Search NASA⌕ Search

SEARCH · Search NASA

Results for “trace element analysis”

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 397 records · Page 22

X-ray Mapping of Terrestrial and Extraterrestrial Materials Using the Electron Microprobe

Lunar samples returned from the Apollo program motivated development of the Bence-Albee algorithm for the rapid and accurate analysis of lunar materials, and established interlaboratory comparability through its common use. In the analysis of mineral and rock fragments it became necessary to combine micro- and macroscopic analysis by coupling electron-probe microanalysis (EPMA) with automated stage point counting. A coarse grid that included several thousand points was used, and initially wavelength-dispersive (WDS) and later energydispersive (EDS) data were acquired at discrete stage points using approx. 5 sec count times. A approx 50 micrometer beam diameter was used for WDS and up to 500 micrometer beam diameter for EDS analysis. Average analyses of discretely sampled phases were coupled with the point count data to calculate the bulk composition using matrix algebra. Use of a defocused beam resulted in a contribution from multiple phases to each analytical point, and the analytical data were deconvolved relative to end-member phase chemistry on the fly. Impressive agreement was obtained between WDS and EDS measurements as well as comparison with bulk chemistry obtained by other methods. In the 30 years since these methods were developed, significant improvements in EPMA automation and computer processing have taken place. Digital beam control allows routine collection of x-ray maps by EDS, and stage mapping for WDS is conducted continuously at slew speed and incrementally by sampling at discrete points. Digital pulse processing in EDS systems has significantly increased the throughput for EDS mapping, and the ongoing development of Si-drift detector systems promises mapping capabilities rivaling WDS systems. Spectrum imaging allows a data cube of EDS spectra to be acquired and sophisticated processing of the original data is possible using matrix algebra techniques. The study of lunar and meteoritic materials includes the need to conveniently: (1) Characterize the sample at microscopic and macroscopic scales with relatively high sensitivity, (2) Determine the modal abundance of minerals, and (3) Identify and relocate discrete features of interest in terms of size and chemistry. The coupled substitution of cations in minerals can result in significant variation in mineral chemistry, but at similar average Z, leading to poor backscattered-electron (BSE) contrast discrimination of mineralogy. It is necessary to discriminate phase chemistry at both the trace element level and the major element level. To date, the WDS of microprobe systems is preferred for mapping due to high throughput and the ability to obtain the necessary intensity to discriminate phases at both trace and major element concentrations. It is desirable to produce fully quantitative compositional maps of geological materials, which requires the acquisition of k-ratio maps that are background and dead-time corrected, and which have been corrected by phi(delta z> or an equivalent algorithm at each pixel. To date, turnkey systems do not allow the acquisition of k-ratio maps and the rigorous correction in this manner. X-ray maps of a chondrule from the Ourique meteorite, and a comb-layered xenolith from the San Francisco volcanic field, have been analyzed and processed to extract phase information. The Ourique meteorite presents a challenge due to relatively low BSE contrast, and has been studied using spectrum imaging. X-ray maps for Si, Mg, and FeK(alpha) were used to produce RGB images. The xenolith sample contains sector-zoned augite, olivine, plagioclase, and basaltic glass. X-ray maps were processed using Lispix and ImageJ software to produce mineral phase maps. The x-ray maps for Mg, Ca, and Ti were used with traceback to generate binary images that were converted to RGB images. These approaches are successful in discriminating phases, but it is desirable to achieve the methods that were used on lunar samples 30 years ago on current microprobe systems. Curnt research includes x-ray mapping analysis of the Dalgety Downs chondrite by micro x-ray fluorescence and spectrum imaging, in collaboration with Kenny Witherspoon of IXRF Systems and Dale Newbury of NIST.

Carpenter, P.↗

Lunar volcanic glasses and their constraints on mare petrogenesis

The compositional properties of volcanic glasses from the Apollo 11, 14, 15 and 16 landing sites are examined and implications of the results for mare basalt petrogenesis and deep lunar structures are discussed. Major-element and nickel analyses were performed on the glasses using electron probe techniques, and R-mode principal component analysis was performed on the 19 different compositions of glass distinguished. The glasses are found to form two distinct chemical arrays based on the major elements and Ni. The presence of two chemically isolated cumulate systems in the mantle at different depths is thus inferred, and a model is developed for mare petrogenesis in which each system was itself composed of two lithologic components that underwent hybridization, assimilation or mixing to generate the large compositional range of magmas represented by the lunar volcanic glasses. The surface-correlated elements associated with the volcanic glasses are attributed to another reservoir in the deep interior which may be responsible for gas emissions causing lunar transient phenomena. The model developed allows predictions to be made concerning the liquidus phase relations, trace and radiogenic element distributions, nonradiogenic isotope compositions and sample ages.

Delano, J. W.↗

Computational Analysis of Compressibility Effects on a High-Lift Wing

The objective of this study was to investigate compressibility effects on a high-lift flowfield by simulating the flow about a three-dimensional multi-element wing. The computations were performed by solving both the incompressible and compressible Navier-Stokes equations (using the INS3D and OVERFLOW codes) on structured, overset grids. Turbulence was modeled via the one-equation, fully turbulent Spalart-Allmaras model. The computational results were validated with surface pressure measurements acquired at the NASA Ames 7- by 10-Foot Wind Tunnel. The geometry used for all computations consisted of an unswept wing in a landing configuration with a half-span flap and a three-quarter-span slat mounted inside a rectangular duct approximating the wind tunnel walls. The solutions were carefully examined to account for effects due to differences in algorithms. Compressibility effects were demonstrated by comparing surface particle traces, sectional pressure coefficient and boundary layer profile plots. It was found that small regions of compressibility near the slat and main-element leading edge can largely impact the flow. Even small compressibility regions can have significant global effects on the circulation and separation of each of the high-lift elements.

Baker, M. David↗

BOREAS (Boreal Ecosystem-Atmosphere Study): Global change and biosphere-atmosphere interactions in the boreal forest

The Boreal Ecosystems Atmosphere Study (BOREAS) is a cooperative field and analysis project involving elements of land surface climatology, tropospheric chemistry, and terrestrial ecology. The goal of the study is to understand the interactions between the boreal forest biome and the atmosphere in order to clarify their roles in global change. The study will be centered on two 20 by 20 km sites within the North American boreal forest region, located near the northern and southern limits of the biome. Studies based at these sites will be used to explore the roles of various environmental factors in controlling the extent and character of the biome. The sites will be the subject of surface, airborne, and satellite based observations which aim to improve understanding of the biological and physical processes and states which govern the exchanges of energy, water, carbon, and trace gases between boreal forest ecosystems and the atmosphere. Particular reference will be made to those processes and states that may be sensitive to global change. The study also aims to develop the use of remote sensing techniques to transfer understanding of the above process from local scales out to regional scales. The BOREAS project is being planned for 1992-1996, with a major field effort in 1994.

Sellers, Piers J.↗

Geometrical evidence for dark matter: X-ray constraints on the mass of the elliptical galaxy NGC 720

We describe (1) a new test for dark matter and alternate theories of gravitation based on the relative geometries of the X-ray and optical surface brightness distributions and an assumed form for the potential, of the optical light, (2) a technique to measure the shapes of the total gravitating matter and dark matter of an ellipsoidal system which is insensitive to the precise value of the temperature of the gas and to modest temperature gradients, and (3) a new method to determine the ratio of dark mass to stellar mass that is dependent on the functional forms for the visible star, gas and dark matter distributions, but independent of the distance to the galaxy or the gas temperature. We apply these techniques to X-ray data from the ROSAT Position Sensitive Proportional Counter (PSPC) of the optically flattened elliptical galaxy NGC 720; the optical isophotes have ellipticity epsilon approximately 0.40 extending out to approximately 120 sec. The X-ray isophotes are significantly elongated, epsilon = 0.20-0.30 for semimajor axis a approximately 100 sec. The major axes of the optical and X-ray isophotes are misaligned by approximately 30 deg +/- 15 deg. Spectral analysis of the X-ray data reveals no evidence of temperature gradients or anisotropies and demonstrates that a single-temperature plasma (T approximately 0.6 keV) having subsolar heavy element abundances and a two-temperature model having solar abundances describe the spectrum equally well. Considering only the relative geometries of the X-ray and optical surface brightness distributions and an assumed functional form for the potential of the optical light, we conclude that matter distributed like the optical light cannot produce the observed ellipticities of the X-ray isophotes, independent of the gas pressure, the gas temperature, and the value of the stellar mass; this comparison assumes a state of quasi-hydrostatic equilibrium so that the three-dimensional surfaces of the gas emissivity trace the three-dimensional isopotential surfaces -- we discuss the viability of this assumption for NGC 720. Milgrom's Modification of Newtonian Dynamics (MOND) cannot dispel this manifestation of dark matter. Hence, geometrical considerations require, without mention of pressure or temperature, the presence of an extended, massive dark matter halo in NGC 720. Employing essentially the technique of Buote & Canizares (1992; Buote 1992) we use the shape of the X-ray surface brightness to constrain the shape of the total gravitating matter. The total matter is modeled as either an oblate or prolate spheriod of constant shape and orientation having either a Ferrers (rho approximately r(exp -n)) or Hernquist density. Assuming the X-ray gas is in hydrostatic equilibrium, we construct a model X-ray gas distribution for various temperature profiles. We determine the ellipticity of the total gravitating matter to be epsilon approximately 0.50-0.70. Using the single-temperature model we estimate a total mass approximately (0.41-1.4) x 10(exp 12) h(sub 80) solar mass interior to the ellipsoid of semimajor axis 43.6 h(sub 80) kpc. Ferrers densities as steep as r(exp -3) do not fit the data, but the r(exp -2) and Hernquist models yield excellent fits. We estimate the mass distributions of the stars and the gas and fit the dark matter directly. For a given gas equation of state and functional forms for the visible stars, gas, and dark matter, these models yield a distance-independent and temperature-independent measurement of the ratio of dark mass to stellar mass M(sub DM)/M(sub stars). We estimate a minimum M(sub DM)/M(sub stars) greater than or equal to 4 which corresponds to a total mass slightly greater than that derived from the single-temperature models for distance D = 20h(sub 80) Mpc.

Buote, David A.↗

Water Vapor Sensors Go Sky-High to Assure Aircraft Safety

JPL used a special tunable diode laser, which NASA scientists could tune to different wavelengths, like a radio being tuned to different frequencies, to accurately target specific molecules and detect small traces of gas. This tunable diode laser was designed to emit near-infrared light at wavelengths absorbed by the gas or gases being detected. The light energy being absorbed by the target gas is related to the molecules present. This is usually measured in parts per million or parts per billion. Multiple measurements are made every second, making the system quick to respond to variations in the target gas. NASA scientists developed this technology as part of the 1999 Mars Polar Lander mission to explore the possibility of life-giving elements on Mars. NASA has since used the tunable diode laser-based gas sensor on aircraft and on balloons to successfully study weather and climate, global warming, emissions from aircraft, and numerous other areas where chemical gas analysis is needed. SpectraSensors, Inc., was formed in 1999 as a spinoff company of JPL, to commercialize tunable diode laser-based analyzers for industrial gas-sensing applications (Spinoff 2000). Now, the San Dimas, California-based firm has come back to the market with a new product featuring the NASA-developed instrument for atmospheric monitoring. This instrument is now helping aircraft avoid hazardous weather conditions and enabling the National Weather Service to provide more accurate weather forecasts.

Source record↗

Lunar Prospector: overview

Lunar Prospector is providing a global map of the composition of the moon and analyzing the moon's gravity and magnetic fields. It has been in a polar orbit around the moon since 16 January 1998. Neutron flux data show that there is abundant H, and hence probably abundant water ice, in the lunar polar regions. Gamma-ray and neutron data reveal the distribution of Fe, Ti, and other major and trace elements on the moon. The data delineate the global distributions of a key trace element-rich component of lunar materials called KREEP and of the major rock types. Magnetic mapping shows that the lunar magnetic fields are strong antipodal to Mare Imbrium and Mare Serenitatis and has discovered the smallest known magnetosphere, magnetosheath, and bow shock complex in the solar system. Gravity mapping has delineated seven new gravity anomalies and shown that the moon has a small Fe-rich core of about 300 km radius.

Flight Experiment↗

Constraints on the Composition and Evolution of the Lunar Crust from Meteorite NWA 3163

The lunar meteorite NWA 3163 (paired with NWA 4881, 4483) is a ferroan, feldspathic granulitic breccia characterized by pigeonite, augite, olivine, maskelynite and accessory Tichromite, ilmenite and troilite. Bulk rock geochemical signatures indicate the lack of a KREEP- derived component (Eu/Eu* = 3.47), consistent with previously studied lunar granulites and anorthosites. Bulk rock chondrite-normalized signatures are however distinct from the anorthosites and granulites sampled by Apollo missions and are relatively REE-depleted. In-situ analyses of maskelynite reveal little variation in anorthite content (average An% is 96.9 +/- 1.6, 2 sigma). Olivine is relatively ferroan and exhibits very little variation in forsterite content with mean Fo% of 57.7 +/- 2.0 (2 sigma). The majority of pyroxene is low-Ca pigeonite (En57Fs33Wo10). Augite (En46Fs21Wo33) is less common, comprising approximately 10% of analyzed pyroxene. Two pyroxene thermometry on co-existing orthopyroxene and augite yield an equilibrium temperature of 1070C which is in reasonable agreement with temperatures of 1096C estimated from pigeonite compositions. Rb-Sr isotopic systematics of separated fractions yield an average measured Sr-87/Sr-87 of 0.699282+/-0.000007 (2 sigma). Sr model ages are calculated using a modern day Sr-87/Sr-86 Basaltic Achondrite Best Initial (BABI) value of 0.70475, from an initial BABI value Sr-87/Sr-86 of 0.69891 and a corresponding Rb-87/Sr-97 of 0.08716. The Sr model Thermomechanical analysis (TMA) age, which represents the time of separation of a melt from a source reservoir having chondritic evolution, is 4.56+/-0.1 Ga. A Sr model T(sub RD) age, which is a Rb depletion age and assumes no contribution from Rb in the sample in the calculation, yields 4.34+/-0.1 Ga (i.e. a minimum age). The Ar-Ar dating of paired meteorite NWA 4881 reveals an age of c. 2 Ga, likely representing the last thermal event this meteorite experienced. An older Ar-40/Ar-39 age of c. 3.5 Ga may record the thermal event which produced the granulitic texture. Additional chronological constraints will be provided by Sm-Nd systematics. Ferroan Anorthosites like NWA 3163 have been interpreted to represent direct lunar magma ocean (LMO) crystallization products. If this is the case, trace element concentrations in NWA 3163 primary mineral phases should be in equilibrium with residual LMO liquids present during crystallization of those phases. Results from petrogenetic modeling suggest that the NWA 3163 protolith did not form from crystallization of an initially LREE depleted LMO but rather require an initially chondritic LMO with early garnet crystallization. Furthermore, a two-stage crystallization model where plagioclase crystalized prior to pyroxene (93% vs. 99.5% of LMO crystallization) is implied.

McLeod, C. L.↗

Characterization of Arsenic and Selenium in Coal Fly Ash to Improve Evaluations for Disposal and Reuse Potential (Final Technical Report)

Coal fly ash is a high volume waste material that is discarded in landfills and surface water impoundments across the U.S. and is also widely recycled for a variety of applications. The leaching of potential of contaminants of concern, such as arsenic (As) and selenium (Se), is often the driver of risk assessments for coal ash disposal and reuse. The extent of leachable As and Se depends on several factors related to environmental conditions and fly ash characteristics. Previous studies employed various methods to delineate the concentration, chemical form, and distribution of As and Se in fly ash materials. However, few studies have attempted to directly correlate these properties to mobilization parameters relevant to disposal and reuse. Instead, the coal residuals industries often rely upon standardized leaching protocols that can be laborious or involve hazardous chemicals. The goals of the project were to: 1) Develop and evaluate a characterization protocol that can be used to screen fly ash samples for leachability of As and Se; 2) Characterize As, Se, and associated constituents of fly ash particles at multiple length scales (nanometer to micrometer) to determine if elemental associations differ as a function of the resolution of characterization; and 3) Establish a predictive model for the chemical composition of coal ash produced annually at major U.S. coal fired power facilities on 50-year national coal supply records. For the first objective, we performed leaching experiments with 52 fly ash samples collected from 15 different U.S. power plants and representing coal feedstocks from the three major domestic coal regions. For this work, we assessed the mobilization potential of As and Se in fly ash based on standardized leaching protocols and performed multivariate and lasso regression analyses to explore correlations of leachable As and Se contents with characteristics such as major element contents, loss on ignition (LOI) and pH. The results of regression models indicated that major elements (Fe, Ca, Al) for a wide range of fly ashes can serve as predictor variables for the leaching potential of As, but not for Se. LOI and pH were not important predictive variables in the models. Both regression approaches resulted in relatively strong fits for leachable As (correlation coefficient R 2 = 0.78 for both models) compared to models for leachable Se (R 2 = 0.49). Overall, these results suggest that correlation models combined with on-site elemental analysis with portable analyzers may enable a screening method for leachable As in coal ash. For the second objective, we utilized nanoscale 2-D imaging (30-50 nm spot size) with the Hard X-ray Nanoprobe (HXN) in combination with microprobe X-ray capabilities (~5 µm resolution) to determine As and Se elemental associations in fly ash particles. Speciation of As and Se was also measured at the nano- to microscale with X-ray absorption spectroscopy. The enhanced resolution of HXN showed As and Se that were diffusely located around or comingled with Ca- and Fe-rich particles. The results also showed nanoparticles of Se attached to the surface of fly ash grains. Overall, a comparison of As and Se species across scales highlights the heterogeneity and complexity of chemical associations for these trace elements of concern in coal fly ash. For the final objective, we developed a predictive model for major element composition of coal ash in reserve at disposal sites of major U.S. coal fired power plants. This model was constructed from coal purchase records of 705 power stations from 1973-2022 and was trained on coal ash composition data showing that coal ash elemental composition is strongly associated with the source of feedstock coal. The model showed regional shifts in the major element contents of ash produced by power plants in the last 50 years, particularly for calcium and iron (expressed as %CaO and %Fe 2 O 3 ), as coal-fired power stations changed their source of coal over this time frame. Our approach enables an estimation of coal ash chemical composition that is stored in waste impoundments at individual power stations. Such information can help delineate the regional market potential for material applications that would utilize coal ash harvested from disposal sites across the U.S.

01 COAL, LIGNITE, AND PEAT↗

The constitution of the atmospheric layers and the extreme ultraviolet spectrum of hot hydrogen-rich white dwarfs

An analysis is presented of the atmospheric properties of hot, H-rich, DA white dwarfs that is based on optical, UV, and X-ray observations aimed at predicting detailed spectral properties of these stars in the range 80-800 A. The divergences between observations from a sample of 15 hot DA white dwarfs emitting in the EUV/soft X-ray range and pure H synthetic spectra calculated from a grid of model atmospheres characterized by Teff and g are examined. Seven out of 15 DA stars are found to consistently exhibit pure hydrogen atmospheres, the remaining seven stars showing inconsistency between FUV and EUV/soft X-ray data that can be explained by the presence of trace EUV/soft X-ray absorbers. Synthetic data are computed assuming two other possible chemical structures: photospheric traces of radiatively levitated heavy elements and a stratified hydrogen/helium distribution. Predictions about forthcoming medium-resolution observations of the EUV spectrum of selected hot H-rich white dwarfs are made.

Vennes, Stephane↗

Theoretical studies on flapped delta wings

The effects of leading edge flaps on the aerodynamic characteristics of a low aspect-ratio delta wing are studied theoretically. As an extension of the classical crossflow plane analysis and in order to include separated shear layers, an analogy between three dimensional steady conical and two dimensional unsteady self-similar flows is explored. This analogy provides a simple steady-unsteady relationship. The criteria for the validity of the steady-unsteady analogy are also examined. Two different theoretical techniques are used to represent the separated shear layers based on the steady-unsteady analogy, neglecting the trailing edge effect. In the first approach, each vortex system is represented by a pair of concentrated vortices connected to the separation points by straight feeding sheets. In the second approach, the vortex cloud method is adopted for simulating the flow field in the crossflow plane. The separated shear layers are replaced with a cloud of discrete vortices and the boundary element method is employed to represent the wing trace by a vorticity distribution. A simple merging scheme is used to model the core region of the vortical flow as a single vortex by imposing a restriction on the shear layer rotation angle. The results are compared with experiments and with results from 3-D panel calculations.

Oh, S.↗

Design workflow of a symmetric traveling wave antenna for fast ion production on DD tokamaks

Initial computational plasma physics scoping and a finite element method antenna modeling design workflow for a symmetric center-fed high-field side high harmonic fast wave traveling wave array (TWA) antenna are reported here. The TWA is designed to generate a test population of fast deuterium ions in an existing D–D tokamak by heating neutral beam deuterium ions, accelerating them from 80 keV to several hundred keV. The resulting fast particles are tailored to mimic key reactor energetic particle parameters with regards to exciting Alfven eigenmode instabilities, allowing for a D–D tokamak like DIII-D or ASDEX-U to replicate reactor-relevant conditions experimentally. Initial scenario scoping for high single-pass absorption as well as good preferential fast ion damping relative to electron damping was completed using the ray-tracing/Fokker–Planck codes GENRAY and CQL3D. Python RF network analysis packages were used to create a custom TWA optimization tool to inform a COMSOL flat antenna design, and Petra-M was used to study cold plasma effects. The TWA produced by this workflow has several novel features when compared to previous TWA studies, including symmetric center feeding, and passive end straps for image current cancellation for reduced impurity production. We show here that the antenna design workflow can readily produce TWA antennas optimized for reflection coefficient, image current cancellation, and launched power spectrum shape; and that a population of fast ions can be generated in the correct region of parameter space, warranting future more detailed studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Postseismic deformation due to subcrustal viscoelastic relaxation following dip-slip earthquakes

The deformation of the earth following a dip-slip earthquake is calculated using a three layer rheological model and finite element techniques. The three layers are an elastic upper lithosphere, a standard linear solid lower lithosphere, and a Maxwell viscoelastic asthenosphere - a model previously analyzed in the strike-clip case (Cohen, 1981, 1982). Attention is focused on the magnitude of the postseismic subsidence and the width of the subsidence zone that can develop due to the viscoelastic response to coseismic reverse slip. Detailed analysis for a fault extending from the surface to 15 km with a 45 deg dip reveals that postseismic subsidence is sensitive to the depth to the asthenosphere but is only weakly dependent on lower lithosphere depth. The greatest subsidence occurs when the elastic lithosphere is about 30 km thick and the asthenosphere lies just below this layer (asthenosphere depth = 2 times the fault depth). The extremum in the subsidence pattern occurs at about 5 km from the surface trace of the fault and lies over the slip plane. In a typical case after a time t = 30 tau (tau = Maxwell time) following the earthquake, the subsidence at this point is 60 percent of the coseismic uplift. Unlike the horizontal deformation following a strike slip earthquake, significant vertical deformation due to asthenosphere flow persists for many times tau and the magnitude of the vertical deformation is not necessarily enhanced by having a partially relaxing lower lithosphere. Previously announced in STAR as N83-13683

Cohen, S. C.↗

Postseismic deformation due to subcrustal viscoelastic relaxation following dip-slip earthquakes

The deformation of the Earth following a dip-slip earthquake is calculated using a three layer rheological model and finite element techniques. The three layers are an elastic upper lithosphere, a standard linear solid lower lithosphere, and a Maxwell viscoelastic asthenosphere-a model previously analyzed in the strike-clip case (Cohen, 1981, 1982). Attention is focused on the magnitude of the postseismic subsidence and the width of the subsidence zone that can develop due to the viscoelastic response to coseismic reverse slip. Detailed analysis for a fault extending from the surface to 15 km with a 45 deg dip reveals that postseismic subsidence is sensitive to the depth to the asthenosphere but is only weakly dependent on lower lithosphere depth. The greatest subsidence occurs when the elastic lithosphere is about 30 km thick and the asthenosphere lies just below this layer (asthenosphere depth = 2 times the fault depth). The extremum in the subsidence pattern occurs at about 5 km from the surface trace of the fault and lies over the slip plane. In a typical case after a time t = 30 tau (tau = Maxwell time) following the earthquake the subsidence at this point is 60% of the coseismic uplift. Unlike the horizontal deformation following a strike slip earthquake, significant vertical deformation due to asthenosphere flow persists for many times tau and the magnitude of the vertical deformation is not necessarily enhanced by having a partially relaxing lower lithosphere.

Cohen, S. C.↗

The THS Experiment: Simulating Titans Atmospheric Chemistry at Low Temperature (200K)

In Titan's atmosphere, composed mainly of N2 (95-98%) and CH4 (2-5%), a complex chemistry occurs at low temperature, and leads to the production of heavy organic molecules and subsequently solid aerosols. Here, we used the Titan Haze Simulation (THS) experiment, an experimental setup developed at the NASA Ames COSmIC simulation facility to study Titan's atmospheric chemistry at low temperature. In the THS, the chemistry is simulated by plasma in the stream of a supersonic expansion. With this unique design, the gas is cooled to Titan-like temperature ( approximately 150K) before inducing the chemistry by plasma, and remains at low temperature in the plasma discharge (approximately 200K). Different N2-CH4-based gas mixtures can be injected in the plasma, with or without the addition of heavier precursors present as trace elements on Titan, in order to monitor the evolution of the chemical growth. Both the gas- and solid phase products resulting from the plasma-induced chemistry can be monitored and analyzed using a combination of complementary in situ and ex situ diagnostics. A recent mass spectrometry[1] study of the gas phase has demonstrated that the THS is a unique tool to probe the first and intermediate steps of Titan's atmospheric chemistry at Titan-like temperature. In particular, the mass spectra obtained in a N2-CH4-C2H2-C6H6 mixture are relevant for comparison to Cassini's CAPS-IBS instrument. The results of a complementary study of the solid phase are consistent with the chemical growth evolution observed in the gas phase. Grains and aggregates form in the gas phase and can be jet deposited on various substrates for ex situ analysis. Scanning Electron Microscopy images show that more complex mixtures produce larger aggregates. A mass spectrometry analysis of the solid phase has detected the presence of aminoacetonitrile, a precursor of glycine, in the THS aerosols. X-ray Absorption Near Edge Structure (XANES) measurements also show the presence of imine and nitrile functional groups, showing evidence of nitrogen chemistry. These complementary studies show the high potential of THS to better understand Titan's chemistry and the origin of aerosol formation.

Laboratory↗

The Abundance and Isotopic Composition of Hg in Extraterrestrial Materials

During the past three year grant period we made excellent progress in our study of the abundances and isotopic compositions of Hg and other volatile trace elements in extraterrestrial materials. As part of my startup package I received funds to construct a state-of-the-art experimental facility to study gas-solid reaction kinetics. Much of our effort was spent developing the methodology to measure the abundance and isotopic composition of Hg at ultratrace levels in solid materials. In our first study, the abundance and isotopic composition of Hg was determined in bulk samples of the Murchison (CM) and Allende (CV) carbonaceous chondrites. We have continued our study of mercury in primitive meteorites and expanded the suite of meteorites to include other members of the CM and CV chondrite group as well as CI and CO chondrites. Samples of the CI chondrite Orgueil, the CM chondrites Murray, Nogoya, and Cold Bokkeveld, the CO chondrites Kainsaz, Omans, and Isna, and the CV chondrites Vigarano, Mokoia, and Grosnaja were tested. We have developed a thermal analysis ICP-MS technique and applied it to the study of a suite of thermally labile elements (Zn, As, Se, Cd, In, Sn, Sb, Te, Hg, Au, Tl, Pb, and Bi) in geologic materials as well.

Lauretta, D. S.↗

A three-dimensional laser ray-tracing methodology for radiation-hydrodynamics simulations

We report on a methodology for performing laser ray-tracing in three spatial dimensions for radiation-hydrodynamics simulation codes. Our method, which is an extension of that developed in Haines et al., Comput. Fluids 201, 104478 (2020), utilizes an automatically generated separate mesh for the laser ray-tracing from the radiation-hydrodynamics mesh. This enables the laser mesh to be tailored to minimize ray noise with significantly fewer rays than would be required when the ray-tracing is performed on the radiation-hydrodynamics mesh, primarily by allowing the use of high-aspect-ratio cells that are not suitable for hydrodynamics solvers. For a planar target, we show that our method provides a ≈ 100× reduction in computational expense to achieve a fixed level of ray noise relative to ray-tracing directly on the radiation-hydrodynamics mesh. The relatively low ray requirement also enables efficient computation of cross-beam energy transfer. Each cell in the logically cubic laser mesh is a non-convex dodecahedron with triangular sides, and numerical integration of the ray trajectories and inverse bremsstrahlung is performed by mapping each cell to the unit cube. We will describe our methodology in detail as well as its implementation in the xRAGE radiation-hydrodynamics code, discuss performance, and present the results from applying the methodology to test problems with analytic solutions for laser ray-tracing through a quadratic density gradient with an analytic solution as well as for a laser-driven heat front. In 3D radiation-hydrodynamics simulations of laser-driven experiments performed on the National Ignition Facility, laser ray-tracing with our methodology uses less than 1% of total computational time while introducing acceptably low levels of ray noise.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A survey study on arsenic speciation in coal fly ash and insights into the role of coal combustion conditions

Coal fly ashes (CFAs) are the low-density byproducts of the coal combustion process. Improper or uncontrolled CFA disposal poses significant environmental and health concerns due to the potential leaching of toxic heavy metals such as arsenic (As). Previous studies have investigated the content and speciation of As in different CFA samples, yet systematic information on As speciation in CFA with representative coal source and combustion conditions is still missing. Based on a recent survey study on the typical coal sources and combustion conditions across the U.S., this study selected 19 representative CFA samples to systematically investigate As speciation and potential correlations with these parameters. The composition, morphology, mineralogy, and As speciation of these CFA samples were characterized by complementary analytical, microscopic, and spectroscopic techniques. Synchrotron X-ray spectroscopy and microscopy analyses revealed the dominant As oxidation state to be As(V) and with strong associations to Ca, with the exception of 3 samples that had 19–51% As(III), likely due to the use of selective catalytic reduction (SCR) process. Principal component analysis was conducted to identify potential correlations of As concentration and oxidation state with parameters such as major element content, loss on ignition (LOI), average particle size, coal source, and combustion condition. Al 2 O 3 and FeO content were found to capture a majority of the variability. Further, results from this study provide fundamental basis for understanding the correlations between coal source, combustion conditions, CFA characteristics, and As speciation, and providing insights for downstream beneficial utilization or disposal management.

01 COAL, LIGNITE, AND PEAT↗