate models to compute the timescales to warm Mars (McKay et al., 1991 ; McKay and Marinova, 2001). Planetary ecosynthesis on Mars has implications for the objectives and conduct of robotic and human exploration. In particular the question of forward contamination must be considered in a new way if we wish to control the introduction of life to Mars in advance of planetary ecosynthesis.

McKay, Christopher P.↗

NASA NTRS2011

Performance Tests of Snow-Related Variables Over the Tibetan Plateau and Himalayas Using a New Version of NASA GEOS-5 Land Surface Model that Includes the Snow Darkening Effect

The snow darkening effect, i.e. the reduction of snow albedo, is caused by absorption of solar radiation by absorbing aerosols (dust, black carbon, and organic carbon) deposited on the snow surface. This process is probably important over Himalayan and Tibetan glaciers due to the transport of highly polluted Atmospheric Brown Cloud (ABC) from the Indo-Gangetic Plain (IGP). This effect has been incorporated into the NASA Goddard Earth Observing System model, version 5 (GEOS-5) atmospheric transport model. The Catchment land surface model (LSM) used in GEOS-5 considers 3 snow layers. Code was developed to track the mass concentration of aerosols in the three layers, taking into account such processes as the flushing of the compounds as liquid water percolates through the snowpack. In GEOS-5, aerosol emissions, transports, and depositions are well simulated in the Goddard Chemistry Aerosol Radiation and Transport (GO CART) module; we recently made the connection between GOCART and the GEOS-5 system fitted with the revised LSM. Preliminary simulations were performed with this new system in "replay" mode (i.e., with atmospheric dynamics guided by reanalysis) at 2x2.5 degree horizontal resolution, covering the period 1 November 2005 - 31 December 2009; we consider the final three years of simulation here. The three simulations used the following variants of the LSM: (1) the original Catchment LSM with a fixed fresh snowfall density of 150 kg m-3 ; (2) the LSM fitted with the new snow albedo code, used here without aerosol deposition but with changes in density formulation and melting water effect on snow specific surface area, (3) the LSM fitted with the new snow albedo code as same as (2) but with fixed aerosol deposition rates (computed from GOCART values averaged over the Tibetan Plateau domain [Ion.: 60-120E; lat.: 20-50N] during March-May 2008) applied to all grid points at every time step. For (2) and (3), the same setting on the fresh snowfall density as in (1) was used.

Yasunari, Tppei J.↗

NASA NTRS2013

Prospecting for Polar Volatiles: Results from the Resolve Field

Both the Moon and Mercury evidently host ice and other volatile compounds in cold traps at the planets poles. Determining the form, spatial distribution, and abundance of these volatiles at the lunar poles can help us understand how and when they were delivered and emplaced. This bears directly on the delivery of water and prebiotic compounds to the inner planets over the solar system s history, and also informs plans for utilizing the volatiles as resources for sustained human exploration as well as the commercial development of space. Temperature models and orbital data suggest near-surface volatile concentrations may exist at polar locations not strictly in permanent shadow. Remote operation of a robotic lunar rover mission for the 7-10 days of available sunlight would permit key questions to be answered. But such a short, quick-tempo mission has unique challenges and requires a new concept of operations. Both science and rover operations decisionmaking must be done in real time, requiring immediate situational awareness, data analysis, and decision support tools.

Elphic, Richard C.↗

NASA NTRSDate not supplied

Interpretable Tree-Based and Graph Neural Network Approaches for Novel Solid State Electrolyte Design

All-solid-state batteries with Li metal anode can address the safety issues surrounding traditional Li-ion batteries as well as the demand for higher energy densities. However, the development of solid electrolytes simultaneously possessing high ionic conductivity and good chemical and electrochemical stabilities has proven to be a challenge. I will present our informatics approach to explore the Li compound space for promising solid electrolytes using high-throughput multi-property screening and interpretable machine learning. This is accomplished through the generation of a large database of battery-related materials properties of Li compounds. We use tree-based ensemble learning methods and graph neural network approaches to accurately learn relationships between crystal structures and corresponding thermodynamic and kinetic properties, with interpretability being a major focus. Our models give us the ability to enable rapid discovery and design of novel solid-state battery chemistries.

Materials discovery↗

NASA NTRSDate not supplied

Interpretable ML Approaches for Novel Solid State Electrolyte Design

All-solid-state batteries with Li metal anode can address the safety issues surrounding traditional Li-ion batteries as well as the demand for higher energy densities. However, the development of solid electrolytes simultaneously possessing high ionic conductivity and good chemical and electrochemical stabilities has proven to be a challenge. I will present our informatics approach to explore the Li compound space for promising solid electrolytes using high-throughput multi-property screening and interpretable machine learning. This is accomplished through the generation of a large database of battery-related materials properties of Li compounds. We use tree-based ensemble learning methods and graph neural network approaches to accurately learn relationships between crystal structures and corresponding thermodynamic and kinetic properties, with interpretability being a major focus. Our models give us the ability to enable rapid discovery and design of novel solid-state battery chemistries.

Shreyas J Honrao↗

NASA NTRS2001

Integration of Atmospheric, Laboratory, and Satellite Data to Estimate Biospheric Sources of Oxygenated Organic Compounds

For this study, we intend to use a long time series of coarse resolution (8 km and quarter degree) vegetation leaf area index (LAI) and fraction of absorbed PAR (FAPAR) derived from AVHRR data for the time period July 1981 through Dec 2001. The Global Inventory Monitoring and Modeling Studies (GIMMS) data set of AVHRR channel reflectances currently was developed by Dr. Tucker at NASA Goddard. The spatial resolution of the data is 8 km, and a 15-day maximum Normalized Difference Vegetation Index (NDVI) composite time series for the period July 1981 through December 1999 has been produced. The data processing included improved navigation, calibration for intra- and inter-sensor variations, partial atmospheric correction for gaseous absorption and scattering. Stratospheric aerosol effects associated with volcanic eruptions were corrected using a combination of the methods for the data from the period April 1982 - December 1984 (El Chichon) and June 1991 - December 1993 (Mt. Pinatubo).

Myneni, Ranga B.↗

NASA NTRSDate not supplied

Artificial Neural Networks to Predict Cognitive Impairment of Rodents Subjected to Space Radiation

INTRODUCTION We use artificial neural networks (ANNs) as an example machine learning (ML) tool to predict the cognitive performance impairment of rats induced by irradiation. The experimental data in the analyses is attentional set-shifting (ATSET) test scores from a rodent model exposed to ≤15 cGy of individual galactic cosmic radiation (GCR) ions: 4He, 28Si, or 56Fe, expected for a Lunar or Mars mission [1]. This work investigates rats at a subject-based level and uses applied dose and performance scores taken before irradiation to predict whether a rat will be impaired when irradiated. The results of this study are significant to crewed space missions as they support the potential of predicting an astronaut’s impairment in a specific task before spaceflight through the implementation of appropriately trained ML tools. METHODS Data used in this work are scores from the ATSET, a multi-stage constrained cognitive flexibility test [2]. Our computational model utilizes the number of attempts to reach the criterion to pass a stage as a behavioral performance measure for rats. We use the post-irradiation scores, generate thresholds from cumulative distribution plots of non-irradiated rats, and calculate the percent of irradiated rats whose scores fall below the threshold to infer how each radiation type/dose affects a population. Rats scoring above the threshold are labeled impaired while the others are non-impaired. We then employ ANNs as a typical ML technique, and use each subject’s individual scores taken before radiation along with the applied dose, to predict their personal susceptibility to cognitive impairment due to space radiation exposure. RESULTS AND CONCLUSION A significant finding is the exhibition of a dose-dependent increasing probability of impairment for 1 to 10 cGy of 28Si or 56Fe in the simple discrimination (SD) stage of the ATSET, and for 1 to 10 cGy of 56Fe in the compound discrimination (CD) stage. On a subject-based level, implementing ML classifiers such as ANNs identifies rats that have a higher tendency for impairment after GCR exposure [1]. The receiver operating characteristic (ROC) and the precision-recall (PR) curves of the ML models show a better prediction of impairment when 56Fe is the ion in question in both SD (Figure 1) and CD stages. They, however, do not depict impairment due to 4He in SD (Figure 1) and 28Si in CD, suggesting no dose-dependent impairment response in these cases. In this work, “good” prediction pertains to “better-than-random-chance”, due to the limited sample size and the high inter- and intra-individual variabilities in response to brain stimulation paradigms, as applicable to both animals and humans. More behavioral tests and biomarkers should be investigated on the same subjects, to be fed to the ML models to capture the agents responsible for performance alterations of some individuals versus others.

machine learning↗

NASA NTRSDate not supplied

Machine Learning Models to Predict Cognitive Impairment of Rodents Subjected to Space Radiation

INTRODUCTION We use artificial neural networks (ANNs) as an example machine learning (ML) tool to predict the cognitive performance impairment of rats induced by irradiation. The experimental data in the analyses is attentional set-shifting (ATSET) test scores from a rodent model exposed to ≤15 cGy of individual galactic cosmic radiation (GCR) ions: 4He, 28Si, or 56Fe, expected for a Lunar or Mars mission [1]. This work investigates rats at a subject-based level and uses applied dose and performance scores taken before irradiation to predict whether a rat will be impaired when irradiated. The results of this study are significant to crewed space missions as they support the potential of predicting an astronaut’s impairment in a specific task before spaceflight through the implementation of appropriately trained ML tools. METHODS Data used in this work are scores from the ATSET, a multi-stage constrained cognitive flexibility test [2]. Our computational model utilizes the number of attempts to reach the criterion to pass a stage as a behavioral performance measure for rats. We use the post-irradiation scores, generate thresholds from cumulative distribution plots of non-irradiated rats, and calculate the percent of irradiated rats whose scores fall below the threshold to infer how each radiation type/dose affects a population. Rats scoring above the threshold are labeled impaired while the others are non-impaired. We then employ ANNs as a typical ML technique, and use each subject’s individual scores taken before radiation along with the applied dose, to predict their personal susceptibility to cognitive impairment due to space radiation exposure. RESULTS AND CONCLUSION A significant finding is the exhibition of a dose-dependent increasing probability of impairment for 1 to 10 cGy of 28Si or 56Fe in the simple discrimination (SD) stage of the ATSET, and for 1 to 10 cGy of 56Fe in the compound discrimination (CD) stage. On a subject-based level, implementing ML classifiers such as ANNs identifies rats that have a higher tendency for impairment after GCR exposure [1]. The receiver operating characteristic (ROC) and the precision-recall (PR) curves of the ML models show a better prediction of impairment when 56Fe is the ion in question in both SD (Figure 1) and CD stages. They, however, do not depict impairment due to 4He in SD (Figure 1) and 28Si in CD, suggesting no dose-dependent impairment response in these cases. In this work, “good” prediction pertains to “better-than-random-chance”, due to the limited sample size and the high inter- and intra-individual variabilities in response to brain stimulation paradigms, as applicable to both animals and humans. More behavioral tests and biomarkers should be investigated on the same subjects, to be fed to the ML models to capture the agents responsible for performance alterations of some individuals versus others.

machine learning↗

NASA NTRS1987

Planetary atmospheres

Observations and theoretical models of planetary atmospheres published during the period 1983-1986 are reviewed, including Vega and Voyager data and results from ground-based remote sensing. Consideration is given to water-vapor and sulfur-compound distributions, electrical phenomena, and dynamics in the Venus atmosphere; dust storms, water cycles, and water and ice erosion on Mars; the compositions, temperature profiles, and dynamics of the Jovian and Saturnian atmospheres; chemical processes and zonal winds on Titan; and the radiation budgets and chemical compositions of the outer planets.

Leovy, Conway↗

NASA NTRS1994

Infrared spectoscopy of Triton and Pluto ice analogs: The case for saturated hydrocarbons

The infrared transmission spectra and photochemical behavior of various organic compounds isolated in solid N2 ices, appropriate for applications to Triton ad Pluto, are presented. It is shown that excess absorption in the surface spectra of Triton and Pluto, i.e., absorption not explained by present models incorporating molecules already identified on these bodies (N2, CH4, CO, and CO2), that starts near 4450/cm (2.25 microns) and extends to lower frequencies, may be due to alkanes (C(n)H(2n+2)) and related molecules frozen in the nitrogen. Branched and linear alkanes may be responsible. Experiments in which the photochemstry of N2: CH4 and N2: CH4: CO ices was explored demonsrtrate that the surface ices of Triton and Pluto may contain a wide variety of additional species containing H, C, O, and N. Of these, the reactive molecule diazomethane, CH2N2, is particularly important since it may be largely responsible for the synthesis of larger alkanes from CH4 and other small alkanes. Diazomethane would also be expected to drive chemical reactions involving organics in the surface ices of Triton and Pluto toward saturation, i.e., to reduce multiple CC bonds. The positions and intrinsic strengths (A values) of many of the infrared absorption bands of N2 matrix-isolated molecules of relevance to Triton and Pluto have also been determined. These can be used to aid in their search and to place constraints on their abundances.

Bohn, Robert B.↗

NASA NTRS1999

Antarctic Photochemistry: Uncertainty Analysis

Understanding the photochemistry of the Antarctic region is important for several reasons. Analysis of ice cores provides historical information on several species such as hydrogen peroxide and sulfur-bearing compounds. The former can potentially provide information on the history of oxidants in the troposphere and the latter may shed light on DMS-climate relationships. Extracting such information requires that we be able to model the photochemistry of the Antarctic troposphere and relate atmospheric concentrations to deposition rates and sequestration in the polar ice. This paper deals with one aspect of the uncertainty inherent in photochemical models of the high latitude troposphere: that arising from imprecision in the kinetic data used in the calculations. Such uncertainties in Antarctic models tend to be larger than those in models of mid to low latitude clean air. One reason is the lower temperatures which result in increased imprecision in kinetic data, assumed to be best characterized at 298K. Another is the inclusion of a DMS oxidation scheme in the present model. Many of the rates in this scheme are less precisely known than are rates in the standard chemistry used in many stratospheric and tropospheric models.

Stewart, Richard W.↗

NASA NTRS2011

Cold and Cryogenic Curation of Lunar Volatile Samples Returned to Earth

The study of volatile compounds and volatile elements, such as H, He, C, N, O, H2O, CH4, SO2, CO, CO2, NH3, HCN, etc., are commonly used for constraining evolutionary processes on planets, satellites, and asteroids, as well as formulating models of solar system formation. For Lunar science, the recent evidence of regolith and rocks containing small amounts of OH- and/or H2O has renewed scientific interest into the study of lunar volatiles [1, 2]. Future lunar sample return missions will include the study of volatiles as a high priority. Comet particles from the Stardust mission, asteroid particles from Hayabusa, meteorites, and subsurface lunar samples all occupied subfreezing environments prior to collection. Valuable geochemical information on volatiles is often lost when these samples are allowed to reach ambient temperatures on Earth. The ability to store, document, subdivide, and transport extraterrestrial geologic samples while maintaining below freezing or cryogenic temperatures is required for the complete scientific study of such samples, as well as future samples from a wide range of solar system bodies.

Calaway, M. J.↗