Science.gov

Sample records for 3-d atmospheric chemical

  1. Atmospheric Nitrogen Trifluoride: Optimized emission estimates using 2-D and 3-D Chemical Transport Models from 1973-2008

    NASA Astrophysics Data System (ADS)

    Ivy, D. J.; Rigby, M. L.; Prinn, R. G.; Muhle, J.; Weiss, R. F.

    2009-12-01

    We present optimized annual global emissions from 1973-2008 of nitrogen trifluoride (NF3), a powerful greenhouse gas which is not currently regulated by the Kyoto Protocol. In the past few decades, NF3 production has dramatically increased due to its usage in the semiconductor industry. Emissions were estimated through the 'pulse-method' discrete Kalman filter using both a simple, flexible 2-D 12-box model used in the Advanced Global Atmospheric Gases Experiment (AGAGE) network and the Model for Ozone and Related Tracers (MOZART v4.5), a full 3-D atmospheric chemistry model. No official audited reports of industrial NF3 emissions are available, and with limited information on production, a priori emissions were estimated using both a bottom-up and top-down approach with two different spatial patterns based on semiconductor perfluorocarbon (PFC) emissions from the Emission Database for Global Atmospheric Research (EDGAR v3.2) and Semiconductor Industry Association sales information. Both spatial patterns used in the models gave consistent results, showing the robustness of the estimated global emissions. Differences between estimates using the 2-D and 3-D models can be attributed to transport rates and resolution differences. Additionally, new NF3 industry production and market information is presented. Emission estimates from both the 2-D and 3-D models suggest that either the assumed industry release rate of NF3 or industry production information is still underestimated.

  2. An in-depth spectroscopic examination of molecular bands from 3D hydrodynamical model atmospheres. II. Carbon-enhanced metal-poor 3D model atmospheres

    NASA Astrophysics Data System (ADS)

    Gallagher, A. J.; Caffau, E.; Bonifacio, P.; Ludwig, H.-G.; Steffen, M.; Homeier, D.; Plez, B.

    2017-02-01

    Context. Tighter constraints on metal-poor stars we observe are needed to better understand the chemical processes of the early Universe. Computing a stellar spectrum in 3D allows one to model complex stellar behaviours, which cannot be replicated in 1D. Aims: We examine the effect that the intrinsic CNO abundances have on a 3D model structure and the resulting 3D spectrum synthesis. Methods: Model atmospheres were computed in 3D for three distinct CNO chemical compositions using the CO5BOLD model atmosphere code, and their internal structures were examined. Synthetic spectra were computed from these models using Linfor3D and they were compared. New 3D abundance corrections for the G-band and a selection of UV OH lines were also computed. Results: The varying CNO abundances change the metal content of the 3D models. This had an effect on the model structure and the resulting synthesis. However, it was found that the C/O ratio had a larger effect than the overall metal content of a model. Conclusions: Our results suggest that varying the C/O ratio has a substantial impact on the internal structure of the 3D model, even in the hot turn-off star models explored here. This suggests that bespoke 3D models, for specific CNO abundances should be sought. Such effects are not seen in 1D at these temperature regimes.

  3. MPSalsa 3D Simulations of Chemically Reacting Flows

    DOE Data Explorer

    Many important scientific and engineering applications require a detailed analysis of complex systems with coupled fluid flow, thermal energy transfer, mass transfer and nonequilibrium chemical reactions. Currently, computer simulations of these complex reacting flow problems are limited to idealized systems in one or two spatial dimensions when coupled with a detailed, fundamental chemistry model. The goal of our research is to develop, analyze and implement advanced MP numerical algorithms that will allow high resolution 3D simulations with an equal emphasis on fluid flow and chemical kinetics modeling. In our research, we focus on the development of new, fully coupled, implicit solution strategies that are based on robust MP iterative solution methods (copied from http://www.cs.sandia.gov/CRF/MPSalsa/). These simulations are needed for scientific and technical areas such as: combustion research for transportation, atmospheric chemistry modeling for pollution studies, chemically reacting flow models for analysis and control of manufacturing processes, surface catalytic reactors for methane to methanol conversion and chemical vapor deposition (CVD) process modeling for production of advanced semiconductor materials (http://www.cs.sandia.gov/CRF/MPSalsa/).

    This project website provides six QuickTime videos of these simulations, along with a small image gallery and slideshow animations. A list of related publications and conference presentations is also made available.

  4. 3D printing of versatile reactionware for chemical synthesis.

    PubMed

    Kitson, Philip J; Glatzel, Stefan; Chen, Wei; Lin, Chang-Gen; Song, Yu-Fei; Cronin, Leroy

    2016-05-01

    In recent decades, 3D printing (also known as additive manufacturing) techniques have moved beyond their traditional applications in the fields of industrial manufacturing and prototyping to increasingly find roles in scientific research contexts, such as synthetic chemistry. We present a general approach for the production of bespoke chemical reactors, termed reactionware, using two different approaches to extrusion-based 3D printing. This protocol describes the printing of an inert polypropylene (PP) architecture with the concurrent printing of soft material catalyst composites, using two different 3D printer setups. The steps of the PROCEDURE describe the design and preparation of a 3D digital model of the desired reactionware device and the preparation of this model for use with fused deposition modeling (FDM) type 3D printers. The protocol then further describes the preparation of composite catalyst-silicone materials for incorporation into the 3D-printed device and the steps required to fabricate a reactionware device. This combined approach allows versatility in the design and use of reactionware based on the specific needs of the experimental user. To illustrate this, we present a detailed procedure for the production of one such reactionware device that will result in the production of a sealed reactor capable of effecting a multistep organic synthesis. Depending on the design time of the 3D model, and including time for curing and drying of materials, this procedure can be completed in ∼3 d.

  5. 2D-3D MIGRATION AND CONFORMATIONAL MULTIPLICATION OF CHEMICALS IN LARGE CHEMICAL INVENTORIES

    EPA Science Inventory

    Chemical interactions are three-dimensional (3D) in nature and require modeling chemicals as 3D entities. In turn, using 3D models of chemicals leads to the realization that a single 2D structure can have hundreds of different conformations, and the electronic properties of these...

  6. 3D model atmospheres and the solar photospheric oxygen abundance

    NASA Astrophysics Data System (ADS)

    Caffau, E.; Ludwig, H.-G.

    2008-10-01

    In recent years the photospheric solar oxygen abundance experienced a significant downward revision. However, a low photospheric abundance is incompatible with the value in the solar interior inferred from helioseismology. For contributing to the dispute whether the solar oxygen abundance is “high” or “low”, we re-derived its photospheric abundance independently of previous analyses. We applied 3D (CO5BOLD) as well as 1D model atmospheres. We considered standard disc-centre and disc-integrated spectral atlases, as well as newly acquired solar intensity spectra at different heliocentric angles. We determined the oxygen abundances from equivalent width and/or line profile fitting of a number of atomic lines. As preliminary result, we find an oxygen abundance in the range 8.73 8.79, encompassing the value obtained by Holweger (2001), and somewhat higher than the value obtained by Asplund et al. (2005).

  7. Cold atmospheric plasma (CAP) surface nanomodified 3D printed polylactic acid (PLA) scaffolds for bone regeneration.

    PubMed

    Wang, Mian; Favi, Pelagie; Cheng, Xiaoqian; Golshan, Negar H; Ziemer, Katherine S; Keidar, Michael; Webster, Thomas J

    2016-12-01

    Three-dimensional (3D) printing is a new fabrication method for tissue engineering which can precisely control scaffold architecture at the micron-scale. However, scaffolds not only need 3D biocompatible structures that mimic the micron structure of natural tissues, they also require mimicking of the nano-scale extracellular matrix properties of the tissue they intend to replace. In order to achieve this, the objective of the present in vitro study was to use cold atmospheric plasma (CAP) as a quick and inexpensive way to modify the nano-scale roughness and chemical composition of a 3D printed scaffold surface. Water contact angles of a normal 3D printed poly-lactic-acid (PLA) scaffold dramatically dropped after CAP treatment from 70±2° to 24±2°. In addition, the nano-scale surface roughness (Rq) of the untreated 3D PLA scaffolds drastically increased (up to 250%) after 1, 3, and 5min of CAP treatment from 1.20nm to 10.50nm, 22.90nm, and 27.60nm, respectively. X-ray photoelectron spectroscopy (XPS) analysis showed that the ratio of oxygen to carbon significantly increased after CAP treatment, which indicated that the CAP treatment of PLA not only changed nano-scale roughness but also chemistry. Both changes in hydrophilicity and nano-scale roughness demonstrated a very efficient plasma treatment, which in turn significantly promoted both osteoblast (bone forming cells) and mesenchymal stem cell attachment and proliferation. These promising results suggest that CAP surface modification may have potential applications for enhancing 3D printed PLA bone tissue engineering materials (and all 3D printed materials) in a quick and an inexpensive manner and, thus, should be further studied.

  8. 3D Chemical and Elemental Imaging by STXM Spectrotomography

    SciTech Connect

    Wang, J.; Karunakaran, C.; Lu, Y.; Hormes, J.; Hitchcock, A. P.; Prange, A.; Franz, B.; Harkness, T.; Obst, M.

    2011-09-09

    Spectrotomography based on the scanning transmission x-ray microscope (STXM) at the 10ID-1 spectromicroscopy beamline of the Canadian Light Source was used to study two selected unicellular microorganisms. Spatial distributions of sulphur globules, calcium, protein, and polysaccharide in sulphur-metabolizing bacteria (Allochromatium vinosum) were determined at the S 2p, C 1s, and Ca 2p edges. 3D chemical mapping showed that the sulphur globules are located inside the bacteria with a strong spatial correlation with calcium ions (it is most probably calcium carbonate from the medium; however, with STXM the distribution and localization in the cell can be made visible, which is very interesting for a biologist) and polysaccharide-rich polymers, suggesting an influence of the organic components on the formation of the sulphur and calcium deposits. A second study investigated copper accumulating in yeast cells (Saccharomyces cerevisiae) treated with copper sulphate. 3D elemental imaging at the Cu 2p edge showed that Cu(II) is reduced to Cu(I) on the yeast cell wall. A novel needle-like wet cell sample holder for STXM spectrotomography studies of fully hydrated samples is discussed.

  9. 3D Chemical and Elemental Imaging by STXM Spectrotomography

    NASA Astrophysics Data System (ADS)

    Wang, J.; Hitchcock, A. P.; Karunakaran, C.; Prange, A.; Franz, B.; Harkness, T.; Lu, Y.; Obst, M.; Hormes, J.

    2011-09-01

    Spectrotomography based on the scanning transmission x-ray microscope (STXM) at the 10ID-1 spectromicroscopy beamline of the Canadian Light Source was used to study two selected unicellular microorganisms. Spatial distributions of sulphur globules, calcium, protein, and polysaccharide in sulphur-metabolizing bacteria (Allochromatium vinosum) were determined at the S 2p, C 1s, and Ca 2p edges. 3D chemical mapping showed that the sulphur globules are located inside the bacteria with a strong spatial correlation with calcium ions (it is most probably calcium carbonate from the medium; however, with STXM the distribution and localization in the cell can be made visible, which is very interesting for a biologist) and polysaccharide-rich polymers, suggesting an influence of the organic components on the formation of the sulphur and calcium deposits. A second study investigated copper accumulating in yeast cells (Saccharomyces cerevisiae) treated with copper sulphate. 3D elemental imaging at the Cu 2p edge showed that Cu(II) is reduced to Cu(I) on the yeast cell wall. A novel needle-like wet cell sample holder for STXM spectrotomography studies of fully hydrated samples is discussed.

  10. Pluto: Modeling of 3-D Atmosphere-Surface Interactions

    NASA Astrophysics Data System (ADS)

    Michaels, Timothy I.

    2015-11-01

    Atmosphere-surface interactions on Pluto are of great importance to creating and maintaining the atmospheric variations and heterogeneous surface that have been observed by New Horizons and two decades' prior work. Publicly released images/data from New Horizons contain numerous fascinating surface features and constrasts. Insights into their origin, maintenance, and/or evolution may be gleaned through multidisciplinary climate modeling. Some results from such modeling will be presented, with an emphasis on shorter-timescale interactions.

  11. 3D Atmospheric Circulation of Warm and Hot Jupiters

    NASA Astrophysics Data System (ADS)

    Showman, Adam P.; Lewis, Nikole K.; Fortney, Jonathan J.

    2015-03-01

    Efforts to characterize extrasolar giant planet (EGP) atmospheres have so far emphasized planets within 0.05 AU of their stars. Despite this focus, known EGPs populate a continuum of orbital separations from canonical hot Jupiter values (0.03-0.05 AU) out to 1 AU and beyond. Unlike typical hot Jupiters, these more distant EGPs will not generally be synchronously rotating. In anticipation of observations of this population, we here present three-dimensional atmospheric circulation models exploring the dynamics that emerge over a broad range of rotation rates and incident stellar fluxes appropriate for warm and hot Jupiters. We find that the circulation resides in one of two basic regimes. On typical hot Jupiters, the strong day-night heating contrast leads to a broad, fast superrotating (eastward) equatorial jet and large day-night temperature differences. At faster rotation rates and lower incident fluxes, however, the day-night heating gradient becomes less important, and baroclinic instabilities emerge as a dominant player, leading to eastward jets in the midlatitudes, minimal temperature variations in longitude, and, often, weak winds at the equator. Our most rapidly rotating and least irradiated models exhibit similarities to Jupiter and Saturn, illuminating the dynamical continuum between hot Jupiters and the weakly irradiated giant planets of our own solar system. We present infrared (IR) light curves and spectra of these models, which depend significantly on incident flux and rotation rate. This provides a way to identify the regime transition in future observations. In some cases, IR light curves can provide constraints on the rotation rate of nonsynchronously rotating planets.

  12. Ozone Measurements and a 3D Chemical Transport Model

    NASA Technical Reports Server (NTRS)

    Stolarski, Richard S.; Douglass, Anne R.; Frith, Stacey; Steenrod, Steven; Polansky, Brian

    2004-01-01

    We have used our three-dimensional chemical transport model (CTM) to calculate the expected reponse of stratospheric composition over the past 30 years to forcing by chlorine and bromine compounds, solar ultraviolet, and volcanic aerosols. The CTM uses off-line winds and temperatures fiom a 50-year run of the finite volume general circulation model (FVGCM). We compare the total column ozone and the ozone profile fiom the CTM output to a variety of data sources. These include a merged total ozone data set from TOMS and SBUV using the new version 8 algorithm. Total ozone fiom the CTM are compared to ground-station measurements of total ozone at specific locations. Ozone profiles are compared to satellite meausrements fiom SBUV, SAGE, and HALOE. Profiles are also compared to ozonesondes over several locations. The results of the comparisons are quantified by using a time-series statistical analysis to determine trends, solar cycle, and volcanic reponse in both the model and in the data. Initial results indicate that the model responds to forcings in a way that is similar to the observed atmospheric response. The model does seem to be more sensitive to the chlorine and bromine perturbation ihan is the data. Further details and comparisons wiii be discussed.

  13. 3D MODEL ATMOSPHERES FOR EXTREMELY LOW-MASS WHITE DWARFS

    SciTech Connect

    Tremblay, P.-E.; Gianninas, A.; Kilic, M.; Ludwig, H.-G.; Steffen, M.; Freytag, B.; Hermes, J. J.

    2015-08-20

    We present an extended grid of mean three-dimensional (3D) spectra for low-mass, pure-hydrogen atmosphere DA white dwarfs (WDs). We use CO5BOLD radiation-hydrodynamics 3D simulations covering T{sub eff} = 6000–11,500 K and log g = 5–6.5 (g in cm s{sup −2}) to derive analytical functions to convert spectroscopically determined 1D temperatures and surface gravities to 3D atmospheric parameters. Along with the previously published 3D models, the 1D to 3D corrections are now available for essentially all known convective DA WDs (i.e., log g = 5–9). For low-mass WDs, the correction in temperature is relatively small (a few percent at the most), but the surface gravities measured from the 3D models are lower by as much as 0.35 dex. We revisit the spectroscopic analysis of the extremely low-mass (ELM) WDs, and demonstrate that the 3D models largely resolve the discrepancies seen in the radius and mass measurements for relatively cool ELM WDs in eclipsing double WD and WD + millisecond pulsar binary systems. We also use the 3D corrections to revise the boundaries of the ZZ Ceti instability strip, including the recently found ELM pulsators.

  14. Effects of Scattering on the Temperature Stratification in 3D Model Atmospheres of Late-Type Stars

    NASA Astrophysics Data System (ADS)

    Collet, R.; Hayek, W.; Asplund, M.

    2011-12-01

    Three-dimensional (3D) radiative hydrodynamic model atmospheres of metal-poor late-type stars predict cooler upper photospheric stratifications than their one-dimensional (1D) counterparts. This property of 3D model atmospheres affects the determination of elemental abundances from temperature-sensitive spectral features, with important consequences for galactic chemical evolution studies. In this contribution, we investigate the impact of different approximations of scattering in the solution of the radiative transfer equation on the temperature stratification of 3D model atmospheres of metal-poor red giants. We use the BIFROST code to construct 3D model atmospheres of metal-poor red giants using three different approximations of scattering. First, we self-consistently solve the radiative transfer equation for the general case of a source function with a coherent scattering term; second, we solve the radiative transfer equation assuming a Planckian source function and neglecting altogether the contribution of continuum scattering to extinction in the optically thin layers; third, we assume a Planckian source function and treat continuum scattering as pure absorption everywhere in the simulation's domain. We find that the second approach produces very similar temperature structures with cool upper photospheric layers as when treating scattering correctly, and at a much lower computational cost. In contrast, treating scattering as pure absorption leads to significantly hotter and shallower temperature stratifications.

  15. The Stagger-grid: A grid of 3D stellar atmosphere models. IV. Limb darkening coefficients

    NASA Astrophysics Data System (ADS)

    Magic, Z.; Chiavassa, A.; Collet, R.; Asplund, M.

    2015-01-01

    Aims: We compute the emergent stellar spectra from the UV to far infrared for different viewing angles using realistic 3D model atmospheres for a large range in stellar parameters to predict the stellar limb darkening. Methods: We have computed full 3D LTE synthetic spectra based on 3D radiative hydrodynamic atmosphere models from the Stagger-grid in the ranges: Teff from 4000 to 7000 K, log g from 1.5 to 5.0, and [Fe/H], from -4.0 to +0.5. From the resulting intensities, we derived coefficients for the standard limb darkening laws considering a number of often-used photometric filters. Furthermore, we calculated theoretical transit light curves, in order to quantify the differences between predictions by the widely used 1D model atmosphere and our 3D models. Results: The 3D models are often found to predict steeper darkening towards the limb compared to the 1D models, mainly due to the temperature stratifications and temperature gradients being different in the 3D models compared to those predicted with 1D models based on the mixing length theory description of convective energy transport. The resulting differences in the transit light curves are rather small; however, these can be significant for high-precision observations of extrasolar transits, and are able to lower the residuals from the fits with 1D limb darkening profiles. Conclusions: We advocate the use of the new limb darkening coefficients provided for the standard four-parameter non-linear power law, which can fit the limb darkening more accurately than other choices. Full Table A.1 and the grid of spectra are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/573/A90, as well as at http://www.stagger-stars.net

  16. A study on radiative transfer effects in 3-D cloudy atmosphere using satellite data

    NASA Astrophysics Data System (ADS)

    Okata, M.; Nakajima, T.; Suzuki, K.; Inoue, T.; Nakajima, T. Y.; Okamoto, H.

    2017-01-01

    This study evaluates 3-D cloud effects on the radiation budget with a combined use of active sensor cloud profiling radar/CloudSat and imager Moderate Resolution Imaging Spectroradiometer/Aqua data on the A-train. An algorithm is devised for constructing 3-D cloud fields based on satellite-observed cloud information. The 3-D cloud fields thus constructed are used to calculate the broadband solar and thermal radiative fluxes with a 3-D radiative transfer code developed by the authors. The aim of this study is to investigate the effects of cloud morphology on solar radiative transfer in cloudy atmosphere. For this purpose, 3-D cloud fields are constructed with the new satellite-based method, to which full 3D-RT (radiative transfer) simulations are applied. The simulated 3-D radiation fields are then used to examine and quantify errors of existing typical plane-parallel approximations, i.e., Plane-Parallel Approximation, Independent Pixel Approximation and Tilted Independent Pixel Approximation. Such 3D-RT simulations also serve to address another objective of this study, i.e., to devise an accurate approximation and to characterize the observed specific 3D-RT effects by the cloud morphology based on knowledge of idealized 3D-RT effects. We introduce a modified approach based on an optimum value of diffusivity factor to better approximate the radiative fluxes for arbitrary solar zenith angle determined from the results of 3-D radiative transfer simulations to redeem the overcorrections of these approximations for large solar zenith angles (SZAs). This new approach, called Slant path Independent Pixel Approximation, is found to be better than other approximations when SZA is large for some cloud cases. Based on the SZA dependence of the errors of these approximations relative to 3-D computations, satellite-observed real cloud cases are found to fall into either of three types of different morphologies, i.e., isolated cloud type, upper cloud-roughened type and lower

  17. 3-D QSARS FOR RANKING AND PRIORITIZATION OF LARGE CHEMICAL DATASETS: AN EDC CASE STUDY

    EPA Science Inventory

    The COmmon REactivity Pattern (COREPA) approach is a three-dimensional structure activity (3-D QSAR) technique that permits identification and quantification of specific global and local steroelectronic characteristics associated with a chemical's biological activity. It goes bey...

  18. NEW 3D TECHNIQUES FOR RANKING AND PRIORITIZATION OF CHEMICAL INVENTORIES

    EPA Science Inventory

    New three-dimensional quantitative structure activity (3-D QSAR) techniques for prioritizing chemical inventories for endocrine activity will be presented. The Common Reactivity Pattern (COREPA) approach permits identification of common steric and/or electronic patterns associate...

  19. EISCAT 3D: A European three-dimensional imaging radar for atmospheric and geospace research

    NASA Astrophysics Data System (ADS)

    McCrea, Ian; Turunen, Esa

    2010-05-01

    (This talk is given on behalf of the EISCAT Scientific Association and the EISCAT_3D Design Team) EISCAT_3D is a new kind of three-dimensional imaging radar for high-latitude atmosphere and geospace studies, located in northern Scandinavia. The facility will consist of multiple large phased-array antenna transmitters/receivers in three countries, comprising some 100 000 individual antenna elements. The new radars will measure from the upper stratosphere to the magnetosphere and beyond, contributing to the basic, environmental and applied science that underpins the use of space by contemporary society. EISCAT_3D's capabilities go beyond anything currently available to the international research community, and will form a significant enhancement to the European Research area. Located in the auroral zone, at the edge of the northern polar vortex, EISCAT_3D will provide long-term continuous data for scientists studying global change, measuring the effects of man-made and natural variability on the middle and upper atmosphere. Its observations will underpin space weather prediction and monitoring, essential for operation and improved service of European space assets. In addition, EISCAT_3D will facilitate studies of solar system influences, such as solar wind, meteors, dust, energetic particles and cosmic rays. This will be done in collaboration with other research infrastructures, including the upper atmosphere programme of the SIOS proposal, focusing on observations made from Svalbard. The importance of EISCAT_3D has been recognised by its place on the ESFRI roadmap of future European Research facilities. The project has already gone through a four-year design study, funded by the European Union under the 6th Framework, and has recently applied for Preparatory Phase funding under the EU 7th Framework. The Preparatory Phase activities will facilitate the resolution of the remaining legal, financial and technical questions which must be addressed before EISCAT_3D can be

  20. XEDS STEM Tomography For 3D Chemical Characterization Of Nanoscale Particles

    SciTech Connect

    Genc, Arda; Kovarik, Libor; Gu, Meng; Cheng, Huikai; Plachinda, Pavel; Pullan, Lee; Freitag, Bert; Wang, Chong M.

    2013-08-01

    We present a tomography technique which couples scanning transmission electron microscopy (STEM) and X-ray energy dispersive spectrometry (XEDS) to resolve 3D distribution of elements in nanoscale materials. STEM imaging when combined with a symmetrically arranged XEDS detector design around the specimen overcomes many of the obstacles in 3D spectroscopic tomography of nanoscale materials and successfully elucidate the 3D chemical information in a large field of view of the TEM sample. We employed this technique to investigate 3D distribution of Nickel (Ni), Manganese (Mn) and Oxygen (O) in Li(NiMn)O2 battery cathode material. For this purpose, 2D elemental maps were acquired for a range of tilt angles and reconstructed to obtain 3D elemental distribution in an isolated Li(NiMnO2) nanoparticle. The results highlight the strength of this technique in 3D chemical analysis of nanoscale materials by successfully resolving Ni, Mn and O elemental distributions in 3D and discovering the new phenomenon of Ni surface segregation in this material. Furthermore, the comparison of simultaneously acquired HAADF STEM and XEDS STEM tomography results show that XEDS STEM tomography provides additional 3D chemical information of the material especially when there is low atomic number (Z) contrast in the material of interest.

  1. The Interior Analysis and 3-D Reconstruction of Internally-Mixed Light-Absorbing Atmospheric Particles

    NASA Astrophysics Data System (ADS)

    Conny, J. M.; Collins, S. M.; Anderson, I.; Herzing, A.

    2010-12-01

    Carbon-containing atmospheric particles may either absorb solar or outgoing long-wave radiation or scatter solar radiation, and thus, affect Earth’s radiative balance in multiple ways. Light-absorbing carbon that is common in urban air particles such as industrial coke dust, road dust, and diesel soot, often exists in the same particle with other phases that contain, for example, aluminum, calcium, iron, and sulfur. While the optical properties of atmospheric particles in general depend on overall particle size and shape, the inhomogeneity of chemical phases within internally-mixed particles may also greatly affect particle optical properties. In this study, a series of microscopic approaches were used to identify individual light-absorbing coarse-mode particles and to assess their interior structure and composition. Particle samples were collected in 2004 from one of the U.S. EPA’s Los Angeles Particulate Matter Supersites, and were likely affected substantially by road dust and construction dust. First, bright-field and dark-field light microscopy and computer-controlled scanning electron microscopy (SEM) with energy-dispersive x-ray spectroscopy (EDX) were used to distinguish predominantly light-absorbing carbonaceous particles from other particle types such as mineral dust, sea salt, and brake wear. Second, high-resolution SEM-EDX elemental mapping of individual carbonaceous particles was used to select particles with additional elemental phases that exhibited spatial inhomogeneity. Third, focused ion-beam SEM (FIB-SEM) with EDX was used to slice through selected particles to expose interior surfaces and to determine the spatial distribution of element phases throughout the particles. Fourth, study of the interior phases of a particle was augmented by the transmission electron microscopy (TEM) of a thin section of the particle prepared by FIB-SEM. Here, electron energy loss spectroscopy with TEM was used to study chemical bonding in the carbonaceous phase

  2. Efficient physics-based predictive 3D image modeling and simulation of optical atmospheric refraction phenomena

    NASA Astrophysics Data System (ADS)

    Reinhardt, Colin N.; Hammel, Stephen M.; Tsintikidis, Dimitris

    2016-09-01

    We present some preliminary results and discussion of our ongoing effort to develop a prototype volumetric atmospheric optical refraction simulator which uses 3D nonlinear ray-tracing and state-of-art physics-based rendering techniques. The tool will allow simulation of optical curved-ray propagation through nonlinear refractivity gradient profiles in volumetric atmospheric participating media, and the generation of radiometrically accurate images of the resulting atmospheric refraction phenomena, including inferior and superior mirages, over-the-horizon viewing conditions, looming and sinking, towering and stooping of distant objects. The ability to accurately model and predict atmospheric optical refraction conditions and phenomena is important in both defense and commercial applications. Our nonlinear refractive ray-trace method is currently CPU-parallelized and is well-suited for GPU compute implementation.

  3. Partial redistribution in 3D non-LTE radiative transfer in solar-atmosphere models

    NASA Astrophysics Data System (ADS)

    Sukhorukov, Andrii V.; Leenaarts, Jorrit

    2017-01-01

    Context. Resonance spectral lines such as H I Ly α, Mg II H&K, and Ca II H&K that form in the solar chromosphere, are influenced by the effects of 3D radiative transfer as well as partial redistribution (PRD). So far no one has modeled these lines including both effects simultaneously owing to the high computing demands of existing algorithms. Such modeling is, however, indispensable for accurate diagnostics of the chromosphere. Aims: We present a computationally tractable method to treat PRD scattering in 3D model atmospheres using a 3D non-local thermodynamic equilibrium (non-LTE) radiative transfer code. Methods: To make the method memory-friendly, we use the hybrid approximation for the redistribution integral. To make the method fast, we use linear interpolation on equidistant frequency grids. We verify our algorithm against computations with the RH code and analyze it for stability, convergence, and usefulness of acceleration using model atoms of Mg II with the H&K lines and H I with the Ly α line treated in PRD. Results: A typical 3D PRD solution can be obtained in a model atmosphere with 252 × 252 × 496 coordinate points in 50 000-200 000 CPU hours, which is a factor ten slower than computations assuming complete redistribution. We illustrate the importance of the joint action of PRD and 3D effects for the Mg II H&K lines for disk-center intensities, as well as the center-to-limb variation. Conclusions: The proposed method allows for the simulation of PRD lines in a time series of radiation-magnetohydrodynamic models, in order to interpret observations of chromospheric lines at high spatial resolution.

  4. A Review of 3D Radiative Transfer in Atmospheric Science: History and Outlook

    NASA Astrophysics Data System (ADS)

    Wiscombe, W. J.

    2006-12-01

    3D radiative transfer has, until recently, remained a marginal subject within atmospheric science. While some measurement techniques like lidar and radar are inherently 3D, the simplifying assumptions made in the use of such data have alleviated any need to deal with 3D radiative transfer. Cloud scenes are obviously 3D, but the crude resolution of past atmospheric models (GCMs) required clouds to be treated as 1D. Measured radiative fluxes containing 3D cloud effects were simply time-averaged until all their 3D-ness was apparently beaten out of them. The main subject which has propelled 3D radiative transfer onto center stage is, nevertheless, clouds. This is because conventional GCMs are being challenged by GCMs that have their large-scale parametrizations of cloud-related processes replaced by explicit cloud-system-resolving models. Within these new GCMs, 3D radiative transfer cannot be ignored since cloud fluctuations are resolved explicitly down to scales where 1D and 3D radiative transfer can differ markedly. This talk will attempt to identify the high points in the development of the 3D cloud radiation field. My own career interleaved with much of this history, including the strong move away from just using computers and toward field observations, and also the effort to fit the new knowledge into climate models. The 3D cloud radiation field began in the 1970s, but attracted few adherents because of severe limitations on computer time and memory, and also because of ignorance of cloud structure (beyond the qualitative classifications which had ruled for 170 years). The earliest landmarks were Monte Carlo calcuations for cubic clouds, whose main point was the drastic errors incurred by ignoring cloud 3D-ness. This line of development ramified until the early 1990s, leading finally to randomly placed cubes with sizes drawn from a probability distribution. A parallel line of development began with the landmark paper of Lovejoy in 1982, which showed that cloud

  5. Sulfur in the Early Martian Atmosphere Revisited: Experiments with a 3-D Global Climate Model

    NASA Astrophysics Data System (ADS)

    Kerber, L.; Forget, F.; Wordsworth, R.

    2013-09-01

    [8]. A successful working model for the early Martian atmosphere and hydrosphere must be able not only to produce conditions suitable for liquid water at the surface, but also to explain how the nature of this aqueous activity changed over time and eventually diminished. There are two major end-member hypotheses: first, that early Mars was wet and warm, with a sustained greenhouse that made it possible for liquid water to be stable on the surface for extended periods [e.g., 2, 12-14], and second, that early Mars was generally cold, and that most of the aqueous alteration took place underground [3,5] or during transient warm periods tied to impact cratering [15], or volcanism [16]. In both of these scenarios it is generally agreed that in order to make valley networks and sulfate deposits, a hydrological cycle is needed which is able to recycle water from the lowlands back to the highlands (i.e., the one-time emptying of a regional aquifer would not be sufficient to create the observed features) [4,17]. This would require some precipitation to fall on the southern highlands, either flowing overland or filtering into groundwater aquifers. In both cases, volcanic gases (especially SO2) have been suggested as a possible way of creating either a sustained or transient greenhouse. Several researchers have tested the addition of SO2 to climate models in order to assess whether it would provide an adequate amount of greenhouse warming to allow liquid water to flow across the surface [18-21], with differing results. Postawko and Kuhn [18] found a warming effect of 14 K in a 0.1 bar atmosphere with an SO2 abundance of 1000 ppm. Johnson et al. [20] used a 3-D global circulation model and found a warming of 15-25 K for 245 ppm of SO2 in a dry 0.5 bar atmosphere. Tian et al. [21] used a 1-D model to explore a wide range of SO2 mixing values and CO2 partial pressures, finding a warming of around ~25 K for 100 ppm in a 0.5 bar atmosphere with a fully saturated troposphere (~40 K

  6. High Resolution 3D Simulations of the Impacts of Asteroids into the Venusian Atmosphere

    NASA Astrophysics Data System (ADS)

    Korycansky, D. G.; Zahnle, K. J.; Mac Low, M.-M.

    2000-10-01

    We compare high-resolution 2D and 3D numerical hydrocode simulations of asteroids striking the atmosphere of Venus. Our focus is on aerobraking and its effect on the size of impact craters. We consider impacts both by spheres and by the real asteroid 4769 Castalia, a severely nonspherical body in a Venus-crossing orbit. We compute mass and momentum fluxes as functions of altitude as global measures of the asteroid's progress. We find that, on average, the 2D and 3D simulations are in broad agreement over how quickly an asteroid slows down, but that the scatter about the average is much larger for the 2D models than for the 3D models. The 2D models appear to be strongly susceptible to the ``butterfly effect'', in which tiny changes in initial conditions (e.g., 0.05% change in the impact velocity) produce quite different chaotic evolutions. By contrast the global properties of the 3D models appear more reproducible despite seemingly large differences in initial conditions. We argue that this difference between 2D and 3D models has its root in the greater geometrical constraints present in any 2D model, and in particular in the conservation of enstrophy in 2D that forces energy to pool in large-scale structures. It is the interaction of these artificial large-scale structures that causes slightly different 2D models to diverge so greatly. These constraints do not apply in 3D and large scale structures are not observed to form. A one-parameter modified pancake model reproduces the crater-forming potential of the 3D Castalias quite well. This work was supported by NASA's Exobiology and Planetary Atmospheres Programs. Image rendering was done using the resources of UCSC Vizualizaton Lab. M-MML is partially supported by a CAREER fellowship from the US NSF. This work was partially supported by the National Computational Science Alliance, utilizing the NCSA SGI/CRAY Power Challenge array at the University of Illinois, Urbana-Champaign.

  7. Solar radiation transport in the cloudy atmosphere: a 3D perspective on observations and climate impacts

    NASA Astrophysics Data System (ADS)

    Davis, Anthony B.; Marshak, Alexander

    2010-02-01

    The interplay of sunlight with clouds is a ubiquitous and often pleasant visual experience, but it conjures up major challenges for weather, climate, environmental science and beyond. Those engaged in the characterization of clouds (and the clear air nearby) by remote sensing methods are even more confronted. The problem comes, on the one hand, from the spatial complexity of real clouds and, on the other hand, from the dominance of multiple scattering in the radiation transport. The former ingredient contrasts sharply with the still popular representation of clouds as homogeneous plane-parallel slabs for the purposes of radiative transfer computations. In typical cloud scenes the opposite asymptotic transport regimes of diffusion and ballistic propagation coexist. We survey the three-dimensional (3D) atmospheric radiative transfer literature over the past 50 years and identify three concurrent and intertwining thrusts: first, how to assess the damage (bias) caused by 3D effects in the operational 1D radiative transfer models? Second, how to mitigate this damage? Finally, can we exploit 3D radiative transfer phenomena to innovate observation methods and technologies? We quickly realize that the smallest scale resolved computationally or observationally may be artificial but is nonetheless a key quantity that separates the 3D radiative transfer solutions into two broad and complementary classes: stochastic and deterministic. Both approaches draw on classic and contemporary statistical, mathematical and computational physics.

  8. Solar Radiation Transport in the Cloudy Atmosphere: A 3D Perspective on Observations and Climate Impacts

    NASA Technical Reports Server (NTRS)

    Davis, Anthony B.; Marshak, Alexander

    2010-01-01

    The interplay of sunlight with clouds is a ubiquitous and often pleasant visual experience, but it conjures up major challenges for weather, climate, environmental science and beyond. Those engaged in the characterization of clouds (and the clear air nearby) by remote sensing methods are even more confronted. The problem comes, on the one hand, from the spatial complexity of real clouds and, on the other hand, from the dominance of multiple scattering in the radiation transport. The former ingredient contrasts sharply with the still popular representation of clouds as homogeneous plane-parallel slabs for the purposes of radiative transfer computations. In typical cloud scenes the opposite asymptotic transport regimes of diffusion and ballistic propagation coexist. We survey the three-dimensional (3D) atmospheric radiative transfer literature over the past 50 years and identify three concurrent and intertwining thrusts: first, how to assess the damage (bias) caused by 3D effects in the operational 1D radiative transfer models? Second, how to mitigate this damage? Finally, can we exploit 3D radiative transfer phenomena to innovate observation methods and technologies? We quickly realize that the smallest scale resolved computationally or observationally may be artificial but is nonetheless a key quantity that separates the 3D radiative transfer solutions into two broad and complementary classes: stochastic and deterministic. Both approaches draw on classic and contemporary statistical, mathematical and computational physics.

  9. Atmospheric transport of persistent organic pollutants - development of a 3-d dynamical transport model covering the northern hemisphere

    NASA Astrophysics Data System (ADS)

    Hansen, K. M.; Christensen, J. H.; Geels, C.; Frohn, L. M.; Brandt, J.

    2003-04-01

    The Danish Eulerian Hemispheric Model (DEHM) is a 3-D dynamical atmospheric transport model originally developed to describe the atmospheric transport of sulphur, lead, and mercury to the Arctic. The model has been validated carefully for these compounds. A new version of DEHM is currently being developed to describe the atmospheric transport of persistent organic pollutants (POPs) which are toxic, lipophilic and bio-accumulating compounds showing great persistence in the environment. The model has a horizontal resolution of 150 km x 150 km and 18 vertical layers, and it is driven by meteorological data from the numerical weather prediction model MM5V2. During environmental cycling POPs can be deposited and re-emitted several times before reaching a final destination. A description of the exchange processes between the land/ocean surfaces and the atmosphere is included in the model to account for this multi-hop transport. The present model version describes the atmospheric transport of the pesticide alpha-hexachlorocyclohexane (alpha-HCH). Other POPs may be included when proper data on emissions and physical-chemical parameters becomes available. The model-processes and the first model results are presented. The atmospheric transport of alpha-HCH for the 1990s is well described by the model.

  10. Validation of INSAT-3D atmospheric motion vectors for monsoon 2015

    NASA Astrophysics Data System (ADS)

    Sharma, Priti; Rani, S. Indira; Das Gupta, M.

    2016-05-01

    Atmospheric Motion Vector (AMV) over Indian Ocean and surrounding region is one of the most important sources of tropospheric wind information assimilated in numerical weather prediction (NWP) system. Earlier studies showed that the quality of Indian geo-stationary satellite Kalpana-1 AMVs was not comparable to that of other geostationary satellites over this region and hence not used in NWP system. Indian satellite INSAT-3D was successfully launched on July 26, 2013 with upgraded imaging system as compared to that of previous Indian satellite Kalpana-1. INSAT-3D has middle infrared band (3.80 - 4.00 μm) which is capable of night time pictures of low clouds and fog. Three consecutive images of 30-minutes interval are used to derive the AMVs. New height assignment scheme (using NWP first guess and replacing old empirical GA method) along with modified quality control scheme were implemented for deriving INSAT-3D AMVs. In this paper an attempt has been made to validate these AMVs against in-situ observations as well as against NCMRWF's NWP first guess for monsoon 2015. AMVs are subdivided into three different pressure levels in the vertical viz. low (1000 - 700 hPa), middle (700 - 400 hPa) and high (400 - 100 hPa) for validation purpose. Several statistics viz. normalized root mean square vector difference; biases etc. have been computed over different latitudinal belt. Result shows that the general mean monsoon circulations along with all the transient monsoon systems are well captured by INSAT-3D AMVs, as well as the error statistics viz., RMSE etc of INSAT-3D AMVs is now comparable to other geostationary satellites.

  11. 3D MODELING OF GJ1214b's ATMOSPHERE: FORMATION OF INHOMOGENEOUS HIGH CLOUDS AND OBSERVATIONAL IMPLICATIONS

    SciTech Connect

    Charnay, B.; Meadows, V.; Misra, A.; Arney, G.; Leconte, J.

    2015-11-01

    The warm sub-Neptune GJ1214b has a featureless transit spectrum that may be due to the presence of high and thick clouds or haze. Here, we simulate the atmosphere of GJ1214b with a 3D General Circulation Model for cloudy hydrogen-dominated atmospheres, including cloud radiative effects. We show that the atmospheric circulation is strong enough to transport micrometric cloud particles to the upper atmosphere and generally leads to a minimum of cloud at the equator. By scattering stellar light, clouds increase the planetary albedo to 0.4–0.6 and cool the atmosphere below 1 mbar. However, the heating by ZnS clouds leads to the formation of a stratospheric thermal inversion above 10 mbar, with temperatures potentially high enough on the dayside to evaporate KCl clouds. We show that flat transit spectra consistent with Hubble Space Telescope observations are possible if cloud particle radii are around 0.5 μm, and that such clouds should be optically thin at wavelengths >3 μm. Using simulated cloudy atmospheres that fit the observed spectra we generate transit, emission, and reflection spectra and phase curves for GJ1214b. We show that a stratospheric thermal inversion would be readily accessible in near- and mid-infrared atmospheric spectral windows. We find that the amplitude of the thermal phase curves is strongly dependent on metallicity, but only slightly impacted by clouds. Our results suggest that primary and secondary eclipses and phase curves observed by the James Webb Space Telescope in the near- to mid-infrared should provide strong constraints on the nature of GJ1214b's atmosphere and clouds.

  12. ICARE-HS: atmospheric correction of airborne hyperspectral urban images using 3D information

    NASA Astrophysics Data System (ADS)

    Ceamanos, Xavier; Briottet, Xavier; Roussel, Guillaume; Gilardy, Hugo

    2016-10-01

    The algorithm ICARE-HS (Inversion Code for urban Areas Reflectance Extraction using HyperSpectral imagery) is presented in this paper. ICARE-HS processes airborne hyperspectral images for atmospheric compensation taking into account the strong relief of urban areas. A digital surface model is used to provide the 3D information, which is key to simulating relief-related effects such as shadow casting, multiple reflections between objects and variable illumination depending on local solid angle of view of the sky. Some of these effects are modeled using ray tracing techniques. ICARE-HS is applied to airborne hyperspectral data of the city center of Toulouse, which are also processed by a standard atmospheric correction method for comparison.

  13. LigandBox: A database for 3D structures of chemical compounds.

    PubMed

    Kawabata, Takeshi; Sugihara, Yusuke; Fukunishi, Yoshifumi; Nakamura, Haruki

    2013-01-01

    A database for the 3D structures of available compounds is essential for the virtual screening by molecular docking. We have developed the LigandBox database (http://ligandbox.protein.osaka-u.ac.jp/ligandbox/) containing four million available compounds, collected from the catalogues of 37 commercial suppliers, and approved drugs and biochemical compounds taken from KEGG_DRUG, KEGG_COMPOUND and PDB databases. Each chemical compound in the database has several 3D conformers with hydrogen atoms and atomic charges, which are ready to be docked into receptors using docking programs. The 3D conformations were generated using our molecular simulation program package, myPresto. Various physical properties, such as aqueous solubility (LogS) and carcinogenicity have also been calculated to characterize the ADME-Tox properties of the compounds. The Web database provides two services for compound searches: a property/chemical ID search and a chemical structure search. The chemical structure search is performed by a descriptor search and a maximum common substructure (MCS) search combination, using our program kcombu. By specifying a query chemical structure, users can find similar compounds among the millions of compounds in the database within a few minutes. Our database is expected to assist a wide range of researchers, in the fields of medical science, chemical biology, and biochemistry, who are seeking to discover active chemical compounds by the virtual screening.

  14. Integrated 3D-printed reactionware for chemical synthesis and analysis

    NASA Astrophysics Data System (ADS)

    Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy

    2012-05-01

    Three-dimensional (3D) printing has the potential to transform science and technology by creating bespoke, low-cost appliances that previously required dedicated facilities to make. An attractive, but unexplored, application is to use a 3D printer to initiate chemical reactions by printing the reagents directly into a 3D reactionware matrix, and so put reactionware design, construction and operation under digital control. Here, using a low-cost 3D printer and open-source design software we produced reactionware for organic and inorganic synthesis, which included printed-in catalysts and other architectures with printed-in components for electrochemical and spectroscopic analysis. This enabled reactions to be monitored in situ so that different reactionware architectures could be screened for their efficacy for a given process, with a digital feedback mechanism for device optimization. Furthermore, solely by modifying reactionware architecture, reaction outcomes can be altered. Taken together, this approach constitutes a relatively cheap, automated and reconfigurable chemical discovery platform that makes techniques from chemical engineering accessible to typical synthetic laboratories.

  15. The Solar Photospheric Oxygen Abundance and the Role of 3D Model Atmospheres

    NASA Astrophysics Data System (ADS)

    Caffau, E.; Steffen, M.; Ludwig, H.-G.

    2008-09-01

    The solar oxygen abundance has undergone a major downward revision in the last decade, reputedly as a result of employing 3D hydrodynamical simulations to model the inhomogeneous structure of the solar photosphere. The very low oxygen abundance advocated by Asplund et al. 2004, A(O)=8.66, together with the downward revision of the abundances of other key elements, has created serious problems for solar models to explain the helioseismic measurements. In an effort to contribute to the dispute of whether the Sun has "solar" or "sub-solar" abundances, we have re-derived its photospheric abundance of oxygen, nitrogen, and other elements, independently of previous analyses. We applied a state-of-the art 3D (CO5BOLD) hydrodynamical simulation of the solar granulation as well as different 1D model atmospheres for the line by line spectroscopic abundance determinations. The analysis is based on both standard disk-center and full-disk spectral atlases; for oxygen we acquired in addition spectra at different heliocentric angles. The derived abundances are the result of equivalent width and/or line profile fitting of the available atomic lines. Our recommended oxygen abundance is A(O)=8.76+- 0.07, 0.1 dex higher than the value of Asplund et al. (2004). Our current estimate of the overall solar metallicity is 0.014< Z<0.016. Questions we discuss include: (i) Is the general downward revision of the solar abundances a 3D effect? (ii) How large are the abundance corrections due to horizontal inhomogeneities? (iii) What is the main reason for the differences between the abundances obtained in our study and those derived by Apslund and coworkers? (iv) How large are the uncertainties in the observed solar spectra? (v) What is the reason why the two forbidden oxygen lines, [OI] lambda 630 nm and [OI] lambda 636.3 nm, give significantly different answers for the solar oxygen abundance?

  16. A 3D AgCl hierarchical superstructure synthesized by a wet chemical oxidation method.

    PubMed

    Lou, Zaizhu; Huang, Baibiao; Ma, Xiangchao; Zhang, Xiaoyang; Qin, Xiaoyan; Wang, Zeyan; Dai, Ying; Liu, Yuanyuan

    2012-12-07

    A novel 3D AgCl hierarchical superstructure, with fast growth along the 〈111〉 directions of cubic seeds, is synthesized by using a wet chemical oxidation method. The morphological structures and the growth process are investigated by scanning electron microscopy and X-ray diffraction. The crystal structures are analyzed by their crystallographic orientations. The surface energy of AgCl facets {100}, {110}, and {111} with absorbance of Cl(-) ions is studied by density functional theory calculations. Based on the experimental and computational results, a plausible mechanism is proposed to illustrate the formation of the 3D AgCl hierarchical superstructures. With more active sites, the photocatalytic activity of the 3D AgCl hierarchical superstructures is better than those of concave and cubic ones in oxygen evolution under irradiation by visible light.

  17. 3-D water vapor field in the atmospheric boundary layer observed with scanning differential absorption lidar

    NASA Astrophysics Data System (ADS)

    Späth, Florian; Behrendt, Andreas; Muppa, Shravan Kumar; Metzendorf, Simon; Riede, Andrea; Wulfmeyer, Volker

    2016-04-01

    High-resolution three-dimensional (3-D) water vapor data of the atmospheric boundary layer (ABL) are required to improve our understanding of land-atmosphere exchange processes. For this purpose, the scanning differential absorption lidar (DIAL) of the University of Hohenheim (UHOH) was developed as well as new analysis tools and visualization methods. The instrument determines 3-D fields of the atmospheric water vapor number density with a temporal resolution of a few seconds and a spatial resolution of up to a few tens of meters. We present three case studies from two field campaigns. In spring 2013, the UHOH DIAL was operated within the scope of the HD(CP)2 Observational Prototype Experiment (HOPE) in western Germany. HD(CP)2 stands for High Definition of Clouds and Precipitation for advancing Climate Prediction and is a German research initiative. Range-height indicator (RHI) scans of the UHOH DIAL show the water vapor heterogeneity within a range of a few kilometers up to an altitude of 2 km and its impact on the formation of clouds at the top of the ABL. The uncertainty of the measured data was assessed for the first time by extending a technique to scanning data, which was formerly applied to vertical time series. Typically, the accuracy of the DIAL measurements is between 0.5 and 0.8 g m-3 (or < 6 %) within the ABL even during daytime. This allows for performing a RHI scan from the surface to an elevation angle of 90° within 10 min. In summer 2014, the UHOH DIAL participated in the Surface Atmosphere Boundary Layer Exchange (SABLE) campaign in southwestern Germany. Conical volume scans were made which reveal multiple water vapor layers in three dimensions. Differences in their heights in different directions can be attributed to different surface elevation. With low-elevation scans in the surface layer, the humidity profiles and gradients can be related to different land cover such as maize, grassland, and forest as well as different surface layer

  18. Identifying secondary structures in proteins using NMR chemical shift 3D correlation maps

    NASA Astrophysics Data System (ADS)

    Kumari, Amrita; Dorai, Kavita

    2013-06-01

    NMR chemical shifts are accurate indicators of molecular environment and have been extensively used as aids in protein structure determination. This work focuses on creating empirical 3D correlation maps of backbone chemical shift nuclei for use as identifiers of secondary structure elements in proteins. A correlated database of backbone nuclei chemical shifts was constructed from experimental structural data gathered from entries in the Protein Data Bank (PDB) as well as isotropic chemical shift values from the RefDB database. Rigorous statistical analysis of the maps led to the conclusion that specific correlations between triplets of backbone chemical shifts are best able to differentiate between different secondary structures such as α-helices, β-strands and turns. The method is compared with similar techniques that use NMR chemical shift information as aids in biomolecular structure determination and performs well in tests done on experimental data determined for different types of proteins, including large multi-domain proteins and membrane proteins.

  19. Combining Abundance/Temperature Retrieval with 3D Atmospheric Circulation Simulations of Hot Jupiters

    NASA Astrophysics Data System (ADS)

    Heng, Kevin

    2011-09-01

    The atmospheres of hot Jupiters are three-dimensional, non-linear entities and understanding them requires the construction of a hierarchy of models of varying sophistication. Since previous work has either focused on the atmospheric dynamics or implemented multi-band radiative transfer, a reasonable approach is to combine the treatment of 3D dynamics with dual-band radiative transfer, where the assumption is that the stellar irradiation and re-emitted radiation from the exoplanet are at distinct wavelengths. I report on the successful implementation of such a setup and demonstrate how it can be used to compute self-consistent temperature-pressure profiles on both the day and night sides of a hot Jupiter, as well as zonal-wind profiles, circulation cell patterns and the angular/temporal offset of the hotspot from the substellar point. In particular, the hotspot offset should aid us in distinguishing between different types of hot Jupiter atmospheres. Together with N. Madhusudhan, we combine the dual-band simulation technique with the abundance/temperature retrieval method of Madhusudhan & Seager, by empirically constraining a range of values for the broad-band opacities which are consistent with the current observations. The advantage of our novel method is that the range of opacities used improves with time as the observations get better. The ability to thoroughly, efficiently and systematically explore the interplay between atmospheric dynamics, radiation and synthetic spectra is an important step forward, as it prepares us for the theoretical interpretation of exoplanetary spectra which will be obtained by future space-based missions such as JWST and EChO. I acknowledge generous support from the Zwicky Prize Fellowship and the Star and Planet Formation Group (PI: Michael Meyer) at ETH Zurich.

  20. Quantitative investigation of chemical shrinkage stress in flip chip using a 3D moire interferometry system

    NASA Astrophysics Data System (ADS)

    Su, Fei; Liu, Lie; Yi, Sung; Chian, Kerm S.

    2002-06-01

    Thermo-mechanical reliability is a key issue of IC packaging. In this paper, the chemical shrinkage stress caused by the underfill curing is quantitatively investigated: DSC test result provides the basis for the determination of temperature profile for the curing of underfill. The 3D deformation of the flip chip during the underfill curing process is measured with 3D Moire interferometry system. Also a simple theoretical model is set up for this problem, DMA test provide the necessary parameters for this model. The experimental and theoretical results agree well with each other, both results show that the chemical shrinkage stress is fairly small when compared with the thermal residual stress, so this part of residual stress can be neglected in the commonly used finite element analysis (FEA) model.

  1. 3D modeling of environments contaminated with chemical, biological, radiological and nuclear (CBRN) agents

    NASA Astrophysics Data System (ADS)

    Jasiobedzki, Piotr; Ng, Ho-Kong; Bondy, Michel; McDiarmid, Carl H.

    2008-04-01

    CBRN Crime Scene Modeler (C2SM) is a prototype 3D modeling system for first responders investigating environments contaminated with Chemical, Biological, Radiological and Nuclear agents. The prototype operates on board a small robotic platform or a hand-held device. The sensor suite includes stereo and high resolution cameras, a long wave infra red camera, chemical detector, and two gamma detectors (directional and non-directional). C2SM has been recently tested in field trials where it was teleoperated within an indoor environment with gamma radiation sources present. The system has successfully created multi-modal 3D models (geometry, colour, IR and gamma radiation), correctly identified location of radiation sources and provided high resolution images of these sources.

  2. 3D SIMULATIONS OF REALISTIC POWER HALOS IN MAGNETOHYDROSTATIC SUNSPOT ATMOSPHERES: LINKING THEORY AND OBSERVATION

    SciTech Connect

    Rijs, Carlos; Przybylski, Damien; Moradi, Hamed; Cally, Paul S.; Shelyag, Sergiy; Rajaguru, S. P.

    2016-01-20

    The well-observed acoustic halo is an enhancement in time-averaged Doppler velocity and intensity power with respect to quiet-Sun values that is prominent for the weak and highly inclined field around the penumbra of sunspots and active regions. We perform 3D linear wave modeling with realistic distributed acoustic sources in a magnetohydrostatic sunspot atmosphere and compare the resultant simulation enhancements with multiheight SDO observations of the phenomenon. We find that simulated halos are in good qualitative agreement with observations. We also provide further proof that the underlying process responsible for the halo is the refraction and return of fast magnetic waves that have undergone mode conversion at the critical a = c atmospheric layer. In addition, we also find strong evidence that fast Alfvén mode conversion plays a significant role in the structure of the halo, taking energy away from photospheric and chromospheric heights in the form of field-aligned Alfvén waves. This conversion process may explain the observed “dual-ring” halo structure at higher (>8 mHz) frequencies.

  3. Chemically tuned linear energy transfer dependent quenching in a deformable, radiochromic 3D dosimeter

    NASA Astrophysics Data System (ADS)

    Høye, Ellen Marie; Skyt, Peter S.; Balling, Peter; Muren, Ludvig P.; Taasti, Vicki T.; Swakoń, Jan; Mierzwińska, Gabriela; Rydygier, Marzena; Bassler, Niels; Petersen, Jørgen B. B.

    2017-02-01

    Most solid-state detectors, including 3D dosimeters, show lower signal in the Bragg peak than expected, a process termed quenching. The purpose of this study was to investigate how variation in chemical composition of a recently developed radiochromic, silicone-based 3D dosimeter influences the observed quenching in proton beams. The dependency of dose response on linear energy transfer, as calculated through Monte Carlo simulations of the dosimeter, was investigated in 60 MeV proton beams. We found that the amount of quenching varied with the chemical composition: peak-to-plateau ratios (1 cm into the plateau) ranged from 2.2 to 3.4, compared to 4.3 using an ionization chamber. The dose response, and thereby the quenching, was predominantly influenced by the curing agent concentration, which determined the dosimeter’s deformation properties. The dose response was found to be linear at all depths. All chemical compositions of the dosimeter showed dose-rate dependency; however this was not dependent on the linear energy transfer. Track-structure theory was used to explain the observed quenching effects. In conclusion, this study shows that the silicone-based dosimeter has potential for use in measuring 3D-dose-distributions from proton beams.

  4. Bioavailable atmospheric phosphorous supply to the global ocean: a 3-D global modeling study

    NASA Astrophysics Data System (ADS)

    Myriokefalitakis, Stelios; Nenes, Athanasios; Baker, Alex R.; Mihalopoulos, Nikolaos; Kanakidou, Maria

    2016-12-01

    The atmospheric cycle of phosphorus (P) is parameterized here in a state-of-the-art global 3-D chemistry transport model, taking into account primary emissions of total P (TP) and soluble P (DP) associated with mineral dust, combustion particles from natural and anthropogenic sources, bioaerosols, sea spray and volcanic aerosols. For the present day, global TP emissions are calculated to be roughly 1.33 Tg-P yr-1, with the mineral sources contributing more than 80 % to these emissions. The P solubilization from mineral dust under acidic atmospheric conditions is also parameterized in the model and is calculated to contribute about one-third (0.14 Tg-P yr-1) of the global DP atmospheric source. To our knowledge, a unique aspect of our global study is the explicit modeling of the evolution of phosphorus speciation in the atmosphere. The simulated present-day global annual DP deposition flux is 0.45 Tg-P yr-1 (about 40 % over oceans), showing a strong spatial and temporal variability. Present-day simulations of atmospheric P aerosol concentrations and deposition fluxes are satisfactory compared with available observations, indicating however an underestimate of about 70 % on current knowledge of the sources that drive the P atmospheric cycle. Sensitivity simulations using preindustrial (year 1850) anthropogenic and biomass burning emission scenarios showed a present-day increase of 75 % in the P solubilization flux from mineral dust, i.e., the rate at which P is converted into soluble forms, compared to preindustrial times, due to increasing atmospheric acidity over the last 150 years. Future reductions in air pollutants due to the implementation of air-quality regulations are expected to decrease the P solubilization flux from mineral dust by about 30 % in the year 2100 compared to the present day. Considering, however, that all the P contained in bioaerosols is readily available for uptake by marine organisms, and also accounting for all other DP sources, a total

  5. Ozone formation during an episode over Europe: A 3-D chemical/transport model simulation

    NASA Technical Reports Server (NTRS)

    Berntsen, Terje; Isaksen, Ivar S. A.

    1994-01-01

    A 3-D regional photochemical tracer/transport model for Europe and the Eastern Atlantic has been developed based on the NASA/GISS CTM. The model resolution is 4x5 degrees latitude and longitude with 9 layers in the vertical (7 in the troposphere). Advective winds, convection statistics and other meteorological data from the NASA/GISS GCM are used. An extensive gas-phase chemical scheme based on the scheme used in our global 2D model has been incorporated in the 3D model. In this work ozone formation in the troposphere is studied with the 3D model during a 5 day period starting June 30. Extensive local ozone production is found and the relationship between the source regions and the downwind areas are discussed. Variations in local ozone formation as a function of total emission rate, as well as the composition of the emissions (HC/NO(x)) ratio and isoprene emissions) are elucidated. An important vertical transport process in the troposphere is by convective clouds. The 3D model includes an explicit parameterization of this process. It is shown that this process has significant influence on the calculated surface ozone concentrations.

  6. CheS-Mapper - Chemical Space Mapping and Visualization in 3D

    PubMed Central

    2012-01-01

    Analyzing chemical datasets is a challenging task for scientific researchers in the field of chemoinformatics. It is important, yet difficult to understand the relationship between the structure of chemical compounds, their physico-chemical properties, and biological or toxic effects. To that respect, visualization tools can help to better comprehend the underlying correlations. Our recently developed 3D molecular viewer CheS-Mapper (Chemical Space Mapper) divides large datasets into clusters of similar compounds and consequently arranges them in 3D space, such that their spatial proximity reflects their similarity. The user can indirectly determine similarity, by selecting which features to employ in the process. The tool can use and calculate different kind of features, like structural fragments as well as quantitative chemical descriptors. These features can be highlighted within CheS-Mapper, which aids the chemist to better understand patterns and regularities and relate the observations to established scientific knowledge. As a final function, the tool can also be used to select and export specific subsets of a given dataset for further analysis. PMID:22424447

  7. Near-infrared chemical imaging (NIR-CI) of 3D printed pharmaceuticals.

    PubMed

    Khorasani, Milad; Edinger, Magnus; Raijada, Dhara; Bøtker, Johan; Aho, Johanna; Rantanen, Jukka

    2016-12-30

    Hot-melt extrusion and 3D printing are enabling manufacturing approaches for patient-centred medicinal products. Hot-melt extrusion is a flexible and continuously operating technique which is a crucial part of a typical processing cycle of printed medicines. In this work we use hot-melt extrusion for manufacturing of medicinal films containing indomethacin (IND) and polycaprolactone (PCL), extruded strands with nitrofurantoin monohydrate (NFMH) and poly (ethylene oxide) (PEO), and feedstocks for 3D printed dosage forms with nitrofurantoin anhydrate (NFAH), hydroxyapatite (HA) and poly (lactic acid) (PLA). These feedstocks were printed into a prototype solid dosage form using a desktop 3D printer. These model formulations were characterized using near-infrared chemical imaging (NIR-CI) and, more specifically, the image analytical data were analysed using multivariate curve resolution-alternating least squares (MCR-ALS). The MCR-ALS algorithm predicted the spatial distribution of IND and PCL in the films with reasonable accuracy. In the extruded strands both the chemical mapping of the components in the formulation as well as the solid form of the active compound could be visualized. Based on the image information the total nitrofurantoin and PEO contents could be estimated., The dehydration of NFMH to NFAH, a process-induced solid form change, could be visualized as well. It was observed that the level of dehydration increased with increasing processing time (recirculation during the mixing phase of molten PEO and nitrofurantoin). Similar results were achieved in the 3D printed solid dosage forms produced from the extruded feedstocks. The results presented in this work clearly demonstrate that NIR-CI in combination with MCR-ALS can be used for chemical mapping of both active compound and excipients, as well as for visualization of solid form variation in the final product. The suggested NIR-CI approach is a promising process control tool for characterization of

  8. 3-d modeling of the middle and upper atmosphere response to the 27-day solar variation

    NASA Astrophysics Data System (ADS)

    Gruzdev, A.; Schmidt, H.; Brasseur, G.

    We present results of an analysis of the effect of the 27-day solar variation on composition and temperature of the stratosphere mesosphere and lower thermosphere calculated with the 3-dimensional chemistry climate model HAMMONIA The spectral amplitudes of the 27-day solar cycle within the wavelength range from Lyman-a to the short infrared which are input parameters at the upper boundary of the model were calculated from data of UARS SOLSTICE measurements A combination of high resolution spectral and cross-spectral analyses allows determining 27-day variations in the Earth atmosphere which are related to the 27-day solar forcing These methods give also estimates of the amplitude and hence sensitivity and phase of the response While the calculated thermal and chemical responses are very distinct and permanent in the upper atmosphere the responses in the stratosphere and mesosphere are intermittent in time and affected as well by interannual variability It is due to interference of the inherent atmospheric variability and the variability forced by the 27-day solar cycle which sophisticates the response to the 27-day solar forcing in large parts of the model stratosphere and mesosphere In the extratropical latitudes the responses are seasonally dependent Altitude-latitude distributions of sensitivities and phases of the responses to the 27-day solar forcing are analyzed in detail for temperature and chemical species important for ozone chemistry The sensitivity and phase of the ozone response in the tropical stratosphere and lower mesosphere are in satisfactory

  9. Proton chemical shift tensors determined by 3D ultrafast MAS double-quantum NMR spectroscopy

    SciTech Connect

    Zhang, Rongchun; Mroue, Kamal H.; Ramamoorthy, Ayyalusamy

    2015-10-14

    Proton NMR spectroscopy in the solid state has recently attracted much attention owing to the significant enhancement in spectral resolution afforded by the remarkable advances in ultrafast magic angle spinning (MAS) capabilities. In particular, proton chemical shift anisotropy (CSA) has become an important tool for obtaining specific insights into inter/intra-molecular hydrogen bonding. However, even at the highest currently feasible spinning frequencies (110–120 kHz), {sup 1}H MAS NMR spectra of rigid solids still suffer from poor resolution and severe peak overlap caused by the strong {sup 1}H–{sup 1}H homonuclear dipolar couplings and narrow {sup 1}H chemical shift (CS) ranges, which render it difficult to determine the CSA of specific proton sites in the standard CSA/single-quantum (SQ) chemical shift correlation experiment. Herein, we propose a three-dimensional (3D) {sup 1}H double-quantum (DQ) chemical shift/CSA/SQ chemical shift correlation experiment to extract the CS tensors of proton sites whose signals are not well resolved along the single-quantum chemical shift dimension. As extracted from the 3D spectrum, the F1/F3 (DQ/SQ) projection provides valuable information about {sup 1}H–{sup 1}H proximities, which might also reveal the hydrogen-bonding connectivities. In addition, the F2/F3 (CSA/SQ) correlation spectrum, which is similar to the regular 2D CSA/SQ correlation experiment, yields chemical shift anisotropic line shapes at different isotropic chemical shifts. More importantly, since the F2/F1 (CSA/DQ) spectrum correlates the CSA with the DQ signal induced by two neighboring proton sites, the CSA spectrum sliced at a specific DQ chemical shift position contains the CSA information of two neighboring spins indicated by the DQ chemical shift. If these two spins have different CS tensors, both tensors can be extracted by numerical fitting. We believe that this robust and elegant single-channel proton-based 3D experiment provides useful atomistic

  10. Proton chemical shift tensors determined by 3D ultrafast MAS double-quantum NMR spectroscopy.

    PubMed

    Zhang, Rongchun; Mroue, Kamal H; Ramamoorthy, Ayyalusamy

    2015-10-14

    Proton NMR spectroscopy in the solid state has recently attracted much attention owing to the significant enhancement in spectral resolution afforded by the remarkable advances in ultrafast magic angle spinning (MAS) capabilities. In particular, proton chemical shift anisotropy (CSA) has become an important tool for obtaining specific insights into inter/intra-molecular hydrogen bonding. However, even at the highest currently feasible spinning frequencies (110-120 kHz), (1)H MAS NMR spectra of rigid solids still suffer from poor resolution and severe peak overlap caused by the strong (1)H-(1)H homonuclear dipolar couplings and narrow (1)H chemical shift (CS) ranges, which render it difficult to determine the CSA of specific proton sites in the standard CSA/single-quantum (SQ) chemical shift correlation experiment. Herein, we propose a three-dimensional (3D) (1)H double-quantum (DQ) chemical shift/CSA/SQ chemical shift correlation experiment to extract the CS tensors of proton sites whose signals are not well resolved along the single-quantum chemical shift dimension. As extracted from the 3D spectrum, the F1/F3 (DQ/SQ) projection provides valuable information about (1)H-(1)H proximities, which might also reveal the hydrogen-bonding connectivities. In addition, the F2/F3 (CSA/SQ) correlation spectrum, which is similar to the regular 2D CSA/SQ correlation experiment, yields chemical shift anisotropic line shapes at different isotropic chemical shifts. More importantly, since the F2/F1 (CSA/DQ) spectrum correlates the CSA with the DQ signal induced by two neighboring proton sites, the CSA spectrum sliced at a specific DQ chemical shift position contains the CSA information of two neighboring spins indicated by the DQ chemical shift. If these two spins have different CS tensors, both tensors can be extracted by numerical fitting. We believe that this robust and elegant single-channel proton-based 3D experiment provides useful atomistic-level structural and dynamical

  11. 3D simulation of tungsten low-pressure chemical vapor deposition in contact holes

    NASA Astrophysics Data System (ADS)

    Bär, E.; Lorenz, J.

    1995-10-01

    We present a new method for three-dimensional (3D) simulation of low-pressure chemical vapor deposition in arbitrary geometries using a segment-based topography discretization with triangles combined with the calculation of particle fluxes to the wafer surface. The simulation program is applied to tungsten LPCVD using the reduction of tungsten hexafluoride (WF 6) by silane (SiH 4). We found that an approach in which the redistribution of the SiH 4 molecules is simulated and a constant reaction probability after collision of a SiH 4 molecule with the surface is assumed allows the simulation of this process with a reaction probability which is consistent with thermodynamic calculations. A comparison between a simulated 3D profile and experimental data from tungsten LPCVD in a contact hole shows very good agreement between experiment and simulation.

  12. 3D modeling of doping from the atmosphere in floating zone silicon crystal growth

    NASA Astrophysics Data System (ADS)

    Sabanskis, A.; Surovovs, K.; Virbulis, J.

    2017-01-01

    Three-dimensional numerical simulations of the inert gas flow, melt flow and dopant transport in both phases are carried out for silicon single crystal growth using the floating zone method. The mathematical model allows to predict the cooling heat flux density at silicon surfaces and realistically describes the dopant transport in case of doping from the atmosphere. A very good agreement with experiment is obtained for the radial resistivity variation profiles by taking into account the temperature dependence of chemical reaction processes at the free surface.

  13. Long-range atmospheric transport of polycyclic aromatic hydrocarbons: a global 3-D model analysis including evaluation of Arctic sources.

    PubMed

    Friedman, Carey L; Selin, Noelle E

    2012-09-04

    We use the global 3-D chemical transport model GEOS-Chem to simulate long-range atmospheric transport of polycyclic aromatic hydrocarbons (PAHs). To evaluate the model's ability to simulate PAHs with different volatilities, we conduct analyses for phenanthrene (PHE), pyrene (PYR), and benzo[a]pyrene (BaP). GEOS-Chem captures observed seasonal trends with no statistically significant difference between simulated and measured mean annual concentrations. GEOS-Chem also captures variability in observed concentrations at nonurban sites (r = 0.64, 0.72, and 0.74, for PHE, PYR, and BaP). Sensitivity simulations suggest snow/ice scavenging is important for gas-phase PAHs, and on-particle oxidation and temperature-dependency of gas-particle partitioning have greater effects on transport than irreversible partitioning or increased particle concentrations. GEOS-Chem estimates mean atmospheric lifetimes of <1 day for all three PAHs. Though corresponding half-lives are lower than the 2-day screening criterion for international policy action, we simulate concentrations at the high-Arctic station of Spitsbergen within four times observed concentrations with strong correlation (r = 0.70, 0.68, and 0.70 for PHE, PYR, and BaP). European and Russian emissions combined account for ~80% of episodic high-concentration events at Spitsbergen.

  14. 3D SERS imaging based on chemically-synthesized highly-symmetric nanoporous silver microparticles

    NASA Astrophysics Data System (ADS)

    Ozaki, Yukihiro; Vantasin, Sanpon; Ji, Wei; Tanaka, Yoshito; Kitahama, Yasutaka; Wongrawee, Kanet; Ekgasit, Sanong

    2016-09-01

    This study presents the synthesis, SERS properties in three dimensions, and an application of 3D symmetric nanoporous silver microparticles. The particles are synthesized by purely chemical process: controlled precipitation of AgCl to acquire highly symmetric AgCl microparticle, followed by in-place to convert AgCl into nanoporous silver. The particles display highly predictable SERS enhancement pattern in three dimensions, which resembles particle shape and retains symmetry. The highly regular enhancement pattern allows an application in the study of inhomogeneity in two-layer polymer system, by improving spatial resolution in Z axis.

  15. Fast 3D Chemical Exchange Saturation Transfer (CEST) Imaging of the Human Brain

    PubMed Central

    Zhu, He; Jones, Craig K.; van Zijl, Peter C. M.; Barker, Peter B.; Zhou, Jinyuan

    2010-01-01

    Chemical exchange saturation transfer (CEST) MRI can detect low-concentration compounds with exchangeable protons through saturation transfer to water. CEST imaging is generally slow, as it requires acquisition of saturation images at multiple frequencies. In addition, multi-slice imaging is complicated by saturation effects differing from slice to slice because of relaxation losses. In this study, a fast three-dimensional (3D) CEST imaging sequence is presented that allows whole-brain coverage for a frequency-dependent saturation spectrum (z-spectrum, 26 frequencies) in less than 10 min. The approach employs a 3D gradient- and spin-echo (GRASE) readout using a prototype 32-channel phased-array coil, combined with two-dimensional SENSE accelerations. Results from a homogenous protein-containing phantom at 3T show that the sequence produced a uniform contrast across all slices. To show translational feasibility, scans were also performed on five healthy human subjects. Results for CEST images at 3.5ppm downfield of the water resonance, so-called amide proton transfer (APT) images, show that lipid signals are sufficiently suppressed and artifacts caused by B0 inhomogeneity can be removed in post-processing. The scan time and image quality of these in vivo results show that 3D CEST MRI using GRASE acquisition is feasible for whole-brain CEST studies at 3T in a clinical time frame. PMID:20632402

  16. A 3D Chemically Modified Graphene Hydrogel for Fast, Highly Sensitive, and Selective Gas Sensor

    PubMed Central

    Wu, Jin; Tao, Kai; Guo, Yuanyuan; Li, Zhong; Wang, Xiaotian; Luo, Zhongzhen; Du, Chunlei; Chen, Di; Norford, Leslie K.

    2016-01-01

    Reduced graphene oxide (RGO) has proved to be a promising candidate in high‐performance gas sensing in ambient conditions. However, trace detection of different kinds of gases with simultaneously high sensitivity and selectivity is challenging. Here, a chemiresistor‐type sensor based on 3D sulfonated RGO hydrogel (S‐RGOH) is reported, which can detect a variety of important gases with high sensitivity, boosted selectivity, fast response, and good reversibility. The NaHSO3 functionalized RGOH displays remarkable 118.6 and 58.9 times higher responses to NO2 and NH3, respectively, compared with its unmodified RGOH counterpart. In addition, the S‐RGOH sensor is highly responsive to volatile organic compounds. More importantly, the characteristic patterns on the linearly fitted response–temperature curves are employed to distinguish various gases for the first time. The temperature of the sensor is elevated rapidly by an imbedded microheater with little power consumption. The 3D S‐RGOH is characterized and the sensing mechanisms are proposed. This work gains new insights into boosting the sensitivity of detecting various gases by combining chemical modification and 3D structural engineering of RGO, and improving the selectivity of gas sensing by employing temperature dependent response characteristics of RGO for different gases. PMID:28331786

  17. Development and Validation of a Polarimetric-MCScene 3D Atmospheric Radiation Model

    SciTech Connect

    Berk, Alexander; Hawes, Frederick; Fox, Marsha

    2016-03-15

    Polarimetric measurements can substantially enhance the ability of both spectrally resolved and single band imagery to detect the proliferation of weapons of mass destruction, providing data for locating and identifying facilities, materials, and processes of undeclared and proliferant nuclear weapons programs worldwide. Unfortunately, models do not exist that efficiently and accurately predict spectral polarized signatures for the materials of interest embedded in complex 3D environments. Having such a model would enable one to test hypotheses and optimize both the enhancement of scene contrast and the signal processing for spectral signature extraction. The Phase I set the groundwork for development of fully validated polarimetric spectral signature and scene simulation models. This has been accomplished 1. by (a) identifying and downloading state-of-the-art surface and atmospheric polarimetric data sources, (b) implementing tools for generating custom polarimetric data, and (c) identifying and requesting US Government funded field measurement data for use in validation; 2. by formulating an approach for upgrading the radiometric spectral signature model MODTRAN to generate polarimetric intensities through (a) ingestion of the polarimetric data, (b) polarimetric vectorization of existing MODTRAN modules, and (c) integration of a newly developed algorithm for computing polarimetric multiple scattering contributions; 3. by generating an initial polarimetric model that demonstrates calculation of polarimetric solar and lunar single scatter intensities arising from the interaction of incoming irradiances with molecules and aerosols; 4. by developing a design and implementation plan to (a) automate polarimetric scene construction and (b) efficiently sample polarimetric scattering and reflection events, for use in a to be developed polarimetric version of the existing first-principles synthetic scene simulation model, MCScene; and 5. by planning a validation field

  18. 3D Simulations of the variability of the atmospheric escape at Mars with the EUV solar flux

    NASA Astrophysics Data System (ADS)

    Chaufray, J.-Y.; Leblanc, F.; Modolo, R.; Gonzalez-Galindo, F.; Lopez-Valverde, M.; Forget, F.

    2014-04-01

    The exosphere is the collisionless region surrounding a planetary atmosphere. The exosphere of Mars is an important region to characterize the escape processes. It is mainly formed from processes responsible of the atmospheric escape in the underlying atmosphere/ionosphere. The Martian exosphere is mainly composed of atomic hydrogen, molecular hydrogen and atomic oxygen. Atomic and molecular hydrogen escape is dominated by the thermal escape while the oxygen escape is dominated by the O2+ dissociative recombination in the Martian upper ionosphere. Therefore their escape rates are expected to vary strongly with the EUV solar flux which is the main driver of the heating and ionization of the Martian upper atmosphere. In this presentation, we will present simulations obtained from a 3D Martian exospheric model, coupled to the 3D GCM-LMD model for different solar UV conditions representative of current and past conditions.

  19. Exploring 3D structural influences of aliphatic and aromatic chemicals on α-cyclodextrin binding.

    PubMed

    Linden, Lukas; Goss, Kai-Uwe; Endo, Satoshi

    2016-04-15

    Binding of solutes to macromolecules is often influenced by steric effects caused by the 3D structures of both binding partners. In this study, the 1:1 α-cyclodextrin (αCD) binding constants (Ka1) for 70 organic chemicals were determined to explore the solute-structural effects on the αCD binding. Ka1 was measured using a three-part partitioning system with either a headspace or a passive sampler serving as the reference phase. The Ka1 values ranged from 1.08 to 4.97 log units. The results show that longer linear aliphatic chemicals form more stable complexes than shorter ones, and that the position of the functional group has a strong influence on Ka1, even stronger than the type of the functional group. Comparison of linear and variously branched aliphatic chemicals indicates that having a sterically unhindered alkyl chain is favorable for binding. These results suggest that only one alkyl chain can enter the binding cavity. Relatively small aromatic chemicals such as 1,3-dichlorobenzene bind to αCD well, while larger ones like tetrachlorobenzene and 3-ring aromatic chemicals show only a weak interaction with αCD, which can be explained by cavity exclusion. The findings of this study help interpret cyclodextrin binding data and facilitate the understanding of binding processes to macromolecules.

  20. Discovering More Chemical Concepts from 3D Chemical Information Searches of Crystal Structure Databases

    ERIC Educational Resources Information Center

    Rzepa, Henry S.

    2016-01-01

    Three new examples are presented illustrating three-dimensional chemical information searches of the Cambridge structure database (CSD) from which basic core concepts in organic and inorganic chemistry emerge. These include connecting the regiochemistry of aromatic electrophilic substitution with the geometrical properties of hydrogen bonding…

  1. 3D Atmospheric Radiative Transfer for Cloud System-Resolving Models: Forward Modelling and Observations

    SciTech Connect

    Howard Barker; Jason Cole

    2012-05-17

    Utilization of cloud-resolving models and multi-dimensional radiative transfer models to investigate the importance of 3D radiation effects on the numerical simulation of cloud fields and their properties.

  2. Atmospheric Motion Vectors from INSAT-3D: Initial quality assessment and its impact on track forecast of cyclonic storm NANAUK

    NASA Astrophysics Data System (ADS)

    Deb, S. K.; Kishtawal, C. M.; Kumar, Prashant; Kiran Kumar, A. S.; Pal, P. K.; Kaushik, Nitesh; Sangar, Ghansham

    2016-03-01

    The advanced Indian meteorological geostationary satellite INSAT-3D was launched on 26 July 2013 with an improved imager and an infrared sounder and is placed at 82°E over the Indian Ocean region. With the advancement in retrieval techniques of different atmospheric parameters and with improved imager data have enhanced the scope for better understanding of the different tropical atmospheric processes over this region. The retrieval techniques and accuracy of one such parameter, Atmospheric Motion Vectors (AMV) has improved significantly with the availability of improved spatial resolution data along with more options of spectral channels in the INSAT-3D imager. The present work is mainly focused on providing brief descriptions of INSAT-3D data and AMV derivation processes using these data. It also discussed the initial quality assessment of INSAT-3D AMVs for a period of six months starting from 01 February 2014 to 31 July 2014 with other independent observations: i) Meteosat-7 AMVs available over this region, ii) in-situ radiosonde wind measurements, iii) cloud tracked winds from Multi-angle Imaging Spectro-Radiometer (MISR) and iv) numerical model analysis. It is observed from this study that the qualities of newly derived INSAT-3D AMVs are comparable with existing two versions of Meteosat-7 AMVs over this region. To demonstrate its initial application, INSAT-3D AMVs are assimilated in the Weather Research and Forecasting (WRF) model and it is found that the assimilation of newly derived AMVs has helped in reduction of track forecast errors of the recent cyclonic storm NANAUK over the Arabian Sea. Though, the present study is limited to its application to one case study, however, it will provide some guidance to the operational agencies for implementation of this new AMV dataset for future applications in the Numerical Weather Prediction (NWP) over the south Asia region.

  3. Facile synthesis 3D flexible core-shell graphene/glass fiber via chemical vapor deposition

    PubMed Central

    2014-01-01

    Direct deposition of graphene layers on the flexible glass fiber surface to form the three-dimensional (3D) core-shell structures is offered using a two-heating reactor chemical vapor deposition system. The two-heating reactor is utilized to offer sufficient, well-proportioned floating C atoms and provide a facile way for low-temperature deposition. Graphene layers, which are controlled by changing the growth time, can be grown on the surface of wire-type glass fiber with the diameter from 30 nm to 120 um. The core-shell graphene/glass fiber deposition mechanism is proposed, suggesting that the 3D graphene films can be deposited on any proper wire-type substrates. These results open a facile way for direct and high-efficiency deposition of the transfer-free graphene layers on the low-temperature dielectric wire-type substrates. PACS 81.05.U-; 81.07.-b; 81.15.Gh PMID:25170331

  4. 3D geometry and hydrodynamic modifications in fractured and porous rock samples through chemical alterations.

    NASA Astrophysics Data System (ADS)

    Noiriel, C. N.

    2011-12-01

    Fractured and porous rocks are the principal path for water flow and potential contamination. Modification of fracture topology and transmissivity by reactive fluids is an important and complex geological process. In carbonate rocks, fractures and porous media properties may change quickly and strongly due to natural processes (e.g. karstification, salt intrusion) or anthropogenic practice (e.g. CO2 geological sequestration). Recent application of X-ray micro-tomography to the Earth Sciences, which allows the visualization of 3D objects with a micrometre resolution, has considerably increased experimental capability by giving access to a 4D spatio-temporal vision (3D geometry + time) of the physical-chemical processes within the rocks. New information is now accessible, which provides a better understanding of the processes and allows the numerical models to be better constrained. I will present the application of X-ray micro-tomography to study changes of petrophysical properties (e.g. porosity, permeability, mineral surface area, etc.) of fractured and porous rocks in response to fluid-rock interactions (dissolution and precipitation). Experimental results will be discussed in regard to numerical modelling of flow and transport. Keywords: X-ray micro-tomography, fracture, porous media, dissolution, precipitation, carbon dioxide sequestration, limestone, reactive surface, geochemical modelling,

  5. Regenerating Pt-3d-Pt model electrocatalysts through oxidation-reduction cycles monitored at atmospheric pressure

    NASA Astrophysics Data System (ADS)

    Menning, Carl A.; Chen, Jingguang G.

    The interchange between the Pt-Ni-Pt and Ni-Pt-Pt bimetallic configurations in O 2 and H 2 is confirmed experimentally at atmospheric pressure using in situ X-ray absorption spectroscopy (XAS). The subsurface Pt-3d-Pt structure, a desirable configuration as cathode electrocatalysts for PEM fuel cells, is found to be preferred in the reducing environment of H 2 whereas the surface 3d-Pt-Pt configuration is preferred in O 2. This process has been found to be reversible, providing useful insights into the maintenance and regeneration of the desirable subsurface structure.

  6. Dynamic 3-D chemical agent cloud mapping using a sensor constellation deployed on mobile platforms

    NASA Astrophysics Data System (ADS)

    Cosofret, Bogdan R.; Konno, Daisei; Rossi, David; Marinelli, William J.; Seem, Pete

    2014-05-01

    The need for standoff detection technology to provide early Chem-Bio (CB) threat warning is well documented. Much of the information obtained by a single passive sensor is limited to bearing and angular extent of the threat cloud. In order to obtain absolute geo-location, range to threat, 3-D extent and detailed composition of the chemical threat, fusion of information from multiple passive sensors is needed. A capability that provides on-the-move chemical cloud characterization is key to the development of real-time Battlespace Awareness. We have developed, implemented and tested algorithms and hardware to perform the fusion of information obtained from two mobile LWIR passive hyperspectral sensors. The implementation of the capability is driven by current Nuclear, Biological and Chemical Reconnaissance Vehicle operational tactics and represents a mission focused alternative of the already demonstrated 5-sensor static Range Test Validation System (RTVS).1 The new capability consists of hardware for sensor pointing and attitude information which is made available for streaming and aggregation as part of the data fusion process for threat characterization. Cloud information is generated using 2-sensor data ingested into a suite of triangulation and tomographic reconstruction algorithms. The approaches are amenable to using a limited number of viewing projections and unfavorable sensor geometries resulting from mobile operation. In this paper we describe the system architecture and present an analysis of results obtained during the initial testing of the system at Dugway Proving Ground during BioWeek 2013.

  7. Chemical Structure-Biological Activity Models for Pharmacophores’ 3D-Interactions

    PubMed Central

    Putz, Mihai V.; Duda-Seiman, Corina; Duda-Seiman, Daniel; Putz, Ana-Maria; Alexandrescu, Iulia; Mernea, Maria; Avram, Speranta

    2016-01-01

    Within medicinal chemistry nowadays, the so-called pharmaco-dynamics seeks for qualitative (for understanding) and quantitative (for predicting) mechanisms/models by which given chemical structure or series of congeners actively act on biological sites either by focused interaction/therapy or by diffuse/hazardous influence. To this aim, the present review exposes three of the fertile directions in approaching the biological activity by chemical structural causes: the special computing trace of the algebraic structure-activity relationship (SPECTRAL-SAR) offering the full analytical counterpart for multi-variate computational regression, the minimal topological difference (MTD) as the revived precursor for comparative molecular field analyses (CoMFA) and comparative molecular similarity indices analysis (CoMSIA); all of these methods and algorithms were presented, discussed and exemplified on relevant chemical medicinal systems as proton pump inhibitors belonging to the 4-indolyl,2-guanidinothiazole class of derivatives blocking the acid secretion from parietal cells in the stomach, the 1-[(2-hydroxyethoxy)-methyl]-6-(phenylthio)thymine congeners’ (HEPT ligands) antiviral activity against Human Immunodeficiency Virus of first type (HIV-1) and new pharmacophores in treating severe genetic disorders (like depression and psychosis), respectively, all involving 3D pharmacophore interactions. PMID:27399692

  8. Chemical Structure-Biological Activity Models for Pharmacophores' 3D-Interactions.

    PubMed

    Putz, Mihai V; Duda-Seiman, Corina; Duda-Seiman, Daniel; Putz, Ana-Maria; Alexandrescu, Iulia; Mernea, Maria; Avram, Speranta

    2016-07-08

    Within medicinal chemistry nowadays, the so-called pharmaco-dynamics seeks for qualitative (for understanding) and quantitative (for predicting) mechanisms/models by which given chemical structure or series of congeners actively act on biological sites either by focused interaction/therapy or by diffuse/hazardous influence. To this aim, the present review exposes three of the fertile directions in approaching the biological activity by chemical structural causes: the special computing trace of the algebraic structure-activity relationship (SPECTRAL-SAR) offering the full analytical counterpart for multi-variate computational regression, the minimal topological difference (MTD) as the revived precursor for comparative molecular field analyses (CoMFA) and comparative molecular similarity indices analysis (CoMSIA); all of these methods and algorithms were presented, discussed and exemplified on relevant chemical medicinal systems as proton pump inhibitors belonging to the 4-indolyl,2-guanidinothiazole class of derivatives blocking the acid secretion from parietal cells in the stomach, the 1-[(2-hydroxyethoxy)-methyl]-6-(phenylthio)thymine congeners' (HEPT ligands) antiviral activity against Human Immunodeficiency Virus of first type (HIV-1) and new pharmacophores in treating severe genetic disorders (like depression and psychosis), respectively, all involving 3D pharmacophore interactions.

  9. Zig-Zag Thermal-Chemical 3-D Instabilities in the Mantle Wedge: Numerical Study

    NASA Astrophysics Data System (ADS)

    Zhu, G.; Gerya, T. V.; Arcay, D.; Yuen, D. A.

    2008-12-01

    To understand the plume initiation and propagation it is important to understand whether small-scale convection is occurring under the back-arc in the Low Viscosity Wedge(LVW) and its implication on the island-arc volcanism. Honda et al. [Honda and Saito, 2003; Honda, et al., 2007]) already deployed small- scale convection in the Low Viscosity Wedge (LVW) above a subducting slab with kinematically imposed velocity boundary condition. They have suggested that a roll (finger)-like pattern of hot and cold anomalies emerges in the mantle wedge above the subducting slab. Here, we perform three-dimensional coupled petrological-thermomechanical numerical simulations of intraoceanic one-sided subduction with spontaneously bending retreating slab characterized by weak hydrated upper interface by using multigrid approach combined with characteristics-based marker-in-cell method with conservative finite difference schemes[Gerya and Yuen, 2003a], to investigate the 3D instabilities above the slab and lateral variation along the arc. Our results show that water released from subducting slab through dehydration reactions may lower the viscosity of the mantle. It allows the existence of wave-like small-scale convection in the LVW, which is shown as roll-like structure in 2D petrological-thermomechanical numerical experiments [Gorczyk et al., 2006] using in-situ rock properties computed on the basis of Gibbs free energy minimization. However, in our 3D cases, the rolls aligning with the arc mainly occur earlier , while zig-zag small-scale thermal-chemical instabilities may episodically form above the slab at later stages, which is different from the aligning finger-like pattern in purely thermal models (Honda et al,2003;2007). Also in contrast to thermal convection chemically buoyant hydrated plumes rising from the slab in our models are actually colder then the mantle wedge [Gerya and Yuen 2003b] which also strongly modify both the convection pattern and the seismic structure in

  10. Developing a 3D constrained variational analysis method to obtain accurate gridded atmospheric vertical velocity and horizontal advections

    NASA Astrophysics Data System (ADS)

    Tang, S.; Zhang, M.

    2013-12-01

    Based on the constrained variational analysis (CVA) algorithm developed by Zhang and Lin (1997), a 3-dimensional (3D) version of CVA is developed. The new algorithm used gridded surface and TOA observations as constraints to adjust atmospheric state variables in each grid point to satisfy column-integrated mass, moisture and static energy conservation. From the process of adjustment a set of high-quality 3D large-scale forcing data (vertical velocity and horizontal advections) can be derived to drive Single-Column models (SCM), Cloud-Resolving Models (CRM) and Large-Eddy Simulations (LES) to evaluate and improve parameterizations. Since the 3D CVA can adjust gridded state variables from any data source with observed precipitation, radiation and surface fluxes, it also gives a potential possibility to use this algorithm in data assimilation system to assimilate precipitation and radiation data.

  11. Evaluation of 3D printing and its potential impact on biotechnology and the chemical sciences.

    PubMed

    Gross, Bethany C; Erkal, Jayda L; Lockwood, Sarah Y; Chen, Chengpeng; Spence, Dana M

    2014-04-01

    Nearing 30 years since its introduction, 3D printing technology is set to revolutionize research and teaching laboratories. This feature encompasses the history of 3D printing, reviews various printing methods, and presents current applications. The authors offer an appraisal of the future direction and impact this technology will have on laboratory settings as 3D printers become more accessible.

  12. Constructing an Atmospheric Methane Budget Using 13CH3D and CH2D2 in Sources and Sinks

    NASA Astrophysics Data System (ADS)

    Haghnegahdar, M. A.; Schauble, E. A.; Young, E. D.

    2015-12-01

    We develop a theoretical model using relative abundances and fractionations of 13CH3D and CH2D2, the doubly substituted mass-18 isotopologues of methane, to quantitatively track the sources and the sinks of atmospheric methane. The goal is a better determination of the methane budget in the atmosphere. Different methane sources have different isotope ratios because of variations in substrates, formation reactions, and temperatures. Isotope ratio measurements will provide useful constraints on source components and sink processes. However, bulk isotope ratios alone are unlikely to be diagnostic because of mixing of sources. Using recently published budgets (Whiticar and Schaefer 2007) and estimates of equilibration temperatures of various methane sources (Stolper et al., 2014; Wang et al., 2015), including an assumption that biogenic methane sources are near-stochastic (Wang et al., 2015), we estimated the abundances in air of singly- and doubly-substituted isotopologues in terms of both bulk ratios and deviations from the stochastic distributions of multiply-substituted species. δ13CH3D and δCH2D2 for the total atmospheric sources are predicted to be -493‰ and -330‰, whereas Δ13CH3D, and ΔCH2D2, enrichments relative to stochastic, are predicted to be +4.7‰ and +21.5‰. The composition of atmospheric methane will also be influenced by sink reactions. The main sink reactions with OH• and Cl• have been modeled with first-principles transition state theory, using simplified corrections for tunneling (Wigner 1932). Our model predicts that the main sink reactions in the atmosphere generate distinct signatures of lower Δ13CH3D and ΔCH2D2 relative to the source composition, while at the same time increasing δ13CH3D and δCH2D2. Measurements of both Δ13CH3D and ΔCH2D2 are now possible with the new large-geometry gas-source mass spectrometer at UCLA permitting testing of these predictions.

  13. Global atmospheric budget of acetaldehyde: 3-D model analysis and constraints from in-situ and satellite observations

    NASA Astrophysics Data System (ADS)

    Millet, D. B.; Guenther, A.; Siegel, D. A.; Nelson, N. B.; Singh, H. B.; de Gouw, J. A.; Warneke, C.; Williams, J.; Eerdekens, G.; Sinha, V.; Karl, T.; Flocke, F.; Apel, E.; Riemer, D. D.; Palmer, P. I.; Barkley, M.

    2010-04-01

    We construct a global atmospheric budget for acetaldehyde using a 3-D model of atmospheric chemistry (GEOS-Chem), and use an ensemble of observations to evaluate present understanding of its sources and sinks. Hydrocarbon oxidation provides the largest acetaldehyde source in the model (128 Tg a-1, a factor of 4 greater than the previous estimate), with alkanes, alkenes, and ethanol the main precursors. There is also a minor source from isoprene oxidation. We use an updated chemical mechanism for GEOS-Chem, and photochemical acetaldehyde yields are consistent with the Master Chemical Mechanism. We present a new approach to quantifying the acetaldehyde air-sea flux based on the global distribution of light absorption due to colored dissolved organic matter (CDOM) derived from satellite ocean color observations. The resulting net ocean emission is 57 Tg a-1, the second largest global source of acetaldehyde. A key uncertainty is the acetaldehyde turnover time in the ocean mixed layer, with quantitative model evaluation over the ocean complicated by known measurement artifacts in clean air. Simulated concentrations in surface air over the ocean generally agree well with aircraft measurements, though the model tends to overestimate the vertical gradient. PAN:NOx ratios are well-simulated in the marine boundary layer, providing some support for the modeled ocean source. We introduce the Model of Emissions of Gases and Aerosols from Nature (MEGANv2.1) for acetaldehyde and ethanol and use it to quantify their net flux from living terrestrial plants. Including emissions from decaying plants the total direct acetaldehyde source from the land biosphere is 23 Tg a-1. Other terrestrial acetaldehyde sources include biomass burning (3 Tg a-1) and anthropogenic emissions (2 Tg a-1). Simulated concentrations in the continental boundary layer are generally unbiased and capture the spatial gradients seen in observations over North America, Europe, and tropical South America. However

  14. Global atmospheric budget of acetaldehyde: 3-D model analysis and constraints from in-situ and satellite observations

    NASA Astrophysics Data System (ADS)

    Millet, D. B.; Guenther, A.; Siegel, D. A.; Nelson, N. B.; Singh, H. B.; de Gouw, J. A.; Warneke, C.; Williams, J.; Eerdekens, G.; Sinha, V.; Karl, T.; Flocke, F.; Apel, E.; Riemer, D. D.; Palmer, P. I.; Barkley, M.

    2009-11-01

    We construct a global atmospheric budget for acetaldehyde using a 3-D model of atmospheric chemistry (GEOS-Chem), and use an ensemble of observations to evaluate present understanding of its sources and sinks. Hydrocarbon oxidation provides the largest acetaldehyde source in the model (130 Tg a-1), with alkanes, alkenes, ethanol, and isoprene the main precursors. We use an updated chemical mechanism for GEOS-Chem, and photochemical acetaldehyde yields are consistent with the Master Chemical Mechanism. We apply SeaWiFS satellite observations to define the global distribution of light absorption due to marine dissolved organic matter (DOM), and estimate the corresponding sea-to-air acetaldehyde flux based on measured photoproduction rates from DOM. The resulting net ocean emission is 58 Tg a-1, the second largest global source of acetaldehyde. Quantitative model evaluation over the ocean is complicated by known measurement artifacts in clean air. Simulated concentrations in surface air over the ocean generally agree well with aircraft measurements, though the model tends to overestimate the vertical gradient. PAN:NOx ratios are well-simulated in the marine boundary layer, providing some support for the modeled ocean source. A key uncertainty is the acetaldehyde turnover time in the ocean mixed layer. We introduce the Model of Emissions of Gases and Aerosols from Nature (MEGANv2.1) for acetaldehyde and ethanol and use it to quantify their net flux from living terrestrial plants. Including emissions from decaying plants the total direct acetaldehyde source from the land biosphere is 22 Tg a-1. Other terrestrial acetaldehyde sources include biomass burning (3 Tg a-1) and anthropogenic emissions (2 Tg a-1). Simulated concentrations in the continental boundary layer are generally unbiased and capture the spatial gradients seen in observations over North America, Europe, and tropical South America. However, the model underestimates acetaldehyde levels in urban outflow

  15. A Chemical Approach to 3-D Lithographic Patterning of Si and GeNanocrystals

    SciTech Connect

    Sharp, I.D.; Xu, Q.; Yi, D.O.; Liao, C.Y.; Ager III, J.W.; Beeman, J.W.; Yu, K.M.; Robinson, J.T.; Dubon, O.D.; Chrzan, D.C.; Haller, E.E.

    2005-12-12

    Ion implantation into silica followed by thermal annealingis an established growth method for Si and Ge nanocrystals. Wedemonstrate that growth of Group IV semiconductor nanocrystals can besuppressed by co-implantation of oxygen prior to annealing. For Sinanocrystals, at low Si/O dose ratios, oxygen co-implantation leads to areduction of the average nanocrystal size and a blue-shift of thephotoluminescence emission energy. For both Si and Ge nanocrystals, atlarger Si/O or Ge/O dose ratios, the implanted specie is oxidized andnanocrystals do not form. This chemical deactivation was utilized toachieve patterned growth of Si and Ge nanocrystals. Si was implanted intoa thin SiO2 film on a Si substrate followed by oxygen implantationthrough an electron beam lithographically defined stencil mask. Thermalannealing of the co-implanted structure yields two-dimensionallypatterned growth of Si nanocrystals under the masked regions. We applieda previously developed process to obtain exposed nanocrystals byselective HF etching of the silica matrix to these patterned structures.Atomic force microscopy (AFM) of etched structures revealed that exposednanocrystals are not laterally displaced from their original positionsduring the etching process. Therefore, this process provides a means ofachieving patterned structures of exposed nanocrystals. The possibilitiesfor scaling this chemical-based lithography process to smaller featuresand for extending it to 3-D patterning is discussed.

  16. 3D Mapping of plasma effective areas via detection of cancer cell damage induced by atmospheric pressure plasma jets

    NASA Astrophysics Data System (ADS)

    Han, Xu; Liu, Yueing; Stack, M. Sharon; Ptasinska, Sylwia

    2014-12-01

    In the present study, a nitrogen atmospheric pressure plasma jet (APPJ) was used for irradiation of oral cancer cells. Since cancer cells are very susceptible to plasma treatment, they can be used as a tool for detection of APPJ-effective areas, which extended much further than the visible part of the APPJ. An immunofluorescence assay was used for DNA damage identification, visualization and quantification. Thus, the effective damage area and damage level were determined and plotted as 3D images.

  17. Atmospheric nonequilibrium mini-plasma jet created by a 3D printer

    SciTech Connect

    Takamatsu, Toshihiro; Kawano, Hiroaki; Miyahara, Hidekazu; Okino, Akitoshi; Azuma, Takeshi

    2015-07-15

    In this study, a small-sized plasma jet source with a 3.7 mm head diameter was created via a 3D printer. The jet’s emission properties and OH radical concentrations (generated by argon, helium, and nitrogen plasmas) were investigated using optical emission spectrometry (OES) and electron spin resonance (ESR). As such, for OES, each individual gas plasma propagates emission lines that derive from gases and ambient air inserted into the measurement system. For the case of ESR, a spin adduct of the OH radical is typically observed for all gas plasma treatment scenarios with a 10 s treatment by helium plasma generating the largest amount of OH radicals at 110 μM. Therefore, it was confirmed that a plasma jet source made by a 3D printer can generate stable plasmas using each of the aforementioned three gases.

  18. Comparing 3D Solar Model Atmospheres with Observations: Hydrogen Lines and Centre-to-limb Variations

    NASA Astrophysics Data System (ADS)

    Pereira, Tiago M. D.; Asplund, Martin; Trampedach, Regner

    Three dimensional hydrodynamical stellar model atmospheres represent a major step forward in stellar spectroscopy. Making use of radiative-hydrodynamical convection simulations that contain no adjustable free parameters, the model atmospheres provide a robust and realistic treatment of convection. These models have been applied to several lines in the Sun and other stars, yielding an excellent agreement with observations (e.g., Asplund et al. (2000) [1]).

  19. ChemEngine: harvesting 3D chemical structures of supplementary data from PDF files.

    PubMed

    Karthikeyan, Muthukumarasamy; Vyas, Renu

    2016-01-01

    Digital access to chemical journals resulted in a vast array of molecular information that is now available in the supplementary material files in PDF format. However, extracting this molecular information, generally from a PDF document format is a daunting task. Here we present an approach to harvest 3D molecular data from the supporting information of scientific research articles that are normally available from publisher's resources. In order to demonstrate the feasibility of extracting truly computable molecules from PDF file formats in a fast and efficient manner, we have developed a Java based application, namely ChemEngine. This program recognizes textual patterns from the supplementary data and generates standard molecular structure data (bond matrix, atomic coordinates) that can be subjected to a multitude of computational processes automatically. The methodology has been demonstrated via several case studies on different formats of coordinates data stored in supplementary information files, wherein ChemEngine selectively harvested the atomic coordinates and interpreted them as molecules with high accuracy. The reusability of extracted molecular coordinate data was demonstrated by computing Single Point Energies that were in close agreement with the original computed data provided with the articles. It is envisaged that the methodology will enable large scale conversion of molecular information from supplementary files available in the PDF format into a collection of ready- to- compute molecular data to create an automated workflow for advanced computational processes. Software along with source codes and instructions available at https://sourceforge.net/projects/chemengine/files/?source=navbar.Graphical abstract.

  20. 3D Visualization of Monte-Carlo Simulation's of HZE Track Structure and Initial Chemical Species

    NASA Technical Reports Server (NTRS)

    Plante, Ianik; Cucinotta, Francis A.

    2009-01-01

    Heavy ions biophysics is important for space radiation risk assessment [1] and hadron-therapy [2]. The characteristic of heavy ions tracks include a very high energy deposition region close to the track (<20 nm) denoted as the track core, and an outer penumbra region consisting of individual secondary electrons (6-rays). A still open question is the radiobiological effects of 6- rays relative to the track core. Of importance is the induction of double-strand breaks (DSB) [3] and oxidative damage to the biomolecules and the tissue matrix, considered the most important lesions for acute and long term effects of radiation. In this work, we have simulated a 56Fe26+ ion track of 1 GeV/amu with our Monte-Carlo code RITRACKS [4]. The simulation results have been used to calculate the energy depiction and initial chemical species in a "voxelized" space, which is then visualized in 3D. Several voxels with dose >1000 Gy are found in the penumbra, some located 0.1 mm from the track core. In computational models, the DSB induction probability is calculated with radial dose [6], which may not take into account the higher RBE of electron track ends for DSB induction. Therefore, these simulations should help improve models of DSB induction and our understanding of heavy ions biophysics.

  1. EDCs DataBank: 3D-Structure database of endocrine disrupting chemicals.

    PubMed

    Montes-Grajales, Diana; Olivero-Verbel, Jesus

    2015-01-02

    Endocrine disrupting chemicals (EDCs) are a group of compounds that affect the endocrine system, frequently found in everyday products and epidemiologically associated with several diseases. The purpose of this work was to develop EDCs DataBank, the only database of EDCs with three-dimensional structures. This database was built on MySQL using the EU list of potential endocrine disruptors and TEDX list. It contains the three-dimensional structures available on PubChem, as well as a wide variety of information from different databases and text mining tools, useful for almost any kind of research regarding EDCs. The web platform was developed employing HTML, CSS and PHP languages, with dynamic contents in a graphic environment, facilitating information analysis. Currently EDCs DataBank has 615 molecules, including pesticides, natural and industrial products, cosmetics, drugs and food additives, among other low molecular weight xenobiotics. Therefore, this database can be used to study the toxicological effects of these molecules, or to develop pharmaceuticals targeting hormone receptors, through docking studies, high-throughput virtual screening and ligand-protein interaction analysis. EDCs DataBank is totally user-friendly and the 3D-structures of the molecules can be downloaded in several formats. This database is freely available at http://edcs.unicartagena.edu.co.

  2. (Bio)Chemical Tailoring of Biogenic 3-D Nanopatterned Templates with Energy-Relevant Functionalities

    SciTech Connect

    Sandhage, Kenneth H; Kroger, Nils

    2014-09-08

    The overall aim of this research has been to obtain fundamental understanding of (bio)chemical methodologies that will enable utilization of the unique 3-D nanopatterned architectures naturally produced by diatoms for the syntheses of advanced functional materials attractive for applications in energy harvesting/conversion and storage. This research has been conducted in three thrusts: Thrust 1 (In vivo immobilization of proteins in diatom biosilica) is directed towards elucidating the fundamental mechanism(s) underlying the cellular processes of in vivo immobilization of proteins in diatom silica. Thrust 2 (Shape-preserving reactive conversion of diatom biosilica into porous, high-surface area inorganic replicas) is aimed at understanding the fundamental mechanisms of shape preservation and nanostructural evolution associated with the reactive conversion and/or coating-based conversion of diatom biosilica templates into porous inorganic replicas. Thrust 3 (Immobilization of energy-relevant enzymes in diatom biosilica and onto diatom biosilica-derived inorganic replicas) involves use of the results from both Thrust 1 and 2 to develop strategies for in vivo and in vitro immobilization of enzymes in/on diatom biosilica and diatom biosilica-derived inorganic replicas, respectively. This Final Report describes progress achieved in all 3 of these thrusts.

  3. Capturing atmospheric effects on 3D millimeter wave radar propagation patterns

    NASA Astrophysics Data System (ADS)

    Cook, Richard D.; Fiorino, Steven T.; Keefer, Kevin J.; Stringer, Jeremy

    2016-05-01

    Traditional radar propagation modeling is done using a path transmittance with little to no input for weather and atmospheric conditions. As radar advances into the millimeter wave (MMW) regime, atmospheric effects such as attenuation and refraction become more pronounced than at traditional radar wavelengths. The DoD High Energy Laser Joint Technology Offices High Energy Laser End-to-End Operational Simulation (HELEEOS) in combination with the Laser Environmental Effects Definition and Reference (LEEDR) code have shown great promise simulating atmospheric effects on laser propagation. Indeed, the LEEDR radiative transfer code has been validated in the UV through RF. Our research attempts to apply these models to characterize the far field radar pattern in three dimensions as a signal propagates from an antenna towards a point in space. Furthermore, we do so using realistic three dimensional atmospheric profiles. The results from these simulations are compared to those from traditional radar propagation software packages. In summary, a fast running method has been investigated which can be incorporated into computational models to enhance understanding and prediction of MMW propagation through various atmospheric and weather conditions.

  4. Comparisons of 3D data products of the global atmosphere for the past 120 years

    NASA Astrophysics Data System (ADS)

    Brönnimann, Stefan; Stickler, Alexander; Compo, Gilbert P.

    2010-05-01

    In order to better understand, assess, and eventually predict climate variability and extremes, global 3-dimensional data sets of the atmosphere over a sufficiently long time period are needed. Until recently, there were mainly two reanalyses (NCEP/NCAR and ERA-40), which covered the second half of the 20th century. These are the most widely used data sets in atmospheric and climate science, but the period covered is still too short for many purposes. In cooperation with the Atmospheric Circulation Reconstructions over the Earth initiative (R. Allan, UK Met Office, www.met-acre.org/), different data products have been developed recently that allow a 4-dimensional view of the global atmosphere further back than the mid 20th century. These data sets include the Twentieth Century Reanalysis Project (G. P. Compo, P. Sardeshmukh & J. Whitaker, CU/CIRES/CDC and NOAA/ESRL, http://www.esrl.noaa.gov/psd/data/20thC_Rean/), monthly statistical reconstructions, and a new collection of historical upper-air data (CHUAN, see www.historicalupperair.org). In this presentation we show comparisons of the different data products for several case studies as well as statistically using independent data.

  5. Stratospheric Sulphur - 3D Chemical Transport Model Simulations and MIPAS/ENVISAT Satellite Measurements

    NASA Astrophysics Data System (ADS)

    Günther, Annika; Höpfner, Michael; Sinnhuber, Björn-Martin; Stiller, Gabriele; Clarmann, Thomas

    2016-04-01

    In this study processes that regulate the atmospheric distribution, and the budget of carbonyl sulphide (OCS), sulphur dioxide (SO2) and stratospheric sulphate aerosols are investigated in the upper troposphere / lower stratosphere. Sulphate aerosols impact the Earth's climate by backscattering parts of the incoming solar radiation. This negative radiative forcing can lead to reduced surface temperatures and is thought of as one reason for the recent global warming "hiatus". Our study is based on the comparison of modeled and observed data. An isentropic chemical transport model is used, spanning the region from 330 to 3000 K potential temperature (~ 8 - 66 km), driven by ERA-Interim Reanalysis data. The simulations are compared to observations from MIPAS (Michelson Interferometer for Passive Atmospheric Sounding), a limb sounder on the satellite ENVISAT that was operational from July 2002 to April 2012. The focus of our study lies on volcanically emitted SO2 and its dispersion, as main precursor for sulphate aerosol during volcanically perturbed times, with its simulated distribution and lifetime, in comparison to MIPAS SO2 measurements. Moreover data for OCS, as the main source for stratospheric sulphur during volcanically quiescent periods. Furthermore, first results of sulphuric aerosol-mass retrievals from MIPAS are presented. These will be combined with the gaseous sulphur species to obtain a global budget of stratospheric sulphur.

  6. A 3D point of view on the habitability of hot, moist atmospheres

    NASA Astrophysics Data System (ADS)

    Leconte, J.; Forget, F.; Wordsworth, R.; Charnay, B.

    2012-12-01

    Because current exoplanets detection methods are biased toward shorter period orbits, most planets discovered to date have a higher equilibrium temperature than the Earth and Venus. If a substantial amount of water is available at the surface, water vapor could become a major constituent of the atmosphere of these planets, and lead to the so-called runaway or moist greenhouse that determines the inner edge of the traditional habitable zone. Modeling the climate of such hot, moist atmospheres is thus mandatory to understand the atmospheric properties of hot transiting terrestrial exoplanets for which observation should soon be available. However, so far, emphasis has been put on 1D radiative convective models, which cannot well predict the impact of clouds, or the non-linear effect of spatial inhomogeneities. In particular, while these single column models can provide reasonable answers for planets with a dense atmosphere or a rapid rotation which limit large scale temperature contrasts, only a tridimensional model can treat properly the case of close in exoplanets for which the rotation rate is synchronized (or pseudo synchronized for eccentric orbits) with the orbital motion. Indeed, this very peculiar radiative forcing can create a strong day-night side temperature contrast and a very efficient cold trap on the night side that cannot be modeled in 1D. To study the processes determining the inner edge of the habitable zone in a wide variety of contexts, we used the new "generic" LMD GCM developed for exoplanet studies and which notably include a versatile radiative transfer code to simulate any atmospheric cocktail of gases, aerosols and clouds for which optical data exists. For the present work, we have implemented a new water cycle scheme with a more robust treatment of the cloud microphysics, precipitations and water vapor continuum opacity. This allows us to model hot atmospheres with an arbitrarily large amount of water vapor. Using this tridimensional model

  7. Assessing the habitability of planets with Earth-like atmospheres with 1D and 3D climate modeling

    NASA Astrophysics Data System (ADS)

    Godolt, M.; Grenfell, J. L.; Kitzmann, D.; Kunze, M.; Langematz, U.; Patzer, A. B. C.; Rauer, H.; Stracke, B.

    2016-07-01

    Context. The habitable zone (HZ) describes the range of orbital distances around a star where the existence of liquid water on the surface of an Earth-like planet is in principle possible. The applicability of one-dimensional (1D) climate models for the estimation of the HZ boundaries has been questioned by recent three-dimensional (3D) climate studies. While 3D studies can calculate the water vapor, ice albedo, and cloud feedback self-consistently and therefore allow for a deeper understanding and the identification of relevant climate processes, 1D model studies rely on fewer model assumptions and can be more easily applied to the large parameter space possible for extrasolar planets. Aims: We evaluate the applicability of 1D climate models to estimate the potential habitability of Earth-like extrasolar planets by comparing our 1D model results to those of 3D climate studies in the literature. We vary the two important planetary properties, surface albedo and relative humidity, in the 1D model. These depend on climate feedbacks that are not treated self-consistently in most 1D models. Methods: We applied a cloud-free 1D radiative-convective climate model to calculate the climate of Earth-like planets around different types of main-sequence stars with varying surface albedo and relative humidity profile. We compared the results to those of 3D model calculations available in the literature and investigated to what extent the 1D model can approximate the surface temperatures calculated by the 3D models. Results: The 1D parameter study results in a large range of climates possible for an Earth-sized planet with an Earth-like atmosphere and water reservoir at a certain stellar insolation. At some stellar insolations the full spectrum of climate states could be realized, i.e., uninhabitable conditions due to surface temperatures that are too high or too low as well as habitable surface conditions, depending only on the relative humidity and surface albedo assumed. When

  8. Revolutionising incoherent scatter science with EISCAT_3D: A European three-dimensional imaging radar for atmospheric and geospace research

    NASA Astrophysics Data System (ADS)

    Turunen, Esa; McCrea, Ian; Kosch, Mike

    2010-05-01

    EISCAT_3D will be Europe's next-generation radar for the study of the high-latitude atmosphere and geospace, located in northern Fenno-Scandinavia, with capabilities going well beyond anything currently available to the international research community. The facility will consist of several very large active phased-array antenna transmitters/receivers, and multiple passive sites located in three countries. Depending on the available funding, EISCAT_3D will be comprised of tens of thousands, up to more than 100 000, individual antenna elements. EISCAT_3D combines several key attributes which have never before been available together in a single radar, such as volumetric imaging and tracking, aperture synthesis imaging, multistatic configuration, improved sensitivity and transmitter flexibility. The use of advanced beam-forming technology allows the beam direction to be switched in milliseconds, rather than the minutes which it can take to re-position dish-based radars. This allows very wide spatial coverage to be obtained, by interleaving multiple beam directions to carry out quasi-simultaneous volumetric imaging. It also allows objects such as satellites and space debris to be tracked across the sky. At the passive sites, the design allows for at least five simultaneous beams at full bandwidth, rising to over twenty beams if the bandwidth is limited to the ion line, allowing the whole range of the transmitted beam to be imaged from each passive site, using holographic radar techniques. EISCAT_3D has a modular configuration, which allows an active array to be split into smaller elements to be used for aperture synthesis imaging. The result will be an entirely new data product, consisting of range-dependent images of small sub-beamwidth scale structures, with sizes down to 20 m. EISCAT_3D will be the first phased array incoherent scatter radar to use a multistatic configuration. A minimum of five radar sites, consisting of two pairs located around 120 km and 250 km

  9. 3-D Spherical Modelling of the Thermo-Chemical Evolution of Venus' Mantle and Crust

    NASA Astrophysics Data System (ADS)

    Armann, Marina; Tackley, Paul J.

    2010-05-01

    Several first-order aspects of the dynamics of Venus' mantle remain poorly understood. These include (i) how it loses its radiogenic heat despite the presence of stagnant lid convection. Hypotheses that have been advanced (summarised in [Turcotte, JGR 1995]) are conduction through a thin lithosphere, episodic overturn of the lithosphere, magmatic heat transport, and concentration of almost all heat-producing elements into the crust, but there are problems with all of these taken individually. (ii) The relatively long-wavelength distribution of surface features, which is surprising because numerical models and analogue laboratory experiments of stagnant-lid convection produce relatively short-wavelength convective cells. (iii) The inferred (from crater distributions [Hauck et al., JGR 1998]) relatively uniform surface age of 500-700 Ma. (iv) Whether the highlands are above mantle downwellings as on Earth or above mantle upwellings [Bindschadler et al., 1992]. To study these questions, we are performing integrated thermo-chemical convection modelling of Venus' evolution over 4.5 billion years, in 3-D spherical and 2-D spherical annulus [Hernlund and Tackley, PEPI 2008] geometries. These models include "laboratory" rheological parameters based on [Karato and Wu, Science 1993; Yamazaki and Karato, Am. Min. 2001] and plastic yielding based on Byerlee's law, which might cause changes in tectonic regime (e.g., episodic plate tectonics). Crustal formation and the resulting crust-mantle differentiation are modelled using a self-consistent melting criterion. Phase transitions in both the olivine system and pyroxene-garnet system are included. The concentration of heat-producing elements is assumed to be the same as in bulk silicate Earth and decreases with time, and cooling of the core is tracked using a parameterised core heat balance. Geoid and surface topography are calculated using a self-gravitating formulation. Thus, the model constitutes an attempt to incorporate as

  10. 3D magnetic field configuration of small-scale reconnection events in the solar plasma atmosphere

    NASA Astrophysics Data System (ADS)

    Shimizu, T.

    2015-10-01

    The outer solar atmosphere, i.e., the corona and the chromosphere, is replete with small energy-release events, which are accompanied by transient brightening and jet-like ejections. These events are considered to be magnetic reconnection events in the solar plasma, and their dynamics have been studied using recent advanced observations from the Hinode spacecraft and other observatories in space and on the ground. These events occur at different locations in the solar atmosphere and vary in their morphology and amount of the released energy. The magnetic field configurations of these reconnection events are inferred based on observations of magnetic fields at the photospheric level. Observations suggest that these magnetic configurations can be classified into two groups. In the first group, two anti-parallel magnetic fields reconnect to each other, yielding a 2D emerging flux configuration. In the second group, helical or twisted magnetic flux tubes are parallel or at a relative angle to each other. Reconnection can occur only between anti-parallel components of the magnetic flux tubes and may be referred to as component reconnection. The latter configuration type may be more important for the larger class of small-scale reconnection events. The two types of magnetic configurations can be compared to counter-helicity and co-helicity configurations, respectively, in laboratory plasma collision experiments.

  11. COOP 3D ARPA Experiment 109 National Center for Atmospheric Research

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Coupled atmospheric and hydrodynamic forecast models were executed on the supercomputing resources of the National Center for Atmospheric Research (NCAR) in Boulder, Colorado and the Ohio Supercomputing Center (OSC)in Columbus, Ohio. respectively. The interoperation of the forecast models on these geographically diverse, high performance Cray platforms required the transfer of large three dimensional data sets at very high information rates. High capacity, terrestrial fiber optic transmission system technologies were integrated with those of an experimental high speed communications satellite in Geosynchronous Earth Orbit (GEO) to test the integration of the two systems. Operation over a spacecraft in GEO orbit required modification of the standard configuration of legacy data communications protocols to facilitate their ability to perform efficiently in the changing environment characteristic of a hybrid network. The success of this performance tuning enabled the use of such an architecture to facilitate high data rate, fiber optic quality data communications between high performance systems not accessible to standard terrestrial fiber transmission systems. Thus obviating the performance degradation often found in contemporary earth/satellite hybrids.

  12. 3D magnetic field configuration of small-scale reconnection events in the solar plasma atmosphere

    SciTech Connect

    Shimizu, T.

    2015-10-15

    The outer solar atmosphere, i.e., the corona and the chromosphere, is replete with small energy-release events, which are accompanied by transient brightening and jet-like ejections. These events are considered to be magnetic reconnection events in the solar plasma, and their dynamics have been studied using recent advanced observations from the Hinode spacecraft and other observatories in space and on the ground. These events occur at different locations in the solar atmosphere and vary in their morphology and amount of the released energy. The magnetic field configurations of these reconnection events are inferred based on observations of magnetic fields at the photospheric level. Observations suggest that these magnetic configurations can be classified into two groups. In the first group, two anti-parallel magnetic fields reconnect to each other, yielding a 2D emerging flux configuration. In the second group, helical or twisted magnetic flux tubes are parallel or at a relative angle to each other. Reconnection can occur only between anti-parallel components of the magnetic flux tubes and may be referred to as component reconnection. The latter configuration type may be more important for the larger class of small-scale reconnection events. The two types of magnetic configurations can be compared to counter-helicity and co-helicity configurations, respectively, in laboratory plasma collision experiments.

  13. The Stagger-grid: A grid of 3D stellar atmosphere models. I. Methods and general properties

    NASA Astrophysics Data System (ADS)

    Magic, Z.; Collet, R.; Asplund, M.; Trampedach, R.; Hayek, W.; Chiavassa, A.; Stein, R. F.; Nordlund, Å.

    2013-09-01

    Aims: We present the Stagger-grid, a comprehensive grid of time-dependent, three-dimensional (3D), hydrodynamic model atmospheres for late-type stars with realistic treatment of radiative transfer, covering a wide range in stellar parameters. This grid of 3D models is intended for various applications besides studies of stellar convection and atmospheres per se, including stellar parameter determination, stellar spectroscopy and abundance analysis, asteroseismology, calibration of stellar evolution models, interferometry, and extrasolar planet search. In this introductory paper, we describe the methods we applied for the computation of the grid and discuss the general properties of the 3D models as well as of their temporal and spatial averages (here denoted ⟨3D⟩ models). Methods: All our models were generated with the Stagger-code, using realistic input physics for the equation of state (EOS) and for continuous and line opacities. Our ~ 220 grid models range in effective temperature, Teff, from 4000 to 7000 K in steps of 500 K, in surface gravity, log g, from 1.5 to 5.0 in steps of 0.5 dex, and metallicity, [Fe/H], from - 4.0 to + 0.5 in steps of 0.5 and 1.0 dex. Results: We find a tight scaling relation between the vertical velocity and the surface entropy jump, which itself correlates with the constant entropy value of the adiabatic convection zone. The range in intensity contrast is enhanced at lower metallicity. The granule size correlates closely with the pressure scale height sampled at the depth of maximum velocity. We compare the ⟨3D⟩ models with currently widely applied one-dimensional (1D) atmosphere models, as well as with theoretical 1D hydrostatic models generated with the same EOS and opacity tables as the 3D models, in order to isolate the effects of using self-consistent and hydrodynamic modeling of convection, rather than the classical mixing length theory approach. For the first time, we are able to quantify systematically over a broad

  14. 3-D Spherical modelling of the thermo-chemical evolution of Venus

    NASA Astrophysics Data System (ADS)

    Armann, M.; Tackley, P. J.

    2009-04-01

    Several first-order aspects of the dynamics of Venus' mantle remain poorly understood. These include (i) how Venus' mantle loses its radiogenic heat (presumably about the same as Earth's) despite the presence of stagnant lid convection. Hypotheses that have been advanced (summarised in [1]) are conduction through a thin lithosphere, episodic overturn of the lithosphere, magmatic heat transport, and concentration of almost all heat-producing elements into the crust, but there are problems with all of these taken individually. A thick lithosphere may not be consistent with admittance ratios, magmatic heat transport would require a too-large resurfacing rate, and a large concentration of heat-producing elements in the crust would cause weakness and possibly melting in the deep crust. (ii) The relatively long-wavelength distribution of surface features, which is surprising because numerical models and analogue laboratory experiments of stagnant-lid convection produce relatively short-wavelength convective cells. (iii) The inferred (from crater distributions [2]) relatively uniform surface age of 500-700 Ma. (iv) Whether the highlands are above mantle downwellings as on Earth or above mantle upwellings [3]. (v) How the mantle can have outgassing only 25% of 40Ar [4] but supposedly most of its water [5]. (vi) The cause of coronae and relationship to mantle processes [6]. To study some of these questions, we are performing integrated thermo-chemical convection modelling of Venus' evolution over 4.5 billion years, in 3-D spherical geometry as well as 2-D spherical annulus geometry [7]. These models include realistic ("laboratory") rheological parameters for diffusion creep and dislocation creep based on [8][9], which are also composition-dependent, and plastic yielding based on Byerlee's law, which might cause changes in tectonic regime (e.g., episodic plate tectonics). Crustal formation and the resulting differentiation of the crust and mantle are modelled using a self

  15. 3-D Spherical modelling of the thermo-chemical evolution of Venus' mantle and crust

    NASA Astrophysics Data System (ADS)

    Armann, M.; Tackley, P. J.

    2008-09-01

    Background Several first-order aspects of the dynamics of Venus' mantle remain poorly understood. These include (i) how Venus' mantle loses its radiogenic heat, which is expected to be about the same as Earth's, despite the presence of stagnant lid convection. Hypotheses that have been advanced (summarised in [1]) are conduction through a thin lithosphere, episodic overturn of the lithosphere, magmatic heat transport, and concentration of almost all heat-producing elements into the crust, but there are problems with all of these taken individually. A thick lithosphere may not be consistent with admittance ratios, magmatic heat transport would require a too-large resurfacing rate, and a large concentration of heat-producing elements in the crust would cause weakness and possibly melting in the deep crust. (ii) The relatively long-wavelength distribution of surface features, which is surprising because numerical models and analogue laboratory experiments of stagnant-lid convection produce relatively short-wavelength convective cells. (iii) The inferred (from crater distributions [2]) relatively uniform surface age of 500-700 Ma. (iv) Whether the highlands are above mantle downwellings as on Earth or above mantle upwellings [3]. (v) How the mantle can have outgassing only 25% of 40Ar [4] but supposedly most of its water [5]. (vi) The cause of coronae and relationship to mantle processes [6]. Model To study some of these questions, we take advantage of advances in computational capabilities to perform integrated thermo-chemical convection models of Venus' evolution over 4.5 billion years, in 3-D spherical geometry as well as 2-D spherical annulus geometry [7]. These models include realistic ("laboratory") rheological parameters for diffusion creep and dislocation creep based on [8][9], which are also composition-dependent, and plastic yielding based on Byerlee's law, which might cause changes in tectonic regime (e.g., episodic plate tectonics). Crustal formation and

  16. The absorption spectrum of monodeuterated methane /CH3D/ in the 6000-12000 A spectral region. [in atmospheres of outer planets

    NASA Technical Reports Server (NTRS)

    Danehy, R. G.; Lutz, B. L.; Owen, T.; Scattergood, T. W.; Goetz, W.

    1977-01-01

    Preliminary results of a laboratory study of the absorption spectrum of CH3D are presented. Three new parallel-type bands are reported at 8379 A, 9613 A, and 1.065 microns. The application of this work to the search for CH3D in the atmospheres of the outer planets is discussed.

  17. A 3D Model of Double-Helical DNA Showing Variable Chemical Details

    ERIC Educational Resources Information Center

    Cady, Susan G.

    2005-01-01

    Since the first DNA model was created approximately 50 years ago using molecular models, students and teachers have been building simplified DNA models from various practical materials. A 3D double-helical DNA model, made by placing beads on a wire and stringing beads through holes in plastic canvas, is described. Suggestions are given to enhance…

  18. Localization and visualization of excess chemical potential in statistical mechanical integral equation theory 3D-HNC-RISM.

    PubMed

    Du, Qi-Shi; Liu, Peng-Jun; Huang, Ri-Bo

    2008-02-01

    In this study the excess chemical potential of the integral equation theory, 3D-RISM-HNC [Q. Du, Q. Wei, J. Phys. Chem. B 107 (2003) 13463-13470], is visualized in three-dimensional form and localized at interaction sites of solute molecule. Taking the advantage of reference interaction site model (RISM), the calculation equations of chemical excess potential are reformulized according to the solute interaction sites s in molecular space. Consequently the solvation free energy is localized at every interaction site of solute molecule. For visualization of the 3D-RISM-HNC calculation results, the excess chemical potentials are described using radial and three-dimensional diagrams. It is found that the radial diagrams of the excess chemical potentials are more sensitive to the bridge functions than the radial diagrams of solvent site density distributions. The diagrams of average excess chemical potential provide useful information of solute-solvent electrostatic and van der Waals interactions. The local description of solvation free energy at active sites of solute in 3D-RISM-HNC may broaden the application scope of statistical mechanical integral equation theory in solution chemistry and life science.

  19. 3-D simulation of high-intensity ultra-short laser pulse propagation through atmospheric optical systems

    NASA Astrophysics Data System (ADS)

    Dodd, Evan S.; Schmitt, Mark J.

    2001-10-01

    The manipulation of ultra-short pulses (USPs) in the laboratory is affected by three main factors; (a) the layout of optical elements in the optical train, (b) the non-linear interaction of the pulse with the transmissive optical elements (including the intervening atmosphere) and (c) ionization effects near beam focal regions. These effects have been included in our simulation code in order to examine 3-D aspects of USP propagation through "real" optical systems. Our models for optical elements include the ability to examine the effects of element misalignments and asymmetric finite apertures. In the atmosphere, we have included the effect of the USP electric field intensity on the local index of refraction. A model to include the effects of ionization in the atmosphere has also been added. The collective behavior from these sources results in complex interactions within the laser pulse as it propagates. This is important since it reduces the distance the pulse may travel and the spatial and temporal energy distribution of the pulse after propagation. Simulation examples are presented.

  20. The history and principles of chemical dosimetry for 3-D radiation fields: gels, polymers and plastics.

    PubMed

    Doran, Simon J

    2009-03-01

    Over recent decades, modern protocols of external beam radiotherapy have been developed that involve very steep dose gradients and are thus extremely sensitive to errors in treatment delivery. A recent credentialling study by the Radiological Physics Center at the MD Anderson Cancer Center (Texas, USA) has noted potentially significant inaccuracies in test treatments at a variety of institutions. 3-D radiation dosimetry (often referred to as "gel dosimetry") may have an important role in commissioning new treatment protocols, to help prevent this type of error. This article discusses the various techniques of 3-D radiation dosimetry, with a focus on the types of radiosensitive samples used and on the optical computed tomography readout technique.

  1. Wet chemical method for synthesizing 3D graphene/gold nanocomposite: catalytic reduction of methylene blue

    NASA Astrophysics Data System (ADS)

    Xie, Jiliang; Yang, Xujie; Xu, Xingyou

    2017-04-01

    In this paper, a simple and environmentally-friendly approach was reported to synthesize a novel 3D composite of graphene/gold nanoparticles (3DG/Au NPs) in one step. A 3D interlaced framework of graphene, which exhibited hierarchically porous structures, generated directly through the distinct driving force during the hydrothermal growth. Meanwhile, Au NPs with high dispersity, which displayed tunable morphologies, were immobilized on the framework, where the as-prepared graphene was employed as the endogenous reducing agent. Compared with AuNPs, the obtained 3DG/Au NPs exhibited remarkably convenient recyclability and high activity for the reduction of methylene blue which is a kind of organic dye.

  2. The chemical, mechanical, and physical properties of 3D printed materials composed of TiO2-ABS nanocomposites

    PubMed Central

    Skorski, Matthew R.; Esenther, Jake M.; Ahmed, Zeeshan; Miller, Abigail E.; Hartings, Matthew R.

    2016-01-01

    Abstract To expand the chemical capabilities of 3D printed structures generated from commercial thermoplastic printers, we have produced and printed polymer filaments that contain inorganic nanoparticles. TiO2 was dispersed into acrylonitrile butadiene styrene (ABS) and extruded into filaments with 1.75 mm diameters. We produced filaments with TiO2 compositions of 1, 5, and 10% (kg/kg) and printed structures using a commercial 3D printer. Our experiments suggest that ABS undergoes minor degradation in the presence of TiO2 during the different processing steps. The measured mechanical properties (strain and Young’s modulus) for all of the composites are similar to those of structures printed from the pure polymer. TiO2 incorporation at 1% negatively affects the stress at breaking point and the flexural stress. Structures produced from the 5 and 10% nanocomposites display a higher breaking point stress than those printed from the pure polymer. TiO2 within the printed matrix was able to quench the intrinsic fluorescence of the polymer. TiO2 was also able to photocatalyze the degradation of a rhodamine 6G in solution. These experiments display chemical reactivity in nanocomposites that are printed using commercial 3D printers, and we expect that our methodology will help to inform others who seek to incorporate catalytic nanoparticles in 3D printed structures. PMID:27375367

  3. The chemical, mechanical, and physical properties of 3D printed materials composed of TiO2-ABS nanocomposites.

    PubMed

    Skorski, Matthew; Esenther, Jake; Ahmed, Zeeshan; Miller, Abigail E; Hartings, Matthew R

    To expand the chemical capabilities of 3D printed structures generated from commercial thermoplastic printers, we have produced and printed polymer filaments that contain inorganic nanoparticles. TiO2 was dispersed into acrylonitrile butadiene styrene (ABS) and extruded into filaments with 1.75 mm diameters. We produced filaments with TiO2 compositions of 1%, 5%, and 10% (kg/kg) and printed structures using a commercial 3D printer. Our experiments suggest that ABS undergoes minor degradation in the presence of TiO2 during the different processing steps. The measured mechanical properties (strain and Young's modulus) for all of the composites are similar to those of structures printed from the pure polymer. TiO2 incorporation at 1% negatively affects the stress at breaking point and the flexural stress. Structures produced from the 5 and 10% nanocomposites display a higher breaking point stress than those printed from the pure polymer. TiO2 within the printed matrix was able to quench the intrinsic fluorescence of the polymer. TiO2 was also able to photocatalyze the degradation of a rhodamine 6G in solution. These experiments display chemical reactivity in nanocomposites that are printed using commercial 3D printers, and we expect that our methodology will help to inform others who seek to incorporate catalytic nanoparticles in 3D printed structures.

  4. Modeling ionospheric disturbance features in quasi-vertically incident ionograms using 3-D magnetoionic ray tracing and atmospheric gravity waves

    NASA Astrophysics Data System (ADS)

    Cervera, M. A.; Harris, T. J.

    2014-01-01

    The Defence Science and Technology Organisation (DSTO) has initiated an experimental program, Spatial Ionospheric Correlation Experiment, utilizing state-of-the-art DSTO-designed high frequency digital receivers. This program seeks to understand ionospheric disturbances at scales < 150 km and temporal resolutions under 1 min through the simultaneous observation and recording of multiple quasi-vertical ionograms (QVI) with closely spaced ionospheric control points. A detailed description of and results from the first campaign conducted in February 2008 were presented by Harris et al. (2012). In this paper we employ a 3-D magnetoionic Hamiltonian ray tracing engine, developed by DSTO, to (1) model the various disturbance features observed on both the O and X polarization modes in our QVI data and (2) understand how they are produced. The ionospheric disturbances which produce the observed features were modeled by perturbing the ionosphere with atmospheric gravity waves.

  5. Exoplanet Atmospheres in High Definition: 3D Eclipse Mapping of HD 209458b and HD 189733b

    NASA Astrophysics Data System (ADS)

    Lewis, Nikole; Cowan, Nicolas; Knutson, Heather; de Wit, Julien; Seager, Sara; Demory, Brice-Olivier; Fortney, Jonathan; Showman, Adam

    2013-10-01

    Eclipse mapping is a newly developed technique in the arsenal of observational methods aimed at the characterization of exoplanet atmospheres. This technique was first applied to HD189733b using multiple 8 micron secondary eclipse observations to create a high-resolution snapshot of the dayside of the planet. The eclipse map of HD189733b at 8 microns was able to resolve the dayside brightness distribution of the planet both in latitude and longitude giving key insights into the atmospheric circulation of HD189733b. Here we propose to use this eclipse mapping technique to produce dayside brightness maps of the benchmark exoplanets HD189733b and HD209458b at both 3.6 and 4.5 microns. By combining brightness maps at multiple wavelengths, we will create the first three-dimensional maps of an exoplanet atmosphere (latitude, longitude, and pressure). HD209458 and HD189733 are among the brightest (Ks~6) planet harboring system and represent our best opportunity to achieve a high signal-to-noise eclipse maps. Comparisons between the brightness maps of these two planets will highlight key differences in the atmospheric circulation patterns of planets with (HD209458b) and without (HD189733b) thermal inversions in their dayside atmospheres. The atmospheres of HD189733b and HD209458b have been previously probed at wavelengths from the infrared to the ultraviolet through transit, eclipse, and phase-curve observations. With the addition of the three-dimensional eclipse maps proposed here, we will answer many of the outstanding questions about the basic radiative, chemical, and advective processes at work in these key planetary atmospheres. The observations proposed here will allow us to make the first direct comparisons of the observed thermal structure of an exoplanet with the plethora of three-dimensional atmospheric circulation models developed specifically for HD189733b and HD209458b, thus both informing the models and gaining new insights into the complex circulation

  6. Vertical Scan (V-SCAN) for 3-D Grid Adaptive Mesh Refinement for an atmospheric Model Dynamical Core

    NASA Astrophysics Data System (ADS)

    Andronova, N. G.; Vandenberg, D.; Oehmke, R.; Stout, Q. F.; Penner, J. E.

    2009-12-01

    One of the major building blocks of a rigorous representation of cloud evolution in global atmospheric models is a parallel adaptive grid MPI-based communication library (an Adaptive Blocks for Locally Cartesian Topologies library -- ABLCarT), which manages the block-structured data layout, handles ghost cell updates among neighboring blocks and splits a block as refinements occur. The library has several modules that provide a layer of abstraction for adaptive refinement: blocks, which contain individual cells of user data; shells - the global geometry for the problem, including a sphere, reduced sphere, and now a 3D sphere; a load balancer for placement of blocks onto processors; and a communication support layer which encapsulates all data movement. A major performance concern with adaptive mesh refinement is how to represent calculations that have need to be sequenced in a particular order in a direction, such as calculating integrals along a specific path (e.g. atmospheric pressure or geopotential in the vertical dimension). This concern is compounded if the blocks have varying levels of refinement, or are scattered across different processors, as can be the case in parallel computing. In this paper we describe an implementation in ABLCarT of a vertical scan operation, which allows computing along vertical paths in the correct order across blocks transparent to their resolution and processor location. We test this functionality on a 2D and a 3D advection problem, which tests the performance of the model’s dynamics (transport) and physics (sources and sinks) for different model resolutions needed for inclusion of cloud formation.

  7. The Stagger-grid: A grid of 3D stellar atmosphere models. III. The relation to mixing length convection theory

    NASA Astrophysics Data System (ADS)

    Magic, Z.; Weiss, A.; Asplund, M.

    2015-01-01

    Aims: We investigate the relation between 1D atmosphere models that rely on the mixing length theory and models based on full 3D radiative hydrodynamic (RHD) calculations to describe convection in the envelopes of late-type stars. Methods: The adiabatic entropy value of the deep convection zone, sbot, and the entropy jump, Δs, determined from the 3D RHD models, were matched with the mixing length parameter, αMLT, from 1D hydrostatic atmosphere models with identical microphysics (opacities and equation-of-state). We also derived the mass mixing length parameter, αm, and the vertical correlation length of the vertical velocity, C[vz,vz], directly from the 3D hydrodynamical simulations of stellar subsurface convection. Results: The calibrated mixing length parameter for the Sun is α๏MLT (Sbot) = 1.98. . For different stellar parameters, αMLT varies systematically in the range of 1.7 - 2.4. In particular, αMLT decreases towards higher effective temperature, lower surface gravity and higher metallicity. We find equivalent results for α๏MLT (ΔS). In addition, we find a tight correlation between the mixing length parameter and the inverse entropy jump. We derive an analytical expression from the hydrodynamic mean-field equations that motivates the relation to the mass mixing length parameter, αm, and find that it qualitatively shows a similar variation with stellar parameter (between 1.6 and 2.4) with the solar value of α๏m = 1.83.. The vertical correlation length scaled with the pressure scale height yields 1.71 for the Sun, but only displays a small systematic variation with stellar parameters, the correlation length slightly increases with Teff. Conclusions: We derive mixing length parameters for various stellar parameters that can be used to replace a constant value. Within any convective envelope, αm and related quantities vary strongly. Our results will help to replace a constant αMLT. Appendices are available in electronic form at http

  8. Parametric 3D Atmospheric Reconstruction in Highly Variable Terrain with Recycled Monte Carlo Paths and an Adapted Bayesian Inference Engine

    NASA Technical Reports Server (NTRS)

    Langmore, Ian; Davis, Anthony B.; Bal, Guillaume; Marzouk, Youssef M.

    2012-01-01

    We describe a method for accelerating a 3D Monte Carlo forward radiative transfer model to the point where it can be used in a new kind of Bayesian retrieval framework. The remote sensing challenge is to detect and quantify a chemical effluent of a known absorbing gas produced by an industrial facility in a deep valley. The available data is a single low resolution noisy image of the scene in the near IR at an absorbing wavelength for the gas of interest. The detected sunlight has been multiply reflected by the variable terrain and/or scattered by an aerosol that is assumed partially known and partially unknown. We thus introduce a new class of remote sensing algorithms best described as "multi-pixel" techniques that call necessarily for a 3D radaitive transfer model (but demonstrated here in 2D); they can be added to conventional ones that exploit typically multi- or hyper-spectral data, sometimes with multi-angle capability, with or without information about polarization. The novel Bayesian inference methodology uses adaptively, with efficiency in mind, the fact that a Monte Carlo forward model has a known and controllable uncertainty depending on the number of sun-to-detector paths used.

  9. The influence of plasma technology coupled to chemical grafting on the cell growth compliance of 3D hydroxyapatite scaffolds.

    PubMed

    Russo, Laura; Zanini, Stefano; Giannoni, Paolo; Landi, Elena; Villa, Anna; Sandri, Monica; Riccardi, Claudia; Quarto, Rodolfo; Doglia, Silvia M; Nicotra, Francesco; Cipolla, Laura

    2012-11-01

    The development of advanced materials with biomimetic features in order to elicit desired biological responses and to guarantee tissue biocompatibility is recently gaining attention for tissue engineering applications. Bioceramics, such as hydroxyapatite-based biomaterials are now used in a number of different applications throughout the body, covering all areas of the skeleton, due to their biological and chemical similarity to the inorganic phases of bones. When bioactive sintered hydroxyapatite (HA) is desired, biomolecular modification of these materials is needed. In the present work, we investigated the influence of plasma surface modification coupled to chemical grafting on the cell growth compliance of HA 3D scaffolds.

  10. White dwarf stars with chemically stratified atmospheres

    NASA Technical Reports Server (NTRS)

    Muchmore, D.

    1982-01-01

    Recent observations and theory suggest that some white dwarfs may have chemically stratified atmospheres - thin layers of hydrogen lying above helium-rich envelopes. Models of such atmospheres show that a discontinuous temperature inversion can occur at the boundary between the layers. Model spectra for layered atmospheres at 30,000 K and 50,000 K tend to have smaller decrements at 912 A, 504 A, and 228 A than uniform atmospheres would have. On the basis of their continuous extreme ultraviolet spectra, it is possible to distinguish observationally between uniform and layered atmospheres for hot white dwarfs.

  11. Chemical kinetics and modeling of planetary atmospheres

    NASA Technical Reports Server (NTRS)

    Yung, Yuk L.

    1990-01-01

    A unified overview is presented for chemical kinetics and chemical modeling in planetary atmospheres. The recent major advances in the understanding of the chemistry of the terrestrial atmosphere make the study of planets more interesting and relevant. A deeper understanding suggests that the important chemical cycles have a universal character that connects the different planets and ultimately link together the origin and evolution of the solar system. The completeness (or incompleteness) of the data base for chemical kinetics in planetary atmospheres will always be judged by comparison with that for the terrestrial atmosphere. In the latter case, the chemistry of H, O, N, and Cl species is well understood. S chemistry is poorly understood. In the atmospheres of Jovian planets and Titan, the C-H chemistry of simple species (containing 2 or less C atoms) is fairly well understood. The chemistry of higher hydrocarbons and the C-N, P-N chemistry is much less understood. In the atmosphere of Venus, the dominant chemistry is that of chlorine and sulfur, and very little is known about C1-S coupled chemistry. A new frontier for chemical kinetics both in the Earth and planetary atmospheres is the study of heterogeneous reactions. The formation of the ozone hole on Earth, the ubiquitous photochemical haze on Venus and in the Jovian planets and Titan all testify to the importance of heterogeneous reactions. It remains a challenge to connect the gas phase chemistry to the production of aerosols.

  12. Direct fabrication of 3D graphene on nanoporous anodic alumina by plasma-enhanced chemical vapor deposition

    NASA Astrophysics Data System (ADS)

    Zhan, Hualin; Garrett, David J.; Apollo, Nicholas V.; Ganesan, Kumaravelu; Lau, Desmond; Prawer, Steven; Cervenka, Jiri

    2016-01-01

    High surface area electrode materials are of interest for a wide range of potential applications such as super-capacitors and electrochemical cells. This paper describes a fabrication method of three-dimensional (3D) graphene conformally coated on nanoporous insulating substrate with uniform nanopore size. 3D graphene films were formed by controlled graphitization of diamond-like amorphous carbon precursor films, deposited by plasma-enhanced chemical vapour deposition (PECVD). Plasma-assisted graphitization was found to produce better quality graphene than a simple thermal graphitization process. The resulting 3D graphene/amorphous carbon/alumina structure has a very high surface area, good electrical conductivity and exhibits excellent chemically stability, providing a good material platform for electrochemical applications. Consequently very large electrochemical capacitance values, as high as 2.1 mF for a sample of 10 mm3, were achieved. The electrochemical capacitance of the material exhibits a dependence on bias voltage, a phenomenon observed by other groups when studying graphene quantum capacitance. The plasma-assisted graphitization, which dominates the graphitization process, is analyzed and discussed in detail.

  13. Direct fabrication of 3D graphene on nanoporous anodic alumina by plasma-enhanced chemical vapor deposition

    PubMed Central

    Zhan, Hualin; Garrett, David J.; Apollo, Nicholas V.; Ganesan, Kumaravelu; Lau, Desmond; Prawer, Steven; Cervenka, Jiri

    2016-01-01

    High surface area electrode materials are of interest for a wide range of potential applications such as super-capacitors and electrochemical cells. This paper describes a fabrication method of three-dimensional (3D) graphene conformally coated on nanoporous insulating substrate with uniform nanopore size. 3D graphene films were formed by controlled graphitization of diamond-like amorphous carbon precursor films, deposited by plasma-enhanced chemical vapour deposition (PECVD). Plasma-assisted graphitization was found to produce better quality graphene than a simple thermal graphitization process. The resulting 3D graphene/amorphous carbon/alumina structure has a very high surface area, good electrical conductivity and exhibits excellent chemically stability, providing a good material platform for electrochemical applications. Consequently very large electrochemical capacitance values, as high as 2.1 mF for a sample of 10 mm3, were achieved. The electrochemical capacitance of the material exhibits a dependence on bias voltage, a phenomenon observed by other groups when studying graphene quantum capacitance. The plasma-assisted graphitization, which dominates the graphitization process, is analyzed and discussed in detail. PMID:26805546

  14. An in-depth spectroscopic examination of molecular bands from 3D hydrodynamical model atmospheres. I. Formation of the G-band in metal-poor dwarf stars

    NASA Astrophysics Data System (ADS)

    Gallagher, A. J.; Caffau, E.; Bonifacio, P.; Ludwig, H.-G.; Steffen, M.; Spite, M.

    2016-09-01

    Context. Recent developments in the three-dimensional (3D) spectral synthesis code Linfor3D have meant that for the first time, large spectral wavelength regions, such as molecular bands, can be synthesised with it in a short amount of time. Aims: A detailed spectral analysis of the synthetic G-band for several dwarf turn-off-type 3D atmospheres (5850 ≲ Teff [ K ] ≲ 6550, 4.0 ≤ log g ≤ 4.5, - 3.0 ≤ [Fe/H] ≤-1.0) was conducted, under the assumption of local thermodynamic equilibrium. We also examine carbon and oxygen molecule formation at various metallicity regimes and discuss the impact it has on the G-band. Methods: Using a qualitative approach, we describe the different behaviours between the 3D atmospheres and the traditional one-dimensional (1D) atmospheres and how the different physics involved inevitably leads to abundance corrections, which differ over varying metallicities. Spectra computed in 1D were fit to every 3D spectrum to determine the 3D abundance correction. Results: Early analysis revealed that the CH molecules that make up the G-band exhibited an oxygen abundance dependency; a higher oxygen abundance leads to weaker CH features. Nitrogen abundances showed zero impact to CH formation. The 3D corrections are also stronger at lower metallicity. Analysis of the 3D corrections to the G-band allows us to assign estimations of the 3D abundance correction to most dwarf stars presented in the literature. Conclusions: The 3D corrections suggest that A(C) in carbon-enhanced metal-poor (CEMP) stars with high A(C) would remain unchanged, but would decrease in CEMP stars with lower A(C). It was found that the C/O ratio is an important parameter to the G-band in 3D. Additional testing confirmed that the C/O ratio is an equally important parameter for OH transitions under 3D. This presents a clear interrelation between the carbon and oxygen abundances in 3D atmospheres through their molecular species, which is not seen in 1D.

  15. Materials ``alchemy'': Shape-preserving chemical transformation of micro-to-macroscopic 3-D structures

    NASA Astrophysics Data System (ADS)

    Sandhage, Kenneth H.

    2010-06-01

    The scalable fabrication of nano-structured materials with complex morphologies and tailorable chemistries remains a significant challenge. One strategy for such synthesis consists of the generation of a solid structure with a desired morphology (a “preform”), followed by reactive conversion of the preform into a new chemistry. Several gas/solid and liquid/solid reaction processes that are capable of such chemical conversion into new micro-to-nano-structured materials, while preserving the macroscopic-to-microscopic preform morphologies, are described in this overview. Such shape-preserving chemical transformation of one material into another could be considered a modern type of materials “alchemy.”

  16. 3-D laser confocal microscopy study of the oxidation of NdFeB magnets in atmospheric conditions

    NASA Astrophysics Data System (ADS)

    Meakin, J. P.; Speight, J. D.; Sheridan, R. S.; Bradshaw, A.; Harris, I. R.; Williams, A. J.; Walton, A.

    2016-08-01

    Neodymium iron boron (NdFeB) magnets are used in a number of important applications, such as generators in gearless wind turbines, motors in electric vehicles and electronic goods (e.g.- computer hard disk drives, HDD). Hydrogen can be used as a processing gas to separate and recycle scrap sintered Nd-Fe-B magnets from end-of-life products to form a powder suitable for recycling. However, the magnets are likely to have been exposed to atmospheric conditions prior to processing, and any oxidation could lead to activation problems for the hydrogen decrepitation reaction. Many previous studies on the oxidation of NdFeB magnets have been performed at elevated temperatures; however, few studies have been formed under atmospheric conditions. In this paper a combination of 3-D laser confocal microscopy and Raman spectroscopy have been used to assess the composition, morphology and rate of oxidation/corrosion on scrap sintered NdFeB magnets. Confocal microscopy has been employed to measure the growth of surface reaction products at room temperature, immediately after exposure to air. The results showed that there was a significant height increase at the triple junctions of the Nd-rich grain boundaries. Using Raman spectroscopy, the product was shown to consist of Nd2O3 and formed only on the Nd-rich triple junctions. The diffusion coefficient of the triple junction reaction product growth at 20 °C was determined to be approximately 4 × 10-13 cm2/sec. This value is several orders of magnitude larger than values derived from the diffusion controlled oxide growth observations at elevated temperatures in the literature. This indicates that the growth of the room temperature oxidation products are likely defect enhanced processes at the NdFeB triple junctions.

  17. Development of a 3D Soil-Plant-Atmosphere Continuum (SPAC) coupled to a Land Surface Model

    NASA Astrophysics Data System (ADS)

    Bisht, G.; Riley, W. J.; Lorenzetti, D.; Tang, J.

    2015-12-01

    Exchange of water between the atmosphere and biosphere via evapotranspiration (ET) influences global hydrological, energy, and biogeochemical cycles. Isotopic analysis has shown that evapotranspiration over the continents is largely dominated by transpiration. Water is taken up from soil by plant roots, transported through the plant's vascular system, and evaporated from the leaves. Yet current Land Surface Models (LSMs) integrated into Earth System Models (ESMs) treat plant roots as passive components. These models distribute the ET sink vertically over the soil column, neglect the vertical pressure distribution along the plant vascular system, and assume that leaves can directly access water from any soil layer within the root zone. Numerous studies have suggested that increased warming due to climate change will lead drought and heat-induced tree mortality. A more mechanistic treatment of water dynamics in the soil-plant-atmosphere continuum (SPAC) is essential for investigating the fate of ecosystems under a warmer climate. In this work, we describe a 3D SPAC model that can be coupled to a LSM. The SPAC model uses the variably saturated Richards equations to simulate water transport. The model uses individual governing equations and constitutive relationships for the various SPAC components (i.e., soil, root, and xylem). Finite volume spatial discretization and backward Euler temporal discretization is used to solve the SPAC model. The Portable, Extensible Toolkit for Scientific Computation (PETSc) is used to numerically integrate the discretized system of equations. Furthermore, PETSc's multi-physics coupling capability (DMComposite) is used to solve the tightly coupled system of equations of the SPAC model. Numerical results are presented for multiple test problems.

  18. New weather depiction technology for night vision goggle (NVG) training: 3D virtual/augmented reality scene-weather-atmosphere-target simulation

    NASA Astrophysics Data System (ADS)

    Folaron, Michelle; Deacutis, Martin; Hegarty, Jennifer; Vollmerhausen, Richard; Schroeder, John; Colby, Frank P.

    2007-04-01

    US Navy and Marine Corps pilots receive Night Vision Goggle (NVG) training as part of their overall training to maintain the superiority of our forces. This training must incorporate realistic targets; backgrounds; and representative atmospheric and weather effects they may encounter under operational conditions. An approach for pilot NVG training is to use the Night Imaging and Threat Evaluation Laboratory (NITE Lab) concept. The NITE Labs utilize a 10' by 10' static terrain model equipped with both natural and cultural lighting that are used to demonstrate various illumination conditions, and visual phenomena which might be experienced when utilizing night vision goggles. With this technology, the military can safely, systematically, and reliably expose pilots to the large number of potentially dangerous environmental conditions that will be experienced in their NVG training flights. A previous SPIE presentation described our work for NAVAIR to add realistic atmospheric and weather effects to the NVG NITE Lab training facility using the NVG - WDT(Weather Depiction Technology) system (Colby, et al.). NVG -WDT consist of a high end multiprocessor server with weather simulation software, and several fixed and goggle mounted Heads Up Displays (HUDs). Atmospheric and weather effects are simulated using state-of-the-art computer codes such as the WRF (Weather Research μ Forecasting) model; and the US Air Force Research Laboratory MODTRAN radiative transport model. Imagery for a variety of natural and man-made obscurations (e.g. rain, clouds, snow, dust, smoke, chemical releases) are being calculated and injected into the scene observed through the NVG via the fixed and goggle mounted HUDs. This paper expands on the work described in the previous presentation and will describe the 3D Virtual/Augmented Reality Scene - Weather - Atmosphere - Target Simulation part of the NVG - WDT. The 3D virtual reality software is a complete simulation system to generate realistic

  19. Computation of Solar Radiative Fluxes by 1D and 3D Methods Using Cloudy Atmospheres Inferred from A-train Satellite Data

    NASA Technical Reports Server (NTRS)

    Barker, Howard W.; Kato, Serji; Wehr, T.

    2012-01-01

    The main point of this study was to use realistic representations of cloudy atmospheres to assess errors in solar flux estimates associated with 1D radiative transfer models. A scene construction algorithm, developed for the EarthCARE satellite mission, was applied to CloudSat, CALIPSO, and MODIS satellite data thus producing 3D cloudy atmospheres measuring 60 km wide by 13,000 km long at 1 km grid-spacing. Broadband solar fluxes and radiances for each (1 km)2 column where then produced by a Monte Carlo photon transfer model run in both full 3D and independent column approximation mode (i.e., a 1D model).

  20. Massively parallel computation of 3D flow and reactions in chemical vapor deposition reactors

    SciTech Connect

    Salinger, A.G.; Shadid, J.N.; Hutchinson, S.A.; Hennigan, G.L.; Devine, K.D.; Moffat, H.K.

    1997-12-01

    Computer modeling of Chemical Vapor Deposition (CVD) reactors can greatly aid in the understanding, design, and optimization of these complex systems. Modeling is particularly attractive in these systems since the costs of experimentally evaluating many design alternatives can be prohibitively expensive, time consuming, and even dangerous, when working with toxic chemicals like Arsine (AsH{sub 3}): until now, predictive modeling has not been possible for most systems since the behavior is three-dimensional and governed by complex reaction mechanisms. In addition, CVD reactors often exhibit large thermal gradients, large changes in physical properties over regions of the domain, and significant thermal diffusion for gas mixtures with widely varying molecular weights. As a result, significant simplifications in the models have been made which erode the accuracy of the models` predictions. In this paper, the authors will demonstrate how the vast computational resources of massively parallel computers can be exploited to make possible the analysis of models that include coupled fluid flow and detailed chemistry in three-dimensional domains. For the most part, models have either simplified the reaction mechanisms and concentrated on the fluid flow, or have simplified the fluid flow and concentrated on rigorous reactions. An important CVD research thrust has been in detailed modeling of fluid flow and heat transfer in the reactor vessel, treating transport and reaction of chemical species either very simply or as a totally decoupled problem. Using the analogy between heat transfer and mass transfer, and the fact that deposition is often diffusion limited, much can be learned from these calculations; however, the effects of thermal diffusion, the change in physical properties with composition, and the incorporation of surface reaction mechanisms are not included in this model, nor can transitions to three-dimensional flows be detected.

  1. Development of a 3-D upwind PNS code for chemically reacting hypersonic flowfields

    NASA Technical Reports Server (NTRS)

    Tannehill, J. C.; Wadawadigi, G.

    1992-01-01

    Two new parabolized Navier-Stokes (PNS) codes were developed to compute the three-dimensional, viscous, chemically reacting flow of air around hypersonic vehicles such as the National Aero-Space Plane (NASP). The first code (TONIC) solves the gas dynamic and species conservation equations in a fully coupled manner using an implicit, approximately-factored, central-difference algorithm. This code was upgraded to include shock fitting and the capability of computing the flow around complex body shapes. The revised TONIC code was validated by computing the chemically-reacting (M(sub infinity) = 25.3) flow around a 10 deg half-angle cone at various angles of attack and the Ames All-Body model at 0 deg angle of attack. The results of these calculations were in good agreement with the results from the UPS code. One of the major drawbacks of the TONIC code is that the central-differencing of fluxes across interior flowfield discontinuities tends to introduce errors into the solution in the form of local flow property oscillations. The second code (UPS), originally developed for a perfect gas, has been extended to permit either perfect gas, equilibrium air, or nonequilibrium air computations. The code solves the PNS equations using a finite-volume, upwind TVD method based on Roe's approximate Riemann solver that was modified to account for real gas effects. The dissipation term associated with this algorithm is sufficiently adaptive to flow conditions that, even when attempting to capture very strong shock waves, no additional smoothing is required. For nonequilibrium calculations, the code solves the fluid dynamic and species continuity equations in a loosely-coupled manner. This code was used to calculate the hypersonic, laminar flow of chemically reacting air over cones at various angles of attack. In addition, the flow around the McDonnel Douglas generic option blended-wing-body was computed and comparisons were made between the perfect gas, equilibrium air, and the

  2. 3D chemical imaging in the laboratory by hyperspectral X-ray computed tomography

    PubMed Central

    Egan, C. K.; Jacques, S. D. M.; Wilson, M. D.; Veale, M. C.; Seller, P.; Beale, A. M.; Pattrick, R. A. D.; Withers, P. J.; Cernik, R. J.

    2015-01-01

    We report the development of laboratory based hyperspectral X-ray computed tomography which allows the internal elemental chemistry of an object to be reconstructed and visualised in three dimensions. The method employs a spectroscopic X-ray imaging detector with sufficient energy resolution to distinguish individual elemental absorption edges. Elemental distributions can then be made by K-edge subtraction, or alternatively by voxel-wise spectral fitting to give relative atomic concentrations. We demonstrate its application to two material systems: studying the distribution of catalyst material on porous substrates for industrial scale chemical processing; and mapping of minerals and inclusion phases inside a mineralised ore sample. The method makes use of a standard laboratory X-ray source with measurement times similar to that required for conventional computed tomography. PMID:26514938

  3. 3D chemical imaging in the laboratory by hyperspectral X-ray computed tomography

    NASA Astrophysics Data System (ADS)

    Egan, C. K.; Jacques, S. D. M.; Wilson, M. D.; Veale, M. C.; Seller, P.; Beale, A. M.; Pattrick, R. A. D.; Withers, P. J.; Cernik, R. J.

    2015-10-01

    We report the development of laboratory based hyperspectral X-ray computed tomography which allows the internal elemental chemistry of an object to be reconstructed and visualised in three dimensions. The method employs a spectroscopic X-ray imaging detector with sufficient energy resolution to distinguish individual elemental absorption edges. Elemental distributions can then be made by K-edge subtraction, or alternatively by voxel-wise spectral fitting to give relative atomic concentrations. We demonstrate its application to two material systems: studying the distribution of catalyst material on porous substrates for industrial scale chemical processing; and mapping of minerals and inclusion phases inside a mineralised ore sample. The method makes use of a standard laboratory X-ray source with measurement times similar to that required for conventional computed tomography.

  4. C2SM: a mobile system for detecting and 3D mapping of chemical, radiological, and nuclear contamination

    NASA Astrophysics Data System (ADS)

    Jasiobedzki, Piotr; Ng, Ho-Kong; Bondy, Michel; McDiarmid, C. H.

    2009-05-01

    CBRN Crime Scene Modeler (C2SM) is a prototype mobile CBRN mapping system for First Responders in events where Chemical, Biological, Radiological and Nuclear agents where used. The prototype operates on board a small robotic platform, increases situational awareness of the robot operator by providing geo-located images and data, and current robot location. The sensor suite includes stereo and high resolution cameras, a long wave infra red (thermal) camera and gamma and chemical detectors. The system collects and sends geo-located data to a remote command post in near real-time and automatically creates 3D photorealistic model augmented with CBRN measurements. Two prototypes have been successfully tested in field trials and a fully ruggedised commercial version is expected in 2010.

  5. Versatile Method for Producing 2D and 3D Conductive Biomaterial Composites Using Sequential Chemical and Electrochemical Polymerization.

    PubMed

    Severt, Sean Y; Ostrovsky-Snider, Nicholas A; Leger, Janelle M; Murphy, Amanda R

    2015-11-18

    Flexible and conductive biocompatible materials are attractive candidates for a wide range of biomedical applications including implantable electrodes, tissue engineering, and controlled drug delivery. Here, we demonstrate that chemical and electrochemical polymerization techniques can be combined to create highly versatile silk-conducting polymer (silk-CP) composites with enhanced conductivity and electrochemical stability. Interpenetrating silk-CP composites were first generated via in situ deposition of polypyrrole during chemical polymerization of pyrrole. These composites were sufficiently conductive to serve as working electrodes for electropolymerization, which allowed an additional layer of CP to be deposited on the surface. This sequential method was applied to both 2D films and 3D sponge-like silk scaffolds, producing conductive materials with biomimetic architectures. Overall, this two-step technique expanded the range of available polymers and dopants suitable for the synthesis of mechanically robust, biocompatible, and highly conductive silk-based materials.

  6. Development of Bottom-Up Chemical Approaches to 3-D Negative Index Meta-Materials: Two Photon Lithographic Approach-Chiral Chemical Synthesis Approach

    DTIC Science & Technology

    2014-06-30

    Approaches to 3-D Negative Index Meta-Materials Two Photon Lithographic Approach- Chiral Chemical Synthesis Approach 5a. CONTRACT NUMBER FA9550-09-1...materials with large optical activity. A series of chiral polymers, based on thiophene, fluorene, and fluorene-quinoxaline motif with chiral side...chains were synthesized, post-processed and characterized in both solution and film phases. A new concept of chirality enhancement via coupling with

  7. Limb darkening laws for two exoplanet host stars derived from 3D stellar model atmospheres. Comparison with 1D models and HST light curve observations

    NASA Astrophysics Data System (ADS)

    Hayek, W.; Sing, D.; Pont, F.; Asplund, M.

    2012-03-01

    We compare limb darkening laws derived from 3D hydrodynamical model atmospheres and 1D hydrostatic MARCS models for the host stars of two well-studied transiting exoplanet systems, the late-type dwarfs HD 209458 and HD 189733. The surface brightness distribution of the stellar disks is calculated for a wide spectral range using 3D LTE spectrum formation and opacity sampling⋆. We test our theoretical predictions using least-squares fits of model light curves to wavelength-integrated primary eclipses that were observed with the Hubble Space Telescope (HST). The limb darkening law derived from the 3D model of HD 209458 in the spectral region between 2900 Å and 5700 Å produces significantly better fits to the HST data, removing systematic residuals that were previously observed for model light curves based on 1D limb darkening predictions. This difference arises mainly from the shallower mean temperature structure of the 3D model, which is a consequence of the explicit simulation of stellar surface granulation where 1D models need to rely on simplified recipes. In the case of HD 189733, the model atmospheres produce practically equivalent limb darkening curves between 2900 Å and 5700 Å, partly due to obstruction by spectral lines, and the data are not sufficient to distinguish between the light curves. We also analyze HST observations between 5350 Å and 10 500 Å for this star; the 3D model leads to a better fit compared to 1D limb darkening predictions. The significant improvement of fit quality for the HD 209458 system demonstrates the higher degree of realism of 3D hydrodynamical models and the importance of surface granulation for the formation of the atmospheric radiation field of late-type stars. This result agrees well with recent investigations of limb darkening in the solar continuum and other observational tests of the 3D models. The case of HD 189733 is no contradiction as the model light curves are less sensitive to the temperature stratification of

  8. Computation of Solar Radiative Fluxes by 1D and 3D Methods Using Cloudy Atmospheres Inferred from A-train Satellite Data.

    PubMed

    Barker, H W; Kato, S; Wehr, T

    This study used realistic representations of cloudy atmospheres to assess errors in solar flux estimates associated with 1D radiative transfer models. A scene construction algorithm, developed for the EarthCARE mission, was applied to CloudSat, CALIPSO and MODIS satellite data thus producing 3D cloudy atmospheres measuring 61 km wide by 14,000 km long at 1 km grid-spacing. Broadband solar fluxes and radiances were then computed by a Monte Carlo photon transfer model run in both full 3D and 1D independent column approximation modes. Results were averaged into 1,303 (50 km)(2) domains. For domains with total cloud fractions Ac  < 0.7 top-of-atmosphere (TOA) albedos tend to be largest for 3D transfer with differences increasing with solar zenith angle. Differences are largest for Ac  > 0.7 and characterized by small bias yet large random errors. Regardless of Ac , differences between 3D and 1D transfer rarely exceed ±30 W m(-2) for net TOA and surface fluxes and ±10 W m(-2) for atmospheric absorption. Horizontal fluxes through domain sides depend on Ac with ∼20% of cases exceeding ±30 W m(-2); the largest values occur for Ac  > 0.7. Conversely, heating rate differences rarely exceed ±20%. As a cursory test of TOA radiative closure, fluxes produced by the 3D model were averaged up to (20 km)(2) and compared to values measured by CERES. While relatively little attention was paid to optical properties of ice crystals and surfaces, and aerosols were neglected entirely, ∼30% of the differences between 3D model estimates and measurements fall within ±10 W m(-2); this is the target agreement set for EarthCARE. This, coupled with the aforementioned comparison between 3D and 1D transfer, leads to the recommendation that EarthCARE employ a 3D transport model when attempting TOA radiative closure.

  9. Atmospheric aerosols as prebiotic chemical reactors

    PubMed Central

    Dobson, Christopher M.; Ellison, G. Barney; Tuck, Adrian F.; Vaida, Veronica

    2000-01-01

    Aerosol particles in the atmosphere have recently been found to contain a large number of chemical elements and a high content of organic material. The latter property is explicable by an inverted micelle model. The aerosol sizes with significant atmospheric lifetimes are the same as those of single-celled organisms, and they are predicted by the interplay of aerodynamic drag, surface tension, and gravity. We propose that large populations of such aerosols could have afforded an environment, by means of their ability to concentrate molecules in a wide variety of physical conditions, for key chemical transformations in the prebiotic world. We also suggest that aerosols could have been precursors to life, since it is generally agreed that the common ancestor of terrestrial life was a single-celled organism. The early steps in some of these initial transformations should be accessible to experimental investigation. PMID:11035775

  10. The Effect of Scattering on the Temperature Stratification of 3D Model Atmospheres of Metal-Poor Red Giants

    NASA Astrophysics Data System (ADS)

    Collet, Remo; Hayek, Wolfgang; Asplund, Martin

    2011-08-01

    We study the effects of different approximations of scattering in 3D radiation-hydrodynamics simulations on the photospheric temperature stratification of metal-poor red giant stars. We find that assuming a Planckian source function and neglecting the contribution of scattering to extinction in optically thin layers provides a good approximation of the effects of coherent scattering on the photospheric temperature balance.

  11. The asteroseismic surface effect from a grid of 3D convection simulations - I. Frequency shifts from convective expansion of stellar atmospheres

    NASA Astrophysics Data System (ADS)

    Trampedach, Regner; Aarslev, Magnus J.; Houdek, Günter; Collet, Remo; Christensen-Dalsgaard, Jørgen; Stein, Robert F.; Asplund, Martin

    2017-03-01

    We analyse the effect on adiabatic stellar oscillation frequencies of replacing the near-surface layers in 1D stellar structure models with averaged 3D stellar surface convection simulations. The main difference is an expansion of the atmosphere by 3D convection, expected to explain a major part of the asteroseismic surface effect, a systematic overestimation of p-mode frequencies due to inadequate surface physics. We employ pairs of 1D stellar envelope models and 3D simulations from a previous calibration of the mixing-length parameter, α. That calibration constitutes the hitherto most consistent matching of 1D models to 3D simulations, ensuring that their differences are not spurious, but entirely due to the 3D nature of convection. The resulting frequency shift is identified as the structural part of the surface effect. The important, typically non-adiabatic, modal components of the surface effect are not included in this analysis, but relegated to future papers. Evaluating the structural surface effect at the frequency of maximum mode amplitude, νmax , we find shifts from δν = -0.8 μHz for giants at log g = 2.2 to - 35 μHz for a (Teff = 6901 K, log g = 4.29) dwarf. The fractional effect δν(νmax )/νmax , ranges from -0.1 per cent for a cool dwarf (4185 K, 4.74) to -6 per cent for a warm giant (4962 K, 2.20).

  12. User’s guide and reference to Ash3d: a three-dimensional model for Eulerian atmospheric tephra transport and deposition

    USGS Publications Warehouse

    Mastin, Larry G.; Randall, Michael J.; Schwaiger, Hans F.; Denlinger, Roger P.

    2013-01-01

    Ash3d is a three-dimensional Eulerian atmospheric model for tephra transport, dispersal, and deposition, written by the authors to study and forecast hazards of volcanic ash clouds and tephra fall. In this report, we explain how to set up simulations using both a web interface and an ASCII input file, and how to view and interpret model output. We also summarize the architecture of the model and some of its properties.

  13. Issues involved in the quantitative 3D imaging of proton doses using optical CT and chemical dosimeters

    NASA Astrophysics Data System (ADS)

    Doran, Simon; Gorjiara, Tina; Kacperek, Andrzej; Adamovics, John; Kuncic, Zdenka; Baldock, Clive

    2015-01-01

    Dosimetry of proton beams using 3D imaging of chemical dosimeters is complicated by a variation with proton linear energy transfer (LET) of the dose-response (the so-called ‘quenching effect’). Simple theoretical arguments lead to the conclusion that the total absorbed dose from multiple irradiations with different LETs cannot be uniquely determined from post-irradiation imaging measurements on the dosimeter. Thus, a direct inversion of the imaging data is not possible and the proposition is made to use a forward model based on appropriate output from a planning system to predict the 3D response of the dosimeter. In addition to the quenching effect, it is well known that chemical dosimeters have a non-linear response at high doses. To the best of our knowledge it has not yet been determined how this phenomenon is affected by LET. The implications for dosimetry of a number of potential scenarios are examined. Dosimeter response as a function of depth (and hence LET) was measured for four samples of the radiochromic plastic PRESAGE®, using an optical computed tomography readout and entrance doses of 2.0 Gy, 4.0 Gy, 7.8 Gy and 14.7 Gy, respectively. The dosimeter response was separated into two components, a single-exponential low-LET response and a LET-dependent quenching. For the particular formulation of PRESAGE® used, deviations from linearity of the dosimeter response became significant for doses above approximately 16 Gy. In a second experiment, three samples were each irradiated with two separate beams of 4 Gy in various different configurations. On the basis of the previous characterizations, two different models were tested for the calculation of the combined quenching effect from two contributions with different LETs. It was concluded that a linear superposition model with separate calculation of the quenching for each irradiation did not match the measured result where two beams overlapped. A second model, which used the concept of an

  14. Near-infrared spectro-interferometry of Mira variables and comparisons to 1D dynamic model atmospheres and 3D convection simulations

    NASA Astrophysics Data System (ADS)

    Wittkowski, M.; Chiavassa, A.; Freytag, B.; Scholz, M.; Höfner, S.; Karovicova, I.; Whitelock, P. A.

    2016-03-01

    Aims: We aim at comparing spectro-interferometric observations of Mira variable asymptotic giant branch (AGB) stars with the latest 1D dynamic model atmospheres based on self-excited pulsation models (CODEX models) and with 3D dynamic model atmospheres including pulsation and convection (CO5BOLD models) to better understand the processes that extend the molecular atmosphere to radii where dust can form. Methods: We obtained a total of 20 near-infrared K-band spectro-interferometric snapshot observations of the Mira variables o Cet, R Leo, R Aqr, X Hya, W Vel, and R Cnc with a spectral resolution of about 1500. We compared observed flux and visibility spectra with predictions by CODEX 1D dynamic model atmospheres and with azimuthally averaged intensities based on CO5BOLD 3D dynamic model atmospheres. Results: Our visibility data confirm the presence of spatially extended molecular atmospheres located above the continuum radii with large-scale inhomogeneities or clumps that contribute a few percent of the total flux. The detailed structure of the inhomogeneities or clumps show a variability on time scales of 3 months and above. Both modeling attempts provided satisfactory fits to our data. In particular, they are both consistent with the observed decrease in the visibility function at molecular bands of water vapor and CO, indicating a spatially extended molecular atmosphere. Observational variability phases are mostly consistent with those of the best-fit CODEX models, except for near-maximum phases, where data are better described by near-minimum models. Rosseland angular diameters derived from the model fits are broadly consistent between those based on the 1D and the 3D models and with earlier observations. We derived fundamental parameters including absolute radii, effective temperatures, and luminosities for our sources. Conclusions: Our results provide a first observational support for theoretical results that shocks induced by convection and pulsation in the

  15. 3D Time Dependent Stokes Vector Radiative Transfer in an Atmosphere-Ocean System Including a Stochastic Interface

    DTIC Science & Technology

    2009-01-01

    phase matrix were determined by letting the elements of the reduced phase matrix ( ˜ P ij = Pij /P11) be equal to those of the reduced Rayleigh...for the solution of 3-D Radiative Transfer Problems”, JQSRT. 45. 47-56, (1991) 3. A. Sánchez, T.F. Smith, and W. F. Krajewski “A three-dimensional...F. Krajewski , “A Multi-dimensional Discrete Ordinates Method for Polarized Radiative Transfer, Part I: Validation for Randomly Oriented

  16. 3D Time Dependent Stokes Vector Radiative Transfer in an Atmosphere-Ocean System Including a Stochastic Interface

    DTIC Science & Technology

    2013-09-30

    vector Monte Carlo code to calculate what is known as SOES (Spatial Offset Elastic Scattering ). We have used our method to calculate the SOES signal... scattering properties, such as different single scattering albedo, different phase function and different phase matrix. Our new 3D vector Monte Carlo ...feature about the asymptotic light field is that it depends profoundly on both the single scattering albedo as well as the phase function of the medium

  17. 3D Time Dependent Stokes Vector Radiative Transfer in an Atmosphere-Ocean System Including a Stochastic Interface

    DTIC Science & Technology

    2007-09-30

    An efficient method for the solution of 3-D Radiative Transfer Problems”, JQSRT. 45. 47-56, (1991) 3. A. Sánchez, T.F. Smith, and W. F. Krajewski ...Haferman, T. F. Smith, and W. F. Krajewski , “A Multi-dimensional Discrete Ordinates Method for Polarized Radiative Transfer, Part I: Validation for...Operator Theory of Radiative Transfer. II. Scattering from Maritime Haze,” Appl. Opt. l2, 1071-1084 (1973). PUBLICATIONS 1. P . Zhai, G. W. Kattawar

  18. Three-Dimensional Mapping of Soil Chemical Characteristics at Micrometric Scale by Combining 2D SEM-EDX Data and 3D X-Ray CT Images

    PubMed Central

    Hapca, Simona; Baveye, Philippe C.; Wilson, Clare; Lark, Richard Murray; Otten, Wilfred

    2015-01-01

    There is currently a significant need to improve our understanding of the factors that control a number of critical soil processes by integrating physical, chemical and biological measurements on soils at microscopic scales to help produce 3D maps of the related properties. Because of technological limitations, most chemical and biological measurements can be carried out only on exposed soil surfaces or 2-dimensional cuts through soil samples. Methods need to be developed to produce 3D maps of soil properties based on spatial sequences of 2D maps. In this general context, the objective of the research described here was to develop a method to generate 3D maps of soil chemical properties at the microscale by combining 2D SEM-EDX data with 3D X-ray computed tomography images. A statistical approach using the regression tree method and ordinary kriging applied to the residuals was developed and applied to predict the 3D spatial distribution of carbon, silicon, iron, and oxygen at the microscale. The spatial correlation between the X-ray grayscale intensities and the chemical maps made it possible to use a regression-tree model as an initial step to predict the 3D chemical composition. For chemical elements, e.g., iron, that are sparsely distributed in a soil sample, the regression-tree model provides a good prediction, explaining as much as 90% of the variability in some of the data. However, for chemical elements that are more homogenously distributed, such as carbon, silicon, or oxygen, the additional kriging of the regression tree residuals improved significantly the prediction with an increase in the R2 value from 0.221 to 0.324 for carbon, 0.312 to 0.423 for silicon, and 0.218 to 0.374 for oxygen, respectively. The present research develops for the first time an integrated experimental and theoretical framework, which combines geostatistical methods with imaging techniques to unveil the 3-D chemical structure of soil at very fine scales. The methodology presented

  19. Three-Dimensional Mapping of Soil Chemical Characteristics at Micrometric Scale by Combining 2D SEM-EDX Data and 3D X-Ray CT Images.

    PubMed

    Hapca, Simona; Baveye, Philippe C; Wilson, Clare; Lark, Richard Murray; Otten, Wilfred

    2015-01-01

    There is currently a significant need to improve our understanding of the factors that control a number of critical soil processes by integrating physical, chemical and biological measurements on soils at microscopic scales to help produce 3D maps of the related properties. Because of technological limitations, most chemical and biological measurements can be carried out only on exposed soil surfaces or 2-dimensional cuts through soil samples. Methods need to be developed to produce 3D maps of soil properties based on spatial sequences of 2D maps. In this general context, the objective of the research described here was to develop a method to generate 3D maps of soil chemical properties at the microscale by combining 2D SEM-EDX data with 3D X-ray computed tomography images. A statistical approach using the regression tree method and ordinary kriging applied to the residuals was developed and applied to predict the 3D spatial distribution of carbon, silicon, iron, and oxygen at the microscale. The spatial correlation between the X-ray grayscale intensities and the chemical maps made it possible to use a regression-tree model as an initial step to predict the 3D chemical composition. For chemical elements, e.g., iron, that are sparsely distributed in a soil sample, the regression-tree model provides a good prediction, explaining as much as 90% of the variability in some of the data. However, for chemical elements that are more homogenously distributed, such as carbon, silicon, or oxygen, the additional kriging of the regression tree residuals improved significantly the prediction with an increase in the R2 value from 0.221 to 0.324 for carbon, 0.312 to 0.423 for silicon, and 0.218 to 0.374 for oxygen, respectively. The present research develops for the first time an integrated experimental and theoretical framework, which combines geostatistical methods with imaging techniques to unveil the 3-D chemical structure of soil at very fine scales. The methodology presented

  20. A possible deuterium anomaly: Implications of the CH3D/CH4 mixing ratios in the atmospheres of Jupiter, Saturn, and Uranus

    NASA Technical Reports Server (NTRS)

    Lutz, Barry L.; Debergh, Catherine; Owen, Tobias

    1986-01-01

    Observations of CH3D in the atmospheres of the outer planets provide a test of the theory of deuterium fractionation equilibrium in the formation and evolution of these planets. Recent measurements of the CH3D/CH4 mixing ratios made for Saturn and Uranus are presented and intercompared with current values of Jupiter, illustrating large differences between the planets. Their implied D/H ratios are compared to D/H ratios derived from measurements of HD/H2; and, in the cases of Jupiter and Saturn, they may be incompatible. Implications of these comparisons are discussed in terms of the deuterium fractionation chemistry and possible enrichments of deuterium in the core ices of the planets.

  1. Effects of Chemical Abundances on the Structure and Dynamics of the Solar Atmosphere

    NASA Astrophysics Data System (ADS)

    Demarque, Pierre; Basu, S.; Robinson, F.; Hunter, C.; Kallinger, T.

    2008-05-01

    This paper presents a comparison between two three-dimensional radiative hydrodynamical (3D RHD) simulations of the solar outer layers using the Grevesse & Sauval (1998; GS98) and the Asplund, Grevesse & Sauval (2005; AGS05) mixtures, respectively. The AGS05 mixture is a revision of the solar abundance mixture using a model atmosphere based on the stratification and dynamics of a solar 3D RHD simulation performed with the GS98 mixture, using the code of Stein & Nordlund (1989, 1998). Our simulations use the same code, and physically realistic treatment of radiative opacities and equation of state as Robinson et al. (2003). A comparison between our GS98 and AGS05 3D simulations shows differences both in the mean vertical temperature gradient and in the turbulent velocity field in the line forming region of the solar atmosphere. The whole superadiabatic layer (SAL) in the AGS05 simulation, including its peak, is shifted outward with respect to the GS98 SAL. Turbulent velocities, critical for absorption line profile calculations, are larger in the AGS05 simulation by about 10%. Since opacities for the AGS05 mixture are lower than those for the GS98 mixture, the T-τ relations derived from the two simulations are different. At 5000K, τ obtained from the GS98 simulation is about 30% larger than that obtained from the AGS05 simulation. These results show the importance of preserving self consistency in the chemical abundances between the model atmosphere and the 3D HRD simulation. When deriving the solar abundances, one must iterate the chemical composition in the model atmosphere, and hence in the 3D simulation on which the atmosphere is based. This research was supported in part by NASA/ATP grant NAG5-13299 (PD and FR) and NSF grant ATM 0348837 to SB.

  2. 3D Time Dependent Stokes Vector Radiative Transfer in an Atmosphere-Ocean System Including a Stochastic Interface

    DTIC Science & Technology

    2010-01-01

    RaDyO platforms, the R/ P FLoating Instrument Platform (FLIP) and the R/V Kilo Moana (KM), are usually different. Among other important results, it is... Krajewski “A three-dimensional atmospheric radiative transfer model based on the discrete ordinates method”, Atmos. Res. 33, 283-308, (1994), 4. J. L...Haferman, T. F. Smith, and W. F. Krajewski , “A Multi-dimensional Discrete Ordinates Method for Polarized Radiative Transfer, Part I: Validation for

  3. The Stagger-grid: A grid of 3D stellar atmosphere models. II. Horizontal and temporal averaging and spectral line formation

    NASA Astrophysics Data System (ADS)

    Magic, Z.; Collet, R.; Hayek, W.; Asplund, M.

    2013-12-01

    Aims: We study the implications of averaging methods with different reference depth scales for 3D hydrodynamical model atmospheres computed with the Stagger-code. The temporally and spatially averaged (hereafter denoted as ⟨3D⟩) models are explored in the light of local thermodynamic equilibrium (LTE) spectral line formation by comparing spectrum calculations using full 3D atmosphere structures with those from ⟨3D⟩ averages. Methods: We explored methods for computing mean ⟨3D⟩ stratifications from the Stagger-grid time-dependent 3D radiative hydrodynamical atmosphere models by considering four different reference depth scales (geometrical depth, column-mass density, and two optical depth scales). Furthermore, we investigated the influence of alternative averages (logarithmic, enforced hydrostatic equilibrium, flux-weighted temperatures). For the line formation we computed curves of growth for Fe i and Fe ii lines in LTE. Results: The resulting ⟨3D⟩ stratifications for the four reference depth scales can be very different. We typically find that in the upper atmosphere and in the superadiabatic region just below the optical surface, where the temperature and density fluctuations are highest, the differences become considerable and increase for higher Teff, lower log g, and lower [Fe / H]. The differential comparison of spectral line formation shows distinctive differences depending on which ⟨3D⟩ model is applied. The averages over layers of constant column-mass density yield the best mean ⟨3D⟩ representation of the full 3D models for LTE line formation, while the averages on layers at constant geometrical height are the least appropriate. Unexpectedly, the usually preferred averages over layers of constant optical depth are prone to increasing interference by reversed granulation towards higher effective temperature, in particular at low metallicity. Appendix A is available in electronic form at http://www.aanda.orgMean ⟨3D⟩ models are

  4. Effects of Type of Exploratory Strategy and Prior Knowledge on Middle School Students' Learning of Chemical Formulas from a 3D Role-Playing Game

    ERIC Educational Resources Information Center

    Chen, Ming-Puu; Wong, Yu-Ting; Wang, Li-Chun

    2014-01-01

    The purpose of this study was to examine the effects of the type of exploratory strategy and level of prior knowledge on middle school students' performance and motivation in learning chemical formulas via a 3D role-playing game (RPG). Two types of exploratory strategies-RPG exploratory with worked-example and RPG exploratory without…

  5. Three Dimensional (3D) Printing: A Straightforward, User-Friendly Protocol to Convert Virtual Chemical Models to Real-Life Objects

    ERIC Educational Resources Information Center

    Rossi, Sergio; Benaglia, Maurizio; Brenna, Davide; Porta, Riccardo; Orlandi, Manuel

    2015-01-01

    A simple procedure to convert protein data bank files (.pdb) into a stereolithography file (.stl) using VMD software (Virtual Molecular Dynamic) is reported. This tutorial allows generating, with a very simple protocol, three-dimensional customized structures that can be printed by a low-cost 3D-printer, and used for teaching chemical education…

  6. Alkynes as a versatile platform for construction of chemical molecular complexity and realization of molecular 3D printing

    NASA Astrophysics Data System (ADS)

    Galkin, K. I.; Ananikov, V. P.

    2016-03-01

    The current level of scientific and technological development requires the formation of general tools and techniques. One of the most versatile technologies is 3D printing, which allows fast and efficient creation of materials and biological objects of desired shape and composition. Today, methods have been developed for 3D printing of macro- and nano-sized objects and for production of films and deposited materials with molecular precision but the most promising technology is printing at the molecular level (molecular 3D printing) for the purpose of direct construction of molecular complexity. This process is currently at the initial stage concerning selection of simple molecules to be used as building blocks possessing flexibility, availability and ease of modification. In this review, we examine the possible versatile synthons suitable for preparation of the main types of organic compounds using molecular 3D printing. The surveyed data strongly indicate that alkyne molecules may be used as a building material in a molecular 3D printer working on hydrocarbons. The bibliography includes 428 references.

  7. [Chemical characteristics of atmospheric precipitation in Shenzhen].

    PubMed

    Niu, Yu-wen; He, Ling-yan; Hu, Min

    2008-04-01

    The precipitation chemical components are good indicators of the air pollution. With rapid economic developing, air quality has greatly changed in Shenzhen. To investigate Chemical feature of precipitation and atmospheric pollution characteristics in Shenzhen, two-year precipitation samples in Shenzhen were collected and analyzed. Based on the dataset, chemical characteristics of rainwater in Shenzhen were discussed. Results show that the concentration of the sum of anions and rations in Shenzhen rainwater was lower compared to northern cities like Beijing, whereas the acidification of rainwater was very serious in Shenzhen. Volume-weighted mean pH values of rainwater were 4.48 and 4.68 respectively, and 88% and 91% of rain events were acidic in 2004 and 2005, respectively. The contribution of SO4(2-) to Shenzhen rainwater acidity was smaller than that in northern cities and NO3- and Cl- played an important part to acidification of Shenzhen precipitation. The contribution of Cl- and Na+ to rainwater chemical components was higher, indicating the significant marine influence on Shenzhen precipitation. The secondary components like SO4(2-), NO3- and NH4+ contributed significantly to total ions of rainwater and they accounted for more than 40% of total ions in 2004 and 2005, which indicated the severe secondary pollution in Shenzhen. There was the obvious difference in origins for different rainwater components. Cl-, K+ and Na+ were mainly from marine contribution while SO4(2-), NO3-, Ca2+ and Mg2+ were mainly from non-sea salt fraction. Formic acid, acetic acid and oxalic acid were most abundant low-molecular weight organic acids and the sum of their concentrations accounted for 94% and 99% of total organic acids determined in 2004 and 2005, respectively.

  8. Novel 3D Tissue Engineered Bone Model, Biomimetic Nanomaterials, and Cold Atmospheric Plasma Technique for Biomedical Applications

    NASA Astrophysics Data System (ADS)

    Wang, Mian

    This thesis research is consist of four chapters, including biomimetic three-dimensional tissue engineered nanostructured bone model for breast cancer bone metastasis study (Chapter one), cold atmospheric plasma for selectively ablating metastatic breast cancer (Chapter two), design of biomimetic and bioactive cold plasma modified nanostructured scaffolds for enhanced osteogenic differentiation of bone marrow derived mesenchymal stem cells (Chapter three), and enhanced osteoblast and mesenchymal stem cell functions on titanium with hydrothermally treated nanocrystalline hydroxyapatite/magnetically treated carbon nanotubes for orthopedic applications (Chapter four). All the thesis research is focused on nanomaterials and the use of cold plasma technique for various biomedical applications.

  9. Characterization of small-scale heating events in the solar atmosphere from 3D-MHD simulations and their potential role in coronal heating

    NASA Astrophysics Data System (ADS)

    Guerreiro, Nuno; Haberreiter, Margit; Hansteen, Viggo; Schmutz, Werner

    2016-04-01

    Aiming at better understanding the mechanism(s) responsible for the coronal heating and the ubiquitous redshifts observed in the lower transition region we focus on analyzing the properties of small-scale heating events (SSHEs) in the solar atmosphere. We present a comprehensive method to follow SSHEs over time in 3D-MHD simulations of the solar atmosphere. Applying the method we are able to better understand the properties of the SSHEs and how the plasma in their vicinity respond to them. We present results for the lifetime, energy and spectral signatures of the SSHEs. Ultimately, these results will be important for the coordinated scientific exploration of SPICE and EUI along with other interments on board solar orbiter. ​

  10. Detection and characterization of small-scale heating events in the solar atmosphere from 3D-MHD simulations and their potential role in coronal heating

    NASA Astrophysics Data System (ADS)

    Guerreiro, Nuno; Haberreiter, Margit; Schmutz, Werner; Hansteen, Viggo

    2016-07-01

    Aiming at better understanding the mechanism(s) responsible for the coronal heating we focus on analyzing the properties of the magnetically generated small-scale heating events (SSHEs) in the solar atmosphere. We present a comprehensive method to detect and follow SSHEs over time in 3D-MHD simulations of the solar atmosphere. Applying the method we are able to better understand the properties of the SSHEs and how the plasma in their vicinity respond to them. We study the lifetime, energy and spectral signatures and show that the energy flux dissipated by them is enough to heat the corona. Ultimately, these results will be important for the coordinated scientific exploration of SPICE and EUI along with other instruments on board solar orbiter.

  11. The integration of 3D electrical resistivity tomography and ET flux measurements to characterize water mass balance in the soil-plant-atmosphere continuum

    NASA Astrophysics Data System (ADS)

    Vanella, Daniela; Boaga, Jacopo; Perri, Maria Teresa; Consoli, Simona; Cassiani, Giorgio

    2014-05-01

    The system of soil, vegetation, and the adjacent atmosphere is characterized by complex patterns, structures, and processes that act on a wide range of time and space scales. While the exchange of energy and water is continuous between compartments, the pertinent fluxes are strongly heterogeneous and variable in space and time. Therefore, quantitatively predicting the systems' behaviour constitutes a major challenge. Traditionally, soil moisture beneath irrigated crops has been determined using point measurement methods such as neutron probes or capacitance systems. These approaches cannot measure soil moisture at depths beyond the root-zone of plants and have limited lateral coverage. Literature results show that electrical resistivity tomography (ERT) can be used to reliable map the spatial heterogeneity in soil moisture. Here we present the application of the time-lapse non-invasive 3D micro - electrical tomography (ERT) to monitor soil-plant interactions in the root zone of an orange tree located in the Mediterranean semi-arid Sicilian (South Italy) context. The subsoil dynamics, particularly influenced by irrigation and root uptake, has been characterized a 3D ERT apparatus consisting of 48 buried electrodes on 4 instrumented micro boreholes plus 24 mini-electrodes on the surface spaced 0.1 m on a square grid. During the monitoring, repeated ERT soil moisture measurements were collected, as well as laboratory characterization of the soil electrical properties as a function of moisture content and pore water electrical conductivity. Plant transpiration was continuously monitored during the ERT experiment by the sap flow heat pulse (HP) method for a quantitative analysis of the mass balance in the soil-plant-atmosphere system under observation. In addition, evapo-transpiration has been continuously monitored at the same site using an eddy-correlation tower. The integration of measurements regarding soil,plant and atmosphere allows a better understanding of

  12. Semi-classical H2-broadening coefficients of 12CH3D rovibrational lines and their temperature dependence for planetary atmosphere modeling

    NASA Astrophysics Data System (ADS)

    Sinyakova, T.; Buldyreva, J.

    2017-01-01

    Theoretical hydrogen-broadening coefficients and associated temperature exponents for 12CH3D (J, K) lines in parallel (ΔK = 0) bands are calculated by a semi-classical approach based on a rigorous consideration of the active molecule as a symmetric top, a model intermolecular potential comprising both short- and long-range interactions, and exact classical trajectories. The leading potential terms are shown to provide a realistic description of line broadening in comparison with scarce measurements available in the literature. The calculations performed for 296, 240 and 190 K are used to extract the line-width temperature-dependence exponents for the typical temperature range of atmospheric interest ∼200-300 K. Detailed P-Q-R-line lists are provided for large intervals of quantum numbers (0 ≤ J ≤ 20, 0 ≤ K ≤ J) requested for remote sensing of planetary atmospheres, in particular those of outer planets and their moons. With negligible vibrational dependence of CH3D line-widths and estimated as negligible their sub-branch dependence, these data can be also employed for perpendicular bands.

  13. 3D Time Dependent Stokes Vector Radiative Transfer in an Atmosphere-Ocean System Including a Stochastic Interface

    DTIC Science & Technology

    2011-09-30

    1 m 440 nm (b) 488 nm (c) 0.0 0.2 0.4 0.6 0.8 1.0 510 nm D oL P (d) 532 nm (e) 555 nm (f) -90 -45 0 45 90 135 0.0 0.2 0.4 0.6 0.8 1.0 650 nm (g) -90...1 m 440 nm (b) 488 nm (c) -90 -45 0 45 90 510 nm A oL P (d) 532 nm (e) 555 nm (f) -90 -45 0 45 90 135 -90 -45 0 45 90 650 nm (g) -90 -45 0 45 90 135...47-56, (1991) 3. A. Sánchez, T.F. Smith, and W. F. Krajewski “A three-dimensional atmospheric radiative transfer model based on the discrete

  14. OVOC (Oxygenated Volatile Organic Chemicals) in the Global Atmosphere: Atmospheric Budgets, Oceanic Concentrations, and Uncertainties

    NASA Technical Reports Server (NTRS)

    Singh, Hanwant B.

    2004-01-01

    Airborne measurements of oxygenated volatile organic chemicals (OVOC), OH free radicals, and tracers of pollution were performed over the Pacific during Winter/Spring of 2001. Large concentrations of OVOC are present in the global troposphere and are expected to play an important role in atmospheric chemistry. Their total abundance (SIGMAOVOC) was nearly twice that of non-methane hydrocarbons (SIGMAC2-C8 NMHC). Throughout the troposphere, the OH reactivity of OVOC is comparable to that of methane and far exceeds that of NHMC. A comparison of these data with western Pacific observations collected some seven years earlier (Feb.-March, 1994) did not reveal significant differences. Analysis of the relative enhancement of selected OVOC with respect to CH3Cl and CO in twelve plumes originating from fires and sampled in the free troposphere (3-11 km) is used to assess their primary and secondary emissions from biomass combustion. The composition of these plumes also indicates a large shift of reactive nitrogen into the PAN reservoir thereby limiting ozone formation. These data are combined with other observations and interpreted with the help of a global 3-D model to assess OVOC global sources and sinks. We further interpret atmospheric observations with the help of an air-sea exchange model io show that oceans can be both net sorces and sinks. An extremely large oceanic reservoir of OVOC, that exceeds the atmospheric reservoir by more than an order of magnitude, can be inferred to be present. We conclude that OVOC sources are extremely large (150-500 TgC y-1) but remain poorly quantified. In many cases, measured concentrations are uncertain and incompatible with our present knowledge of atmospheric chemistry. Results based on observations from several field studies and critical gaps will be discussed.

  15. Structurally Defined 3D Nanographene Assemblies via Bottom-Up Chemical Synthesis for Highly Efficient Lithium Storage

    DOE PAGES

    Yen, Hung-Ju; Tsai, Hsinhan; Zhou, Ming; ...

    2016-10-10

    In this paper, functionalized 3D nanographenes with controlled electronic properties have been synthesized through a multistep organic synthesis method and are further used as promising anode materials for lithium-ion batteries, exhibiting a much increased capacity (up to 950 mAh g-1), three times higher than that of the graphite anode (372 mAh g-1).

  16. CROSS DRIVE: A New Interactive and Immersive Approach for Exploring 3D Time-Dependent Mars Atmospheric Data in Distributed Teams

    NASA Astrophysics Data System (ADS)

    Gerndt, Andreas M.; Engelke, Wito; Giuranna, Marco; Vandaele, Ann C.; Neary, Lori; Aoki, Shohei; Kasaba, Yasumasa; Garcia, Arturo; Fernando, Terrence; Roberts, David; CROSS DRIVE Team

    2016-10-01

    Atmospheric phenomena of Mars can be highly dynamic and have daily and seasonal variations. Planetary-scale wavelike disturbances, for example, are frequently observed in Mars' polar winter atmosphere. Possible sources of the wave activity were suggested to be dynamical instabilities and quasi-stationary planetary waves, i.e. waves that arise predominantly via zonally asymmetric surface properties. For a comprehensive understanding of these phenomena, single layers of altitude have to be analyzed carefully and relations between different atmospheric quantities and interaction with the surface of Mars have to be considered. The CROSS DRIVE project tries to address the presentation of those data with a global view by means of virtual reality techniques. Complex orbiter data from spectrometer and observation data from Earth are combined with global circulation models and high-resolution terrain data and images available from Mars Express or MRO instruments. Scientists can interactively extract features from those dataset and can change visualization parameters in real-time in order to emphasize findings. Stereoscopic views allow for perception of the actual 3D behavior of Mars's atmosphere. A very important feature of the visualization system is the possibility to connect distributed workspaces together. This enables discussions between distributed working groups. The workspace can scale from virtual reality systems to expert desktop applications to web-based project portals. If multiple virtual environments are connected, the 3D position of each individual user is captured and used to depict the scientist as an avatar in the virtual world. The appearance of the avatar can also scale from simple annotations to complex avatars using tele-presence technology to reconstruct the users in 3D. Any change of the feature set (annotations, cutplanes, volume rendering, etc.) within the VR is immediately exchanged between all connected users. This allows that everybody is always

  17. Measurement of atmospheric radicals by chemical amplification

    NASA Astrophysics Data System (ADS)

    Arias, Maria Corina

    1998-11-01

    In this work, atmospheric radicals were measured using the chemical amplification technique. To calibrate the chemical amplifier, an UV water photolysis radical source was built and tested. This source proved to be reliable and portable, and capable of delivering radical concentrations within the range of values found in the troposphere. We tested the performance of our instrument at the Peroxy Radical InterComparison Exercise II (PRICE II). In this intercomparison seven chemical amplifiers participated measuring several HO2 and CH3O2 concentrations. Results from this campaign indicate that all of the chemical amplifiers are equally capable of measuring HO2 and CH3O2 radicals from two different radical sources (ICG-HO2 source and UEA- CH3O2 source). The average response towards the ICG and UEA sources were 70% and 45%, respectively. Losses in the delivery system are thought to be responsible for these low responses. Radical measurements were taken at 4 contrasting sites: Atlantic '96 (clean continental), SONTOS '92 and '93 (rural), Calabozo '93 (tropical clean continental), and Pacific '93 (predominantly urban), where maximum ROx concentrations ranged from 17 to 52 pptv. These values are consistent with those found in the literature for similar regions. The measured radical concentrations reflect the interaction between the main production and loss processes at the different sites, as for example ozone photolysis and HNO3 formation. At Calabozo, the combination of moderate O3, low NOx and small Zenith angles resulted in the highest ROx measured. At the Pacific '93 site, O3 is higher, but NOx concentrations are also very high, enhancing the radical loss processes, and explaining the moderate radical concentrations observed. At Atlantic '96 the very low NOx concentration might account for the radical concentrations observed, even in the presence of low O3 concentrations. At SONTOS, the highest ozone concentrations were observed, so we would expect the radical

  18. Chemical mechanisms governing atmospheric new particle formation

    NASA Astrophysics Data System (ADS)

    Bzdek, Bryan Richard

    The goal of this dissertation is to understand the chemistry that governs new particle formation, a ubiquitous and important atmospheric process. New particle formation occurs when gas phase precursors condense to create small molecular clusters on the order of 1 nm diameter. Those clusters must then grow rapidly and ultimately may serve as the seeds for cloud droplets. However, modelers have substantial difficulty predicting the frequency and efficiency of new particle formation. This predictive difficulty is an important contributor to the uncertainty in aerosol effects on global climate and therefore also contributes to the large uncertainty in anthropogenic effects on climate. To reduce these uncertainties, a more precise understanding of how particles nucleate and grow in the atmospheric is required. In this dissertation, mass spectrometry is used to determine the chemical processes involved in new particle formation. Gas phase species such as sulfuric acid, ammonia, amines, and organic matter are contributors but exactly how and how much each contributes to the growth of nanoparticles is not well understood. Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) and Nano Aerosol Mass Spectrometry (NAMS) are used to study the chemical composition and reactivity of clusters < 3 nm diameter and nanoparticles 10-20 nm diameter, respectively. The FTICR-MS studies are laboratory based, whereas the NAMS studies are field based. Measurements of cluster composition and reactivity using FTICR-MS permit prediction of the composition of ambient molecular clusters. For ambient molecular clusters to become relevant to climate by serving as cloud condensation nuclei, they must grow rapidly. NAMS measurements at 20 nm diameter permit determination of nanoparticle growth pathways. This dissertation shows that sulfuric acid adds to both clusters and nanoparticles in a collision limited manner. On the other hand, ammonia uptake in both size regimes may not

  19. Structurally Defined 3D Nanographene Assemblies via Bottom-Up Chemical Synthesis for Highly Efficient Lithium Storage

    SciTech Connect

    Yen, Hung-Ju; Tsai, Hsinhan; Zhou, Ming; Holby, Edward F.; Choudhury, Samrat; Chen, Aiping; Adamska, Lyudmyla; Tretiak, Sergei; Sanchez, Timothy; Iyer, Srinivas; Zhang, Hanguang; Zhu, Lingxiang; Lin, Haiqing; Dai, Liming; Wu, Gang; Wang, Hsing-Lin

    2016-10-10

    In this paper, functionalized 3D nanographenes with controlled electronic properties have been synthesized through a multistep organic synthesis method and are further used as promising anode materials for lithium-ion batteries, exhibiting a much increased capacity (up to 950 mAh g-1), three times higher than that of the graphite anode (372 mAh g-1).

  20. Radiochromic 3D Detectors

    NASA Astrophysics Data System (ADS)

    Oldham, Mark

    2015-01-01

    Radiochromic materials exhibit a colour change when exposed to ionising radiation. Radiochromic film has been used for clinical dosimetry for many years and increasingly so recently, as films of higher sensitivities have become available. The two principle advantages of radiochromic dosimetry include greater tissue equivalence (radiologically) and the lack of requirement for development of the colour change. In a radiochromic material, the colour change arises direct from ionising interactions affecting dye molecules, without requiring any latent chemical, optical or thermal development, with important implications for increased accuracy and convenience. It is only relatively recently however, that 3D radiochromic dosimetry has become possible. In this article we review recent developments and the current state-of-the-art of 3D radiochromic dosimetry, and the potential for a more comprehensive solution for the verification of complex radiation therapy treatments, and 3D dose measurement in general.

  1. Implementation of a 3D Coupled Hydrodynamic and Contaminant Fate Model for PCDD/Fs in Thau Lagoon (France): The Importance of Atmospheric Sources of Contamination

    PubMed Central

    Dueri, Sibylle; Marinov, Dimitar; Fiandrino, Annie; Tronczyński, Jacek; Zaldívar, José-Manuel

    2010-01-01

    A 3D hydrodynamic and contaminant fate model was implemented for polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in Thau lagoon. The hydrodynamic model was tested against temperature and salinity measurements, while the contaminant fate model was assessed against available data collected at different stations inside the lagoon. The model results allow an assessment of the spatial and temporal variability of the distribution of contaminants in the lagoon, the seasonality of loads and the role of atmospheric deposition for the input of PCDD/Fs. The outcome suggests that air is an important source of PCDD/Fs for this ecosystem, therefore the monitoring of air pollution is very appropriate for assessing the inputs of these contaminants. These results call for the development of integrated environmental protection policies. PMID:20617040

  2. Characterisation of small-scale heating events in the solar atmosphere from 3D MHD simulations and their potential role in coronal heating

    NASA Astrophysics Data System (ADS)

    Haberreiter, M.; Guerreiro, N.; Hansteen, V. H.; Schmutz, W. K.

    2015-12-01

    The physical mechanism that heats the solar corona is one of the still open science questions in solar physics. One of the proposed mechanism for coronal heating are nanoflares. To investigate their role in coronal heating we study the properties of the small-scale heating events in the solar atmosphere using 3D MHD simulations. We present a method to identify and track these heating events in time which allows us to study their life time, energy, and spectral signatures. These spectal signatures will be compared with available spectrosopic observations obtained with IRIS and SUMER. Ultimately, these results will be important for the coordinated scientific exploitation of SPICE and EUI along with other instruments onboard Solar Orbiter to address the coronal heating problem.

  3. Ionization of Samarium by Chemical Releases in the Upper Atmosphere

    NASA Astrophysics Data System (ADS)

    Siefring, C. L.; Bernhardt, P. A.; Holmes, J. M.; Pedersen, T. R.; Caton, R.; Miller, D.; Groves, K. M.

    2014-12-01

    The release of Samarium vapor into the upper atmosphere was studied using during the Air Force Research Laboratory sponsored Metal Oxide Space Cloud (MOSC) rocket launches in May 2009. The Naval Research Laboratory supported these experiments with 3-D photochemical modeling of the artificial plasma cloud including (1) reactions with atomic oxygen, (2) photo excitation, (3) photoionization, (4) dissociative recombination, and (5) ion and neutral diffusion. NRL provided the experimental diagnostic instrument on the rocket which was a dual frequency radio beacon on the rocket to measure changes in total electron content. The AFRL provided ground based diagnostics of incoherent scatter radar and optical spectroscopy and imagery. The NRL Chemical Release Model (CRM) has over 600 excited states of atomic Samarium neutrals, atomic ions, along with Samarium Oxide Ions and electrons. Diffusive transport of neutrals in cylindrical geometry and ions along magnetic field lines is computed along with the reactive flow to predict the concentrations of Sm, Sm-Ion, Sm0, and SmO Ion. Comparison of the CRM with observations demonstrates that Sm release into the upper atmosphere initially produces enhanced electron densities and SmO-Ions. The diatomic ions recombine with electrons to yield neutral Sm and O. Only the photo ionization of Sm yields a stable atomic ion that does not substantially recombine. The MOSC releases in sunlight yielded long duration ion clouds that can be replicated with the CRM. The CRM predicts that Sm releases in darkness would not produce long duration plasma clouds because of the lack of photo excitation and photoionization.

  4. Mapping of the C3d ligand binding site on complement receptor 2 (CR2/CD21) using nuclear magnetic resonance and chemical shift analysis.

    PubMed

    Kovacs, James M; Hannan, Jonathan P; Eisenmesser, Elan Z; Holers, V Michael

    2009-04-03

    Complement receptor 2 (CR2, CD21) is a cell membrane protein, with 15 or 16 extracellular short consensus repeats (SCRs), that promotes B lymphocyte responses and bridges innate and acquired immunity. The most distally located SCRs (SCR1-2) mediate the interaction of CR2 with its four known ligands (C3d, Epstein-Barr virus gp350, interferon-alpha, and CD23). Inhibitory monoclonal antibodies against SCR1-2 block binding of all ligands. To develop ligand-specific inhibitors that would also assist in identifying residues unique to each receptor-ligand interaction, phage were selected from randomly generated libraries by panning with recombinant SCR1-2, followed by specific ligand-driven elution. Derived peptides were tested by competition ELISA. One peptide, C3dp1 (APQHLSSQYSRT) exhibited ligand-specific inhibition at midmicromolar IC(50). C3d was titrated into (15)N-labeled SCR1-2, which revealed chemical shift changes indicative of specific intermolecular interactions. With backbone assignments made, the chemical shift changes were mapped onto the crystal structure of SCR1-2. With regard to C3d, the binding surface includes regions of SCR1, SCR2, and the inter-SCR linker, specifically residues Arg(13), Tyr(16), Arg(28), Tyr(29), Ser(32), Thr(34), Lys(48), Asp(56), Lys(57), Tyr(68), Arg(83), Gly(84), Asn(101), Asn(105), and Ser(109). SCR1 and SCR2 demonstrated distinct binding modes. The CR2 binding surface incorporating SCR1 is inconsistent with a previous x-ray CR2-C3d co-crystal analysis but consistent with mutagenesis, x-ray neutron scattering, and inhibitory monoclonal antibody epitope mapping. Titration with C3dp1 yielded chemical shift changes (Arg(13), Tyr(16), Thr(34), Lys(48), Asp(56), Lys(57), Tyr(68), Arg(83), Gly(84), Asn(105), and Ser(109)) overlapping with C3d, indicating that C3dp1 interacts at the same CR2 site as C3d.

  5. The applications of chemical thermodynamics and chemical kinetics to planetary atmospheres research

    NASA Technical Reports Server (NTRS)

    Fegley, Bruce, Jr.

    1990-01-01

    A review of the applications of chemical thermodynamics and chemical kinetics to planetary atmospheres research during the past four decades is presented with an emphasis on chemical equilibrium models and thermochemical kinetics. Several current problems in planetary atmospheres research such as the origin of the atmospheres of the terrestrial planets, atmosphere-surface interactions on Venus and Mars, deep mixing in the atmospheres of the gas giant planets, and the origin of the atmospheres of outer planet satellites all require laboratory data on the kinetics of thermochemical reactions for their solution.

  6. Mapping tropical biodiversity using spectroscopic imagery : characterization of structural and chemical diversity with 3-D radiative transfer modeling

    NASA Astrophysics Data System (ADS)

    Feret, J. B.; Gastellu-Etchegorry, J. P.; Lefèvre-Fonollosa, M. J.; Proisy, C.; Asner, G. P.

    2014-12-01

    The accelerating loss of biodiversity is a major environmental trend. Tropical ecosystems are particularly threatened due to climate change, invasive species, farming and natural resources exploitation. Recent advances in remote sensing of biodiversity confirmed the potential of high spatial resolution spectroscopic imagery for species identification and biodiversity mapping. Such information bridges the scale-gap between small-scale, highly detailed field studies and large-scale, low-resolution satellite observations. In order to produce fine-scale resolution maps of canopy alpha-diversity and beta-diversity of the Peruvian Amazonian forest, we designed, applied and validated a method based on spectral variation hypothesis to CAO AToMS (Carnegie Airborne Observatory Airborne Taxonomic Mapping System) images, acquired from 2011 to 2013. There is a need to understand on a quantitative basis the physical processes leading to this spectral variability. This spectral variability mainly depends on canopy chemistry, structure, and sensor's characteristics. 3D radiative transfer modeling provides a powerful framework for the study of the relative influence of each of these factors in dense and complex canopies. We simulated series of spectroscopic images with the 3D radiative model DART, with variability gradients in terms of leaf chemistry, individual tree structure, spatial and spectral resolution, and applied methods for biodiversity mapping. This sensitivity study allowed us to determine the relative influence of these factors on the radiometric signal acquired by different types of sensors. Such study is particularly important to define the domain of validity of our approach, to refine requirements for the instrumental specifications, and to help preparing hyperspectral spatial missions to be launched at the horizon 2015-2025 (EnMAP, PRISMA, HISUI, SHALOM, HYSPIRI, HYPXIM). Simulations in preparation include topographic variations in order to estimate the robustness

  7. Comparison of accelerated 3-D spiral chemical shift imaging and single-voxel spectroscopy at 3T in the pediatric age group.

    PubMed

    Yazbek, Sandrine; Prabhu, Sanjay P; Connaughton, Pauline; Grant, Patricia E; Gagoski, Borjan

    2015-08-01

    Single-voxel spectroscopy (SVS) is usually used in the pediatric population when a short acquisition time is crucial. To overcome the long acquisition time of 3-D phase-encoded chemical shift imaging (CSI) and lack of spatial coverage of single-voxel spectroscopy, efficient encoding schemes using spiral k-space trajectories have been successfully deployed, enabling acquisition of volumetric CSI in <5 min. We assessed feasibility of using 3-D spiral CSI sequence routinely in pediatric clinical settings by comparing its reconstructed spectra against SVS spectra. Volumetric spiral CSI obtained spectra from 2-cc isotropic voxels over a 16×16×10-cm region. SVS acquisition encoded a 3.4-cc (1.5-mm) isotropic voxel. Acquisition time was 3 min for every technique. Data were gathered prospectively from 11 random pediatric patients. Spectra from left basal ganglia were obtained using both techniques and were processed with post-processing software. The following metabolite ratios were calculated: N-acetylaspartate/creatine (NAA/Cr), choline/creatine (Cho/Cr), lactate/creatine (Lac/Cr) and N-acetylapartate/choline (NAA/Cho). We collected data on 11 children ages 4 days to 10 years. In 10/11 cases, spectral quality of both methods was acceptable. Considering 10/11 cases, we found a statistically significant difference between SVS and 3-D spiral CSI for all three ratios. However, this difference was fixed and was probably caused by a fixed bias. This means that 3-D spiral CSI can be used instead of SVS by removing the mean difference between the methods for each ratio. Accelerated 3-D CSI is feasible in pediatric patients and can potentially substitute for SVS.

  8. 3D mapping of water in oolithic limestone at atmospheric and vacuum saturation using X-ray micro-CT differential imaging

    SciTech Connect

    Boone, M.A.; De Kock, T.; Bultreys, T.; De Schutter, G.; Vontobel, P.; Van Hoorebeke, L.; Cnudde, V.

    2014-11-15

    Determining the distribution of fluids in porous sedimentary rocks is of great importance in many geological fields. However, this is not straightforward, especially in the case of complex sedimentary rocks like limestone, where a multidisciplinary approach is often needed to capture its broad, multimodal pore size distribution and complex pore geometries. This paper focuses on the porosity and fluid distribution in two varieties of Massangis limestone, a widely used natural building stone from the southeast part of the Paris basin (France). The Massangis limestone shows locally varying post-depositional alterations, resulting in different types of pore networks and very different water distributions within the limestone. Traditional techniques for characterizing the porosity and pore size distribution are compared with state-of-the-art neutron radiography and X-ray computed microtomography to visualize the distribution of water inside the limestone at different imbibition conditions. X-ray computed microtomography images have the great advantage to non-destructively visualize and analyze the pore space inside of a rock, but are often limited to the larger macropores in the rock due to resolution limitations. In this paper, differential imaging is successfully applied to the X-ray computed microtomography images to obtain sub-resolution information about fluid occupancy and to map the fluid distribution in three dimensions inside the scanned limestone samples. The detailed study of the pore space with differential imaging allows understanding the difference in the water uptake behavior of the limestone, a primary factor that affects the weathering of the rock. - Highlights: • The water distribution in a limestone was visualized in 3D with micro-CT. • Differential imaging allowed to map both macro and microporous zones in the rock. • The 3D study of the pore space clarified the difference in water uptake behavior. • Trapped air is visualized in the moldic

  9. Inferring the unobserved chemical state of the atmosphere: idealized data assimilation experiments

    NASA Astrophysics Data System (ADS)

    Knote, C. J.; Barré, J.; Eckl, M.; Hornbrook, R. S.; Wiedinmyer, C.; Emmons, L. K.; Orlando, J. J.; Tyndall, G. S.; Arellano, A. F.

    2015-12-01

    Chemical data assimilation in numerical models of the atmosphere is a venture into uncharted territory, into a world populated by a vast zoo of chemical compounds with strongly non-linear interactions. Commonly assimilated observations exist for only a selected few of those key gas phase compounds (CO, O3, NO2), and assimilating those in models assuming linearity begs the question of: To what extent we can infer the remainder to create a new state of the atmosphere that is chemically sound and optimal? In our work we present the first systematic investigation of sensitivities that exist between chemical compounds under varying ambient conditions in order to inform scientists on the potential pitfalls when assimilating single/few chemical compounds into complex 3D chemistry transport models. In order to do this, we developed a box-modeling tool (BOXMOX) based on the Kinetic PreProcessor (KPP, http://people.cs.vt.edu/~asandu/Software/Kpp/) in which we can conduct simulations with a suite of 'mechanisms', sets of differential equations describing atmospheric photochemistry. The box modeling approach allows us to sample a large variety of atmospheric conditions (urban, rural, biogenically dominated, biomass burning plumes) to capture the range of chemical conditions that typically exist in the atmosphere. Included in our suite are 'lumped' mechanisms typically used in regional and global chemistry transport models (MOZART, RACM, RADM2, SAPRC99, CB05, CBMZ) as well as the Master Chemical Mechanism (MCM, U. Leeds). We will use an Observing System Simulation Experiment approach with the MCM prediction as 'nature' or 'true' state, assimilating idealized synthetic observations (from MCM) into the different ‚lumped' mechanisms under various environments. Two approaches to estimate the sensitivity of the chemical system will be compared: 1) adjoint: using Jacobians computed by KPP and 2) ensemble: by perturbing emissions, temperature, photolysis rates, entrainment, etc., in

  10. Model atmospheres for cool stars. [varying chemical composition

    NASA Technical Reports Server (NTRS)

    Johnson, H. R.

    1974-01-01

    This report contains an extensive series of model atmospheres for cool stars having a wide range in chemical composition. Model atmospheres (temperature, pressure, density, etc.) are tabulated, along with emergent energy flux distributions, limb darkening, and information on convection for selected models. The models are calculated under the usual assumptions of hydrostatic equilibrium, constancy of total energy flux (including transport both by radiation and convection) and local thermodynamic equilibrium. Some molecular and atomic line opacity is accounted for as a straight mean. While cool star atmospheres are regimes of complicated physical conditions, and these atmospheres are necessarily approximate, they should be useful for a number of kinds of spectral and atmospheric analysis.

  11. On Detecting Biospheres from Chemical Thermodynamic Disequilibrium in Planetary Atmospheres.

    PubMed

    Krissansen-Totton, Joshua; Bergsman, David S; Catling, David C

    2016-01-01

    Atmospheric chemical disequilibrium has been proposed as a method for detecting extraterrestrial biospheres from exoplanet observations. Chemical disequilibrium is potentially a generalized biosignature since it makes no assumptions about particular biogenic gases or metabolisms. Here, we present the first rigorous calculations of the thermodynamic chemical disequilibrium in Solar System atmospheres, in which we quantify the available Gibbs energy: the Gibbs free energy of an observed atmosphere minus that of atmospheric gases reacted to equilibrium. The purely gas phase disequilibrium in Earth's atmosphere is mostly attributable to O2 and CH4. The available Gibbs energy is not unusual compared to other Solar System atmospheres and smaller than that of Mars. However, Earth's fluid envelope contains an ocean, allowing gases to react with water and requiring a multiphase calculation with aqueous species. The disequilibrium in Earth's atmosphere-ocean system (in joules per mole of atmosphere) ranges from ∼20 to 2 × 10(6) times larger than the disequilibria of other atmospheres in the Solar System, where Mars is second to Earth. Only on Earth is the chemical disequilibrium energy comparable to the thermal energy per mole of atmosphere (excluding comparison to Titan with lakes, where quantification is precluded because the mean lake composition is unknown). Earth's disequilibrium is biogenic, mainly caused by the coexistence of N2, O2, and liquid water instead of more stable nitrate. In comparison, the O2-CH4 disequilibrium is minor, although kinetics requires a large CH4 flux into the atmosphere. We identify abiotic processes that cause disequilibrium in the other atmospheres. Our metric requires minimal assumptions and could potentially be calculated from observations of exoplanet atmospheres. However, further work is needed to establish whether thermodynamic disequilibrium is a practical exoplanet biosignature, requiring an assessment of false positives, noisy

  12. Radionuclide Incorporation in Secondary Crystalline Minerals Resulting from Chemical Weathering of Selected Waste Glasses: Progress Report for Subtask 3d

    SciTech Connect

    SV Mattigod; DI Kaplan; VL LeGore; RD Orr; HT Schaef; JS Young

    1998-10-23

    Experiments were conducted in fiscal year 1998 by Pacific Northwest National Laboratory to evaluate potential incorporation of radionuclides in secondary mineral phases that form from weathering vitrified nuclear waste glasses. These experiments were conducted as part of the Immobilized Low- Activity Waste-Petiormance Assessment (ILAW-PA) to generate data on radionuclide mobilization and transport in a near-field enviromnent of disposed vitrified wastes. An initial experiment was conducted to identify the types of secondary minerals that form from two glass samples of differing compositions, LD6 and SRL202. Chemical weathering of LD6 glass at 90oC in contact with an aliquot of uncontaminated Hanford Site groundwater resulted in the formation of a Crystalline zeolitic mineral, phillipsite. In contrast similar chemical weathering of SRL202 glass at 90"C resulted in the formation of a microcrystalline smectitic mineral, nontronite. A second experiment was conducted at 90"C to assess the degree to which key radionuclides would be sequestered in the structure of secondary crystalline minerals; namely, phillipsite and nontronite. Chemical weathering of LD6 in contact with radionuclide-spiked Hanford Site groundwater indicated that substantial ilactions of the total activities were retained in the phillipsite structure. Similar chemical weathering of SRL202 at 90"C, also in contact with radionuclide-spiked Hanford Site groundwater, showed that significant fractions of the total activities were retained in the nontronite structure. These results have important implications regarding the radionuclide mobilization aspects of the ILAW-PA. Additional studies are required to confkm the results and to develop an improved under- standing of mechanisms of sequestration and attenuated release of radionuclides to help refine certain aspects of their mobilization.

  13. Analysis of long-range transport of aerosols for Portugal using 3D chemical transport model and satellite measurements

    NASA Astrophysics Data System (ADS)

    Tchepel, O.; Ferreira, J.; Fernandes, A. P.; Basart, S.; Baldasano, J. M.; Borrego, C.

    2013-01-01

    The objective of this work is to assess the contribution of long-range transport of mineral dust from North Africa to the air pollution levels in Portugal based on a combination of a modelling approach and satellite observations. The Comprehensive Air Quality Model (CAMx) was applied together with the updated Dust REgional Atmospheric Model (BSC-DREAM8b) to characterise anthropogenic and natural sources of primary aerosols as well as secondary aerosols formation. The modelling results, after their validation and bias removing process, have been used in combination with aerosol measurements provided by Ozone Monitoring Instrument (OMI), using OMAERUV Level-2 v003 product, aiming to better understand the advantages and shortcomings of both, satellite and modelling aerosol data. The data analysis is presented for Portugal for July 2006 focusing on aerosol optical depth (AOD) at 500 nm and aerosol type. Based on the modelling results, the importance of the long-range transport of mineral dust was demonstrated for the simulation days, achieving a 60% contribution to AOD levels. The mineral dust is affecting atmospheric layers up to 6 km but peak concentrations are presented at layers below 2 km. The model predicts a complex mixture of different types of aerosol for the pixels classified by OMI as "mineral dust" and "sulphates". Although a good agreement between the model outputs and OMI observations has been found in terms of the spatial pattern and AOD correlation is about 0.48 for mineral dust, several problems were identified. The model is systematically underestimating the aerosol concentration at near ground level in comparison with the air quality monitoring stations, while OMI is in general overestimating AOD for the analysed period based on the comparison with AERONET data. Additionally, misclassification of mineral dust for some geographical locations and discontinuity in AOD values along the coastal line at water/land interface in the OMI data are discussed.

  14. Aqueous organic chemistry in the atmosphere: sources and chemical processing of organic aerosols.

    PubMed

    McNeill, V Faye

    2015-02-03

    Over the past decade, it has become clear that aqueous chemical processes occurring in cloud droplets and wet atmospheric particles are an important source of organic atmospheric particulate matter. Reactions of water-soluble volatile (or semivolatile) organic gases (VOCs or SVOCs) in these aqueous media lead to the formation of highly oxidized organic particulate matter (secondary organic aerosol; SOA) and key tracer species, such as organosulfates. These processes are often driven by a combination of anthropogenic and biogenic emissions, and therefore their accurate representation in models is important for effective air quality management. Despite considerable progress, mechanistic understanding of some key aqueous processes is still lacking, and these pathways are incompletely represented in 3D atmospheric chemistry and air quality models. In this article, the concepts, historical context, and current state of the science of aqueous pathways of SOA formation are discussed.

  15. Global 3-D modeling of atmospheric ozone in the free troposphere and the stratosphere with emphasis on midlatitude regions. Final report

    SciTech Connect

    Brasseur, G.; Tie, X.; Walters, S.

    1999-03-01

    The authors have used several global chemical/transport models (1) to study the contribution of various physical, chemical, and dynamical processes to the budget of mid-latitude ozone in the stratosphere and troposphere; (2) to analyze the potential mechanisms which are responsible for the observed ozone perturbations at mid-latitudes of the lower stratosphere and in the upper troposphere; (3) to calculate potential changes in atmospheric ozone response to anthropogenic changes (e.g., emission of industrially manufactured CFCs, CO, and NO{sub x}) and to natural perturbations (e.g., volcanic eruptions and biomass burning); and (4) to estimate the impact of these changes on the radiative forcing to the climate system and on the level of UV-B radiation at the surface.

  16. CHEMICAL ANALYSIS METHODS FOR ATMOSPHERIC AEROSOL COMPONENTS

    EPA Science Inventory

    This chapter surveys the analytical techniques used to determine the concentrations of aerosol mass and its chemical components. The techniques surveyed include mass, major ions (sulfate, nitrate, ammonium), organic carbon, elemental carbon, and trace elements. As reported in...

  17. Polar Ozone Loss Rates: Comparison Of Match Observations With Simulations Of 3-D Chemical Transport Model And Box Model

    NASA Astrophysics Data System (ADS)

    Tripathi, O. P.; Godin-Beekmann, S.; Lefevre, F.; Marchand, M.; Pazmino, A.; Hauchecorne, A.

    2005-12-01

    Model simulations of ozone loss rates during recent arctic and Antarctic winters are compared with the observed ozone loss rates from the match technique. Arctic winters 1994/1995, 1999/2000, 2002/2003 and the Antarctic winter 2003 were considered for the analysis. We use a high resolution chemical transport model MIMOSA-CHIM and REPROBUS box model for the calculation of ozone loss rates. Trajectory model calculations show that the ozone loss rates are dependent on the initialization fields. On the one hand when chemical fields are initialized by UCAM (University of Cambridge SLIMCAT model simulated fields) the loss rates were underestimated by a factor of two whereas on the other hand when it is initialized by UL (University of Leeds) fields the model loss rates are in a very good agreement with match loss rates at lower levels. The study shows a very good agreement between MIMOSA-CHIM simulation and match observation in 1999/2000 winter at both levels, 450 and 500 K, except slight underestimation in March at 500 K. But in January we have a very good agreement. This is also true for 1994/1995 when we consider simulated ozone loss rate in view of the ECMWF wind deficiency assuming that match observations were not made on isolated trajectories. Sensitivity tests, by changing JCl2O2 value, particle number density and heating rates, performed for the arctic winter 1999/2000 shows that we need to improve our understanding of particle number density and heating rate calculation mechanism. Burkholder JCl2O2 has improved the comparison of MIMOSA-CHIM model results with observations (Tripathi et al., 2005). In the same study the comparison results were shown to improved by changing heating rates and number density through NAT particle sedimentation.

  18. Evolution of chemical bonding and electron density rearrangements during D(3h) → D(3d) reaction in monolayered TiS2: a QTAIM and ELF study.

    PubMed

    Ryzhikov, Maxim R; Slepkov, Vladimir A; Kozlova, Svetlana G; Gabuda, Svyatoslav P

    2014-08-15

    Monolayered titanium disulfide TiS2, a prospective nanoelectronic material, was previously shown to be subject to an exothermic solid-state D3h -D3d reaction that proceeds via a newly discovered transition state. Here, we study the reaction in detail using topological methods of quantum chemistry (quantum theory of atoms in molecules and electron localization function analysis) and show how electron density and chemical bonding between the atoms change in the course of the reaction. The reaction is shown to undergo a series of topological catastrophes, associated with elementary chemical events such as break and formation of bonds (including the unexpected formation of S-S bonding between sulfur layers), and rearrangement of electron density of outer valence and core shells.

  19. New directions: Atmospheric chemical mechanisms for the future

    EPA Science Inventory

    The chemical reaction scheme or mechanism used to represent atmospheric chemical reactions is at the heart of each air quality model used in research and policy applications to predict and analyse the complex air pollutants: ozone, air toxics and PM2.5. This is necessarily only a...

  20. Alginate based 3D hydrogels as an in vitro co-culture model platform for the toxicity screening of new chemical entities

    SciTech Connect

    Lan, Shih-Feng; Starly, Binil

    2011-10-01

    Prediction of human response to potential therapeutic drugs is through conventional methods of in vitro cell culture assays and expensive in vivo animal testing. Alternatives to animal testing require sophisticated in vitro model systems that must replicate in vivo like function for reliable testing applications. Advancements in biomaterials have enabled the development of three-dimensional (3D) cell encapsulated hydrogels as in vitro drug screening tissue model systems. In this study, we have developed an in vitro platform to enable high density 3D culture of liver cells combined with a monolayer growth of target breast cancer cell line (MCF-7) in a static environment as a representative example of screening drug compounds for hepatotoxicity and drug efficacy. Alginate hydrogels encapsulated with serial cell densities of HepG2 cells (10{sup 5}-10{sup 8} cells/ml) are supported by a porous poly-carbonate disc platform and co-cultured with MCF-7 cells within standard cell culture plates during a 3 day study period. The clearance rates of drug transformation by HepG2 cells are measured using a coumarin based pro-drug. The platform was used to test for HepG2 cytotoxicity 50% (CT{sub 50}) using commercially available drugs which further correlated well with published in vivo LD{sub 50} values. The developed test platform allowed us to evaluate drug dose concentrations to predict hepatotoxicity and its effect on the target cells. The in vitro 3D co-culture platform provides a scalable and flexible approach to test multiple-cell types in a hybrid setting within standard cell culture plates which may open up novel 3D in vitro culture techniques to screen new chemical entity compounds. - Graphical abstract: Display Omitted Highlights: > A porous support disc design to support the culture of desired cells in 3D hydrogels. > Demonstrated the co-culture of two cell types within standard cell-culture plates. > A scalable, low cost approach to toxicity screening involving

  1. The chemical composition of animal cells reconstructed from 2D and 3D ToF-SIMS analysis

    NASA Astrophysics Data System (ADS)

    Breitenstein, D.; Rommel, C. E.; Stolwijk, J.; Wegener, J.; Hagenhoff, B.

    2008-12-01

    This paper gives an overview on the progress achieved in our lab within the last two years in the analysis of single cells and tissue-like cell layers by time-of-flight secondary ion mass spectrometry (ToF-SIMS). Basically two types of investigations were performed: on the one hand a two-dimensional imaging and on the other hand a three-dimensional microarea analysis. In both cases chemical fixation in combination with slow air-drying were used as easy sample preparation method. It was the goal of both approaches to identify the distribution of natural components as well as the localisation of xenobiotic fluorophors. In our experimental set-ups the distribution of phophatidylcholine and amino-acid signals were in line with the expectation. In contrast, the distribution of the fluorophor ethidiumhomodimer could only be detected within the two-dimensional imaging, whereas it was not detected in the three-dimensional analysis. Also four other fluorophors failed in the latter approach. Thus, in our hands the three-dimensional detection is to date limited to certain molecules with a comparably low mass and/or an intrinsical charge.

  2. Controlled 3D Assembly of Graphene Sheets to Build Conductive, Chemically Selective and Shape-Responsive Materials.

    PubMed

    Woltornist, Steven J; Varghese, Deepthi; Massucci, Daniel; Cao, Zhen; Dobrynin, Andrey V; Adamson, Douglas H

    2017-03-06

    Driven by the surface activity of graphene, electrically conductive elastomeric foams have been synthesized by the controlled reassembly of graphene sheets; from their initial stacked morphology, as found in graphite, to a percolating network of exfoliated sheets, defining hollow spheres. This network creates a template for the formation of composite foams, whose swelling behavior is sensitive to the composition of the solvent, and whose electrical resistance is sensitive to physical deformation. The self-assembly of graphene sheets is driven thermodynamically, as graphite is found to act as a 2D surfactant and is spread at high-energy interfaces. This spreading, or exfoliation, of graphite at an oil/water interface stabilizes water-in-oil emulsions, without the need for added surfactants or chemical modification of the graphene. Using a monomer such as butyl acrylate for the emulsion's oil phase, elastomeric foams are created by polymerizing the continuous oil phase. Removal of the aqueous phase then results in robust, conductive, porous, and inexpensive composites, with potential applications in energy storage, filtration, and sensing.

  3. Chemical processes in Triton's atmosphere and surface

    NASA Technical Reports Server (NTRS)

    Delitsky, M. L.; Thompson, W. R.

    1987-01-01

    The Neptune moon Triton may have an appreciable atmosphere; the preliminary calculations of Delitsky (1983) have suggested that there should be a significant resultant chemistry in a possible N2 ocean with dissolved CH4, given charged-particle radiolysis of gaseous mixtures and gamma radiolysis of N2-CH4 solutions. The latter will yield substantial quantities of organic products which will be partially soluble in any N2-CH4 liquid present. Attention is presently given to the energy sources available for Triton, in order to estimate rates of synthesis and ascertain the possible history of such simple and complex organic products on Triton's surface.

  4. Tropospheric Airborne Meteorological Data Reporting (TAMDAR) Sensor Validation and Verification on National Oceanographic and Atmospheric Administration (NOAA) Lockheed WP-3D Aircraft

    NASA Technical Reports Server (NTRS)

    Tsoucalas, George; Daniels, Taumi S.; Zysko, Jan; Anderson, Mark V.; Mulally, Daniel J.

    2010-01-01

    As part of the National Aeronautics and Space Administration's Aviation Safety and Security Program, the Tropospheric Airborne Meteorological Data Reporting project (TAMDAR) developed a low-cost sensor for aircraft flying in the lower troposphere. This activity was a joint effort with support from Federal Aviation Administration, National Oceanic and Atmospheric Administration, and industry. This paper reports the TAMDAR sensor performance validation and verification, as flown on board NOAA Lockheed WP-3D aircraft. These flight tests were conducted to assess the performance of the TAMDAR sensor for measurements of temperature, relative humidity, and wind parameters. The ultimate goal was to develop a small low-cost sensor, collect useful meteorological data, downlink the data in near real time, and use the data to improve weather forecasts. The envisioned system will initially be used on regional and package carrier aircraft. The ultimate users of the data are National Centers for Environmental Prediction forecast modelers. Other users include air traffic controllers, flight service stations, and airline weather centers. NASA worked with an industry partner to develop the sensor. Prototype sensors were subjected to numerous tests in ground and flight facilities. As a result of these earlier tests, many design improvements were made to the sensor. The results of tests on a final version of the sensor are the subject of this report. The sensor is capable of measuring temperature, relative humidity, pressure, and icing. It can compute pressure altitude, indicated air speed, true air speed, ice presence, wind speed and direction, and eddy dissipation rate. Summary results from the flight test are presented along with corroborative data from aircraft instruments.

  5. Proton-detected 3D (15)N/(1)H/(1)H isotropic/anisotropic/isotropic chemical shift correlation solid-state NMR at 70kHz MAS.

    PubMed

    Pandey, Manoj Kumar; Yarava, Jayasubba Reddy; Zhang, Rongchun; Ramamoorthy, Ayyalusamy; Nishiyama, Yusuke

    2016-01-01

    Chemical shift anisotropy (CSA) tensors offer a wealth of information for structural and dynamics studies of a variety of chemical and biological systems. In particular, CSA of amide protons can provide piercing insights into hydrogen-bonding interactions that vary with the backbone conformation of a protein and dynamics. However, the narrow span of amide proton resonances makes it very difficult to measure (1)H CSAs of proteins even by using the recently proposed 2D (1)H/(1)H anisotropic/isotropic chemical shift (CSA/CS) correlation technique. Such difficulties due to overlapping proton resonances can in general be overcome by utilizing the broad span of isotropic chemical shifts of low-gamma nuclei like (15)N. In this context, we demonstrate a proton-detected 3D (15)N/(1)H/(1)H CS/CSA/CS correlation experiment at fast MAS frequency (70kHz) to measure (1)H CSA values of unresolved amide protons of N-acetyl-(15)N-l-valyl-(15)N-l-leucine (NAVL).

  6. Chemical processes in Triton's atmosphere and surface

    SciTech Connect

    Delitsky, M.L.; Thompson, W.R.

    1987-05-01

    The Neptune moon Triton may have an appreciable atmosphere; the preliminary calculations of Delitsky (1983) have suggested that there should be a significant resultant chemistry in a possible N/sub 2/ ocean with dissolved CH/sub 4/, given charged-particle radiolysis of gaseous mixtures and gamma radiolysis of N/sub 2/-CH/sub 4/ solutions. The latter will yield substantial quantities of organic products which will be partially soluble in any N/sub 2/-CH/sub 4/ liquid present. Attention is presently given to the energy sources available for Triton, in order to estimate rates of synthesis and ascertain the possible history of such simple and complex organic products on Triton's surface. 54 references.

  7. Atmospheric Transport and Deposition of Agricultural Chemicals

    NASA Astrophysics Data System (ADS)

    Majewski, M. S.; Vogel, J. R.; Capel, P. D.

    2006-05-01

    Concentrations of more than 80 pesticides and select transformation products were measured in atmospheric deposition during two growing seasons in five agricultural areas across the United States. Rainfall samples were collected at study areas in California, Indiana, Maryland, and Nebraska. In the arid Yakima Valley of Washington, dry deposition for the same compounds was estimated using air concentration measurements and depositional models. In the predominantly corn, soybean, and alfalfa growing region of Nebraska, Indiana, and Maryland, the herbicides acetochlor, alachlor, atrazine, and metolachlor where the predominant pesticides detected, and the highest concentrations ranged from 0.64 microgram per liter (ug/L) for metolachlor in a small, predominantly dairy use dominated watershed in Maryland to 6.6 ug/L and 19 ug/L for atrazine in Indiana and Nebraska, respectively. California showed a different seasonal occurrence pattern and suite of detected pesticides because the rainy season occurs during the winter months and a wide variety of crops are grown throughout the year. With the exception of metolachlor (0.23 ug/L, max.), the corn and soybean herbicides were not used to any great extent in the California study area and were not detected. The insecticides diazinon (1.21 ug/L, max.) and chlorpyrifos (0.12 ug/L, max.) were detected in nearly every sample taken in California. The Washington study area was similar to California in terms of the variety of crops grown and the pesticides use, but it receives very little rainfall. Dry deposition was estimated at this site from air concentrations and particle settling velocities. The results of these studies show the importance of the atmosphere as an additional source of pesticide loading to agricultural watersheds.

  8. Production of Lightning NO(x) and its Vertical Distribution Calculated from 3-D Cloud-scale Chemical Transport Model Simulations

    NASA Technical Reports Server (NTRS)

    Ott, Lesley; Pickering, Kenneth; Stenchikov, Georgiy; Allen, Dale; DeCaria, Alex; Ridley, Brian; Lin, Ruei-Fong; Lang, Steve; Tao, Wei-Kuo

    2009-01-01

    A 3-D cloud scale chemical transport model that includes a parameterized source of lightning NO(x), based on observed flash rates has been used to simulate six midlatitude and subtropical thunderstorms observed during four field projects. Production per intracloud (P(sub IC) and cloud-to-ground (P(sub CG)) flash is estimated by assuming various values of P(sub IC) and P(sub CG) for each storm and determining which production scenario yields NO(x) mixing ratios that compare most favorably with in-cloud aircraft observations. We obtain a mean P(sub CG) value of 500 moles NO (7 kg N) per flash. The results of this analysis also suggest that on average, P(sub IC) may be nearly equal to P(sub CG), which is contrary to the common assumption that intracloud flashes are significantly less productive of NO than are cloud-to-ground flashes. This study also presents vertical profiles of the mass of lightning NO(x), after convection based on 3-D cloud-scale model simulations. The results suggest that following convection, a large percentage of lightning NO(x), remains in the middle and upper troposphere where it originated, while only a small percentage is found near the surface. The results of this work differ from profiles calculated from 2-D cloud-scale model simulations with a simpler lightning parameterization that were peaked near the surface and in the upper troposphere (referred to as a "C-shaped" profile). The new model results (a backward C-shaped profile) suggest that chemical transport models that assume a C-shaped vertical profile of lightning NO(x) mass may place too much mass neat the surface and too little in the middle troposphere.

  9. Radiolytic Model for Chemical Composition of Europa's Atmosphere and Surface

    NASA Technical Reports Server (NTRS)

    Cooper, John F.

    2004-01-01

    The overall objective of the present effort is to produce models for major and selected minor components of Europa s neutral atmosphere in 1-D versus altitude and in 2-D versus altitude and longitude or latitude. A 3-D model versus all three coordinates (alt, long, lat) will be studied but development on this is at present limited by computing facilities available to the investigation team. In this first year we have focused on 1-D modeling with Co-I Valery Shematovich s Direct Simulation Monte Carlo (DSMC) code for water group species (H2O, O2, O, OH) and on 2-D with Co-I Mau Wong's version of a similar code for O2, O, CO, CO2, and Na. Surface source rates of H2O and O2 from sputtering and radiolysis are used in the 1-D model, while observations for CO2 at the Europa surface and Na detected in a neutral cloud ejected from Europa are used, along with the O2 sputtering rate, to constrain source rates in the 2-D version. With these separate approaches we are investigating a range of processes important to eventual implementation of a comprehensive 3-D atmospheric model which could be used to understand present observations and develop science requirements for future observations, e.g. from Earth and in Europa orbit. Within the second year we expect to merge the full water group calculations into the 2-D version of the DSMC code which can then be extended to 3-D, pending availability of computing resources. Another important goal in the second year would be the inclusion of sulk and its more volatile oxides (SO, SO2).

  10. Quantification of Trace Chemicals Using Vehicle Cabin Atmosphere Monitor

    NASA Technical Reports Server (NTRS)

    Lee, Seungwon; Mandrake, Lukas; Bornstein, Benjamin; Bue, Brian

    2009-01-01

    A system to monitor the concentrations of trace chemicals in cabin atmosphere is one of the most critical components in long-duration human flight missions. The Vehicle Cabin Atmosphere Monitor (VCAM) is a miniature gas chromatograph mass spectrometer system to be used to detect and quantify trace chemicals in the International Space Station. We developed an autonomous computational process to quantify trace chemicals for use in VCAM. The process involves the design of a measured signal quantification scheme, the construction of concentration curves (i.e. the relationship between concentration and ion count measured by VCAM), the decision rule of applying high- or low-gain concentration curves, and the detection of saturation, low-signals, and outliers. When the developed quantification process is applied, the average errors of concentration for most of trace chemicals are found to be between 14% and 66%.

  11. Europeana and 3D

    NASA Astrophysics Data System (ADS)

    Pletinckx, D.

    2011-09-01

    The current 3D hype creates a lot of interest in 3D. People go to 3D movies, but are we ready to use 3D in our homes, in our offices, in our communication? Are we ready to deliver real 3D to a general public and use interactive 3D in a meaningful way to enjoy, learn, communicate? The CARARE project is realising this for the moment in the domain of monuments and archaeology, so that real 3D of archaeological sites and European monuments will be available to the general public by 2012. There are several aspects to this endeavour. First of all is the technical aspect of flawlessly delivering 3D content over all platforms and operating systems, without installing software. We have currently a working solution in PDF, but HTML5 will probably be the future. Secondly, there is still little knowledge on how to create 3D learning objects, 3D tourist information or 3D scholarly communication. We are still in a prototype phase when it comes to integrate 3D objects in physical or virtual museums. Nevertheless, Europeana has a tremendous potential as a multi-facetted virtual museum. Finally, 3D has a large potential to act as a hub of information, linking to related 2D imagery, texts, video, sound. We describe how to create such rich, explorable 3D objects that can be used intuitively by the generic Europeana user and what metadata is needed to support the semantic linking.

  12. New directions: Atmospheric chemical mechanisms for the future

    NASA Astrophysics Data System (ADS)

    Kaduwela, Ajith; Luecken, Deborah; Carter, William; Derwent, Richard

    2015-12-01

    The atmospheric chemical reaction scheme, commonly referred to as the chemical mechanism, is the portion of an air quality model that represents the atmospheric chemistry of the pollutants. It is at the heart of every air quality model used in research and policy applications to predict and analyse the complex air pollutants: ozone, air toxics and PM2.5. The chemical mechanism should incorporate available information on chemical kinetics and reaction pathways and be the conduit through which the fundamental science of atmospheric chemistry is applied to solve real-world problems. The efficiency and effectiveness of policies developed to reduce exposure to harmful pollutants depend on how well the mechanisms reflect the actual chemistry. If the mechanism has reaction pathways that are incorrectly characterised or completely missing, the resulting predictions may underestimate emission reduction requirements needed to meet public health and ecosystem protection targets, or may overstate the emission reductions needed and cause unnecessary implementation costs. It is therefore essential that mechanisms utilise the best, most up-to-date atmospheric chemistry information available so that policy development is based on air quality model predictions that are robust, transparent and free from scientific challenge. We are concerned that this may not continue to be the case.

  13. Wet precipitation scavenging of soluble atmospheric trace gases due to chemical absorption in inhomogeneous atmosphere

    NASA Astrophysics Data System (ADS)

    Elperin, Tov; Fominykh, Andrew; Krasovitov, Boris

    2016-04-01

    We analyze the effects of irreversible chemical reactions of the first and higher orders and aqueous-phase dissociation reactions on the rate of trace gas scavenging by rain in the atmosphere with non-uniform concentration and temperature. We employ an one-dimensional model of precipitation scavenging of chemically active soluble gaseous pollutants that is valid for small gradients of temperature and concentration in the atmosphere. It is demonstrated that transient altitudinal distribution of concentration under the influence of rain is determined by the partial hyperbolic differential equation of the first order. Scavenging coefficients are calculated for wet removal of chlorine, nitrogen dioxide and sulfur dioxide for the exponential and linear initial altitudinal distributions of trace gases concentration in the atmosphere and linear and uniform altitudinal temperature distributions. Theoretical predictions of the dependence of the magnitude of the scavenging coefficient on rain intensity for sulfur dioxide are in a good agreement with the available atmospheric measurements.

  14. Wet precipitation scavenging of soluble atmospheric trace gases due to chemical absorption in inhomogeneous atmosphere

    NASA Astrophysics Data System (ADS)

    Elperin, Tov; Fominykh, Andrew; Krasovitov, Boris

    2017-02-01

    We analyze the effects of irreversible chemical reactions of the first and higher orders and aqueous-phase dissociation reactions on the rate of trace gas scavenging by rain in the atmosphere with non-uniform concentration and temperature. We employ an one-dimensional model of precipitation scavenging of chemically active soluble gaseous pollutants that is valid for small gradients of temperature and concentration in the atmosphere. It is demonstrated that transient altitudinal distribution of concentration under the influence of rain is determined by the partial hyperbolic differential equation of the first order. Scavenging coefficients are calculated for wet removal of chlorine, nitrogen dioxide and sulfur dioxide for the exponential and linear initial altitudinal distributions of trace gases concentration in the atmosphere and linear and uniform altitudinal temperature distributions. Theoretical predictions of the dependence of the magnitude of the scavenging coefficient on rain intensity for sulfur dioxide are in a good agreement with the available atmospheric measurements.

  15. 3d-3d correspondence revisited

    DOE PAGES

    Chung, Hee -Joong; Dimofte, Tudor; Gukov, Sergei; ...

    2016-04-21

    In fivebrane compactifications on 3-manifolds, we point out the importance of all flat connections in the proper definition of the effective 3d N = 2 theory. The Lagrangians of some theories with the desired properties can be constructed with the help of homological knot invariants that categorify colored Jones polynomials. Higgsing the full 3d theories constructed this way recovers theories found previously by Dimofte-Gaiotto-Gukov. As a result, we also consider the cutting and gluing of 3-manifolds along smooth boundaries and the role played by all flat connections in this operation.

  16. CHEMICAL TIMESCALES IN THE ATMOSPHERES OF HIGHLY ECCENTRIC EXOPLANETS

    SciTech Connect

    Visscher, Channon

    2012-09-20

    Close-in exoplanets with highly eccentric orbits are subject to large variations in incoming stellar flux between periapse and apoapse. These variations may lead to large swings in atmospheric temperature, which in turn may cause changes in the chemistry of the atmosphere from higher CO abundances at periapse to higher CH{sub 4} abundances at apoapse. Here, we examine chemical timescales for CO{r_reversible}CH{sub 4} interconversion compared to orbital timescales and vertical mixing timescales for the highly eccentric exoplanets HAT-P-2b and CoRoT-10b. As exoplanet atmospheres cool, the chemical timescales for CO{r_reversible}CH{sub 4} tend to exceed orbital and/or vertical mixing timescales, leading to quenching. The relative roles of orbit-induced thermal quenching and vertical quenching depend upon mixing timescales relative to orbital timescales. For both HAT-P-2b and CoRoT-10b, vertical quenching will determine disequilibrium CO{r_reversible}CH{sub 4} chemistry at faster vertical mixing rates (K{sub zz} > 10{sup 7} cm{sup 2} s{sup -1}), whereas orbit-induced thermal quenching may play a significant role at slower mixing rates (K{sub zz} < 10{sup 7} cm{sup 2} s{sup -1}). The general abundance and chemical timescale results-calculated as a function of pressure, temperature, and metallicity-can be applied for different atmospheric profiles in order to estimate the quench level and disequilibrium abundances of CO and CH{sub 4} on hydrogen-dominated exoplanets. Observations of CO and CH{sub 4} on highly eccentric exoplanets may yield important clues to the chemical and dynamical properties of their atmospheres.

  17. Clouds Composition in Super-Earth Atmospheres: Chemical Equilibrium Calculations

    NASA Astrophysics Data System (ADS)

    Kempton, Eliza M.-R.; Mbarek, Rostom

    2015-12-01

    Attempts to determine the composition of super-Earth atmospheres have so far been plagued by the presence of clouds. Yet the theoretical framework to understand these clouds is still in its infancy. For the super-Earth archetype GJ 1214b, KCl, Na2S, and ZnS have been proposed as condensates that would form under the condition of chemical equilibrium, if the planet’s atmosphere has a bulk composition near solar. Condensation chemistry calculations have not been presented for a wider range of atmospheric bulk composition that is to be expected for super-Earth exoplanets. Here we provide a theoretical context for the formation of super-Earth clouds in atmospheres of varied composition by determining which condensates are likely to form, under the assumption of chemical equilibrium. We model super-Earth atmospheres assuming they are formed by degassing of volatiles from a solid planetary core of chondritic material. Given the atomic makeup of these atmospheres, we minimize the global Gibbs free energy of over 550 gases and condensates to obtain the molecular composition of the atmospheres over a temperature range of 350-3,000 K. Clouds should form along the temperature-pressure boundaries where the condensed species appear in our calculations. The super-Earth atmospheres that we study range from highly reducing to oxidizing and have carbon to oxygen (C:O) ratios that are both sub-solar and super-solar, thereby spanning a diverse range of atmospheric composition that is appropriate for low-mass exoplanets. Some condensates appear across all of our models. However, the majority of condensed species appear only over specific ranges of H:O and C:O ratios. We find that for GJ 1214b, KCl is the primary cloud-forming condensate at solar composition, in agreement with previous work. However, for oxidizing atmospheres, where H:O is less than unity, K2SO4 clouds form instead. For carbon-rich atmospheres with super-solar C:O ratios, graphite clouds additionally appear. At

  18. Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U(V) method.

    PubMed

    Xu, Zhongnan; Joshi, Yogesh V; Raman, Sumathy; Kitchin, John R

    2015-04-14

    We validate the usage of the calculated, linear response Hubbard U for evaluating accurate electronic and chemical properties of bulk 3d transition metal oxides. We find calculated values of U lead to improved band gaps. For the evaluation of accurate reaction energies, we first identify and eliminate contributions to the reaction energies of bulk systems due only to changes in U and construct a thermodynamic cycle that references the total energies of unique U systems to a common point using a DFT + U(V) method, which we recast from a recently introduced DFT + U(R) method for molecular systems. We then introduce a semi-empirical method based on weighted DFT/DFT + U cohesive energies to calculate bulk oxidation energies of transition metal oxides using density functional theory and linear response calculated U values. We validate this method by calculating 14 reactions energies involving V, Cr, Mn, Fe, and Co oxides. We find up to an 85% reduction of the mean average error (MAE) compared to energies calculated with the Perdew-Burke-Ernzerhof functional. When our method is compared with DFT + U with empirically derived U values and the HSE06 hybrid functional, we find up to 65% and 39% reductions in the MAE, respectively.

  19. Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U(V) method

    SciTech Connect

    Xu, Zhongnan; Kitchin, John R.; Joshi, Yogesh V.; Raman, Sumathy

    2015-04-14

    We validate the usage of the calculated, linear response Hubbard U for evaluating accurate electronic and chemical properties of bulk 3d transition metal oxides. We find calculated values of U lead to improved band gaps. For the evaluation of accurate reaction energies, we first identify and eliminate contributions to the reaction energies of bulk systems due only to changes in U and construct a thermodynamic cycle that references the total energies of unique U systems to a common point using a DFT + U(V ) method, which we recast from a recently introduced DFT + U(R) method for molecular systems. We then introduce a semi-empirical method based on weighted DFT/DFT + U cohesive energies to calculate bulk oxidation energies of transition metal oxides using density functional theory and linear response calculated U values. We validate this method by calculating 14 reactions energies involving V, Cr, Mn, Fe, and Co oxides. We find up to an 85% reduction of the mean average error (MAE) compared to energies calculated with the Perdew-Burke-Ernzerhof functional. When our method is compared with DFT + U with empirically derived U values and the HSE06 hybrid functional, we find up to 65% and 39% reductions in the MAE, respectively.

  20. 3D and Education

    NASA Astrophysics Data System (ADS)

    Meulien Ohlmann, Odile

    2013-02-01

    Today the industry offers a chain of 3D products. Learning to "read" and to "create in 3D" becomes an issue of education of primary importance. 25 years professional experience in France, the United States and Germany, Odile Meulien set up a personal method of initiation to 3D creation that entails the spatial/temporal experience of the holographic visual. She will present some different tools and techniques used for this learning, their advantages and disadvantages, programs and issues of educational policies, constraints and expectations related to the development of new techniques for 3D imaging. Although the creation of display holograms is very much reduced compared to the creation of the 90ies, the holographic concept is spreading in all scientific, social, and artistic activities of our present time. She will also raise many questions: What means 3D? Is it communication? Is it perception? How the seeing and none seeing is interferes? What else has to be taken in consideration to communicate in 3D? How to handle the non visible relations of moving objects with subjects? Does this transform our model of exchange with others? What kind of interaction this has with our everyday life? Then come more practical questions: How to learn creating 3D visualization, to learn 3D grammar, 3D language, 3D thinking? What for? At what level? In which matter? for whom?

  1. An adaptive reduction algorithm for efficient chemical calculations in global atmospheric chemistry models

    NASA Astrophysics Data System (ADS)

    Santillana, Mauricio; Le Sager, Philippe; Jacob, Daniel J.; Brenner, Michael P.

    2010-11-01

    We present a computationally efficient adaptive method for calculating the time evolution of the concentrations of chemical species in global 3-D models of atmospheric chemistry. Our strategy consists of partitioning the computational domain into fast and slow regions for each chemical species at every time step. In each grid box, we group the fast species and solve for their concentration in a coupled fashion. Concentrations of the slow species are calculated using a simple semi-implicit formula. Separation of species between fast and slow is done on the fly based on their local production and loss rates. This allows for example to exclude short-lived volatile organic compounds (VOCs) and their oxidation products from chemical calculations in the remote troposphere where their concentrations are negligible, letting the simulation determine the exclusion domain and allowing species to drop out individually from the coupled chemical calculation as their production/loss rates decline. We applied our method to a 1-year simulation of global tropospheric ozone-NO x-VOC-aerosol chemistry using the GEOS-Chem model. Results show a 50% improvement in computational performance for the chemical solver, with no significant added error.

  2. Clouds in Super-Earth Atmospheres: Chemical Equilibrium Calculations

    NASA Astrophysics Data System (ADS)

    Mbarek, Rostom; Kempton, Eliza M.-R.

    2016-08-01

    Recent studies have unequivocally proven the existence of clouds in super-Earth atmospheres. Here we provide a theoretical context for the formation of super-Earth clouds by determining which condensates are likely to form under the assumption of chemical equilibrium. We study super-Earth atmospheres of diverse bulk composition, which are assumed to form by outgassing from a solid core of chondritic material, following Schaefer & Fegley. The super-Earth atmospheres that we study arise from planetary cores made up of individual types of chondritic meteorites. They range from highly reducing to oxidizing and have carbon to oxygen (C:O) ratios that are both sub-solar and super-solar, thereby spanning a range of atmospheric composition that is appropriate for low-mass exoplanets. Given the atomic makeup of these atmospheres, we minimize the global Gibbs free energy of formation for over 550 gases and condensates to obtain the molecular composition of the atmospheres over a temperature range of 350-3000 K. Clouds should form along the temperature-pressure boundaries where the condensed species appear in our calculation. We find that the composition of condensate clouds depends strongly on both the H:O and C:O ratios. For the super-Earth archetype GJ 1214b, KCl and ZnS are the primary cloud-forming condensates at solar composition, in agreement with previous work. However, for oxidizing atmospheres, K2SO4 and ZnO condensates are favored instead, and for carbon-rich atmospheres with super-solar C:O ratios, graphite clouds appear. For even hotter planets, clouds form from a wide variety of rock-forming and metallic species.

  3. Laboratory Studies of Heterogeneous Chemical Processes of Atmospheric Importance

    NASA Technical Reports Server (NTRS)

    Molina, Mario J.

    2004-01-01

    The objective of this study is to conduct measurements of chemical kinetics parameters for heterogeneous reactions of importance in the stratosphere and the troposphere. It involves the elucidation of the mechanism of the interaction of HCl vapor with ice surfaces, which is the first step in the heterogeneous chlorine activation processes, as well as the investigation of the atmospheric oxidation mechanism of soot particles emitted by biomass and fossil fuels. The techniques being employed include turbulent flow-chemical ionization mass spectrometry and optical ellipsometry, among others.

  4. Chemical models of the deep atmospheres of Jupiter and Saturn

    NASA Technical Reports Server (NTRS)

    Fegley, Bruce, Jr.; Lodders, Katharina

    1994-01-01

    New and updated chemical kinetic data, elemental abundances, and thermodynamic data are used for thermochemical equilibrium and, where relevant, thermochemical kinetic calculations of gas abundances and condensate stability in the hot, deep atmospheres of Jupiter and Saturn. Over 2000 compounds of all naturally occurring elements in the periodic table are considered. The calculations range from 298 to 2000 K and are done for adiabatic models of the two planetary atmospheres. The results predict the abundances of many gases which are potentially observable by the Galileo probe to Jupiter, by the Cassini mission to Saturn, and by Earth-based and Earth-orbital telescopes. In addition, the results also predict many new species which are potentially observable by a new generation of entry probes capable of penetrating deeper into the atmospheres of Jupiter and Saturn.

  5. Three-dimensional mapping of soil chemical characteristics at micrometric scale: Statistical prediction by combining 2D SEM-EDX data and 3D X-ray computed micro-tomographic images

    NASA Astrophysics Data System (ADS)

    Hapca, Simona

    2015-04-01

    Many soil properties and functions emerge from interactions of physical, chemical and biological processes at microscopic scales, which can be understood only by integrating techniques that traditionally are developed within separate disciplines. While recent advances in imaging techniques, such as X-ray computed tomography (X-ray CT), offer the possibility to reconstruct the 3D physical structure at fine resolutions, for the distribution of chemicals in soil, existing methods, based on scanning electron microscope (SEM) and energy dispersive X-ray detection (EDX), allow for characterization of the chemical composition only on 2D surfaces. At present, direct 3D measurement techniques are still lacking, sequential sectioning of soils, followed by 2D mapping of chemical elements and interpolation to 3D, being an alternative which is explored in this study. Specifically, we develop an integrated experimental and theoretical framework which combines 3D X-ray CT imaging technique with 2D SEM-EDX and use spatial statistics methods to map the chemical composition of soil in 3D. The procedure involves three stages 1) scanning a resin impregnated soil cube by X-ray CT, followed by precision cutting to produce parallel thin slices, the surfaces of which are scanned by SEM-EDX, 2) alignment of the 2D chemical maps within the internal 3D structure of the soil cube, and 3) development, of spatial statistics methods to predict the chemical composition of 3D soil based on the observed 2D chemical and 3D physical data. Specifically, three statistical models consisting of a regression tree, a regression tree kriging and cokriging model were used to predict the 3D spatial distribution of carbon, silicon, iron and oxygen in soil, these chemical elements showing a good spatial agreement between the X-ray grayscale intensities and the corresponding 2D SEM-EDX data. Due to the spatial correlation between the physical and chemical data, the regression-tree model showed a great potential

  6. Decomposition of Chemical Chain Molecules with Atmospheric Pressure Plasma

    NASA Astrophysics Data System (ADS)

    Tansli, Murat; Tasal, Erol

    2016-10-01

    Chemical chain molecules' decomposition is an interesting subject area for the atmospheric pressure plasma applications. The effects of the atmospheric pressure argon plasma on 4-((2-methoxyphenyl)Diazenyl)Benzene-1,3,-Diol molecule at room temperature are investigated. This molecule is one of the industrial dye molecules used widely. When considering the ecological life, this molecule will be very harmful and danger. We suggest a different, easy and useful decomposing method for such molecules. Atmospheric pressure plasma jet was principally treated for this decomposing of the molecule. Fourier transform infrared spectrometry (FT-IR) was used to characterization of the molecule after the plasma application to molecule in liquid phase with ethanol and methanol solvents. The atmospheric-pressure plasma jet of argon (Ar) as non-equilibrium has been formed by ac-power generator with frequency - 24 kHz and voltage - 12 kV. Characterizations for solutions prepared with ethanol and methanol solvents of molecule have been examined after applying (duration: 3 minutes) the atmospheric pressure plasma jet. The molecule was broken at 6C-7N =8N-9C stretching peak after the plasma treatment. The new plasma photo-products for ethanol and methanol solutions were produced as 6C-7N-8N =9C (strong, varying) and 12C =17O (strong, wide) stretching peaks.

  7. Solar wind interaction with Mars' upper atmosphere: Results from 3-D studies using one-way coupling between the Multi-fluid MHD, the M-GITM and the AMPS models

    NASA Astrophysics Data System (ADS)

    Dong, C.; Bougher, S. W.; Ma, Y.; Toth, G.; Lee, Y.; Nagy, A. F.; Tenishev, V.; Pawlowski, D. J.; Meng, X.; Combi, M. R.

    2013-12-01

    The study of the solar wind interaction with Mars upper atmosphere/ionosphere has triggered a great of interest in recent years. Among the large number of topics in this research area, the investigation of ion escape fluxes has become increasingly important due to its potential impact on the long-term evolution of Mars atmosphere (e.g., loss of water) over its history. In the present work, we adopt the 3-D Mars cold neutral atmosphere profiles (0~300 km) from the newly developed and validated Mars Global Ionosphere Thermosphere Model (M-GITM) and the 3-D hot oxygen profiles (100km~5RM) from the exosphere Monte Carlo model Adaptive Mesh Particle Simulator (AMPS). We apply these 3-D model outputs fields into the 3-D BATS-R-US Mars multi-fluid MHD model (100km~20RM) that can better simulate the interplay between Mars upper atmosphere and solar wind by considering the dynamics of individual ion species. The multi-fluid model solves separate continuity, momentum and energy equations for each ion species (H+, O+, O2+, CO2+). The M-GITM model together with the AMPS exosphere model take into account the effects of solar cycle and seasonal variations on both cold and hot neutral atmospheres, allowing us to investigate the corresponding effects on the Mars upper atmosphere ion escape by using a one-way coupling approach, i.e., both the M-GITM and AMPS model outputs are used as the inputs for the multi-fluid model and M-GITM is used as input into the AMPS exosphere model. The calculations are carried out for selected cases with different nominal solar wind, solar cycle and crustal field orientation conditions. This work has the potential to provide predictions of ion escape rates for comparison to future data to be returned by the MAVEN primary mission (2014-2016) and thereby improve our understanding of present day escape processes. Acknowledgments: The work presented here was supported by NASA grants NNH10CC04C, NNX09AL26G, NSF grant ATM-0535811.

  8. Electron Spectroscopy for Chemical Analysis (ESCA) study of atmospheric particles

    NASA Technical Reports Server (NTRS)

    Dillard, J. G.; Seals, R. D.; Wightman, J. P.

    1979-01-01

    The results of analyses by ESCA (Electron Spectroscopy for Chemical Analysis) on several Nuclepore filters which were exposed during air pollution studies are presented along with correlative measurements by Neutron Activation Analysis and Scanning Electron Microscopy. Samples were exposed during air pollution studies at Norfolk, Virginia and the NASA Kennedy Space Center (KSC). It was demonstrated that with the ESCA technique it was possible to identify the chemical (bonding) state of elements contained in the atmospheric particulate matter collected on Nuclepore filters. Sulfur, nitrogen, mercury, chlorine, alkali, and alkaline earth metal species were identified in the Norfolk samples. ESCA binding energy data for aluminum indicated that three chemically different types of aluminum are present in the launch and background samples from NASA-KSC.

  9. 3D Imaging.

    ERIC Educational Resources Information Center

    Hastings, S. K.

    2002-01-01

    Discusses 3 D imaging as it relates to digital representations in virtual library collections. Highlights include X-ray computed tomography (X-ray CT); the National Science Foundation (NSF) Digital Library Initiatives; output peripherals; image retrieval systems, including metadata; and applications of 3 D imaging for libraries and museums. (LRW)

  10. The composition of Saturn's atmosphere at northern temperate latitudes from Voyager IRIS spectra - NH3, PH3, C2H2, C2H6, CH3D, CH4, and the Saturnian D/H isotopic ratio

    NASA Technical Reports Server (NTRS)

    Courtin, R.; Gautier, D.; Marten, A.; Bezard, B.; Hanel, R.

    1984-01-01

    The vertical distributions and mixing ratios of minor constituents in the northern hemisphere of Saturn are investigated. Results are obtained for NH3, PH3, C2H2, C2H6, CH3D, and CH4; the D/H ratio is obtained from the CH4 and CH3D abundances. The NH3 mixing ratio in the upper atmosphere is found to be compatible with the saturated partial pressure. The inferred PH3/H2 ratio of 1.4 + or - 0.8 x 10 to the -6th is higher than the value derived from the solar P/H ratio. The stratospheric C2H2/H2 and C2H6/H2 ratios are, respectively, 2.1 + or - 1.4 x 10 to the -7th and 3.0 + or - 1.1 x 10 to the -6th; the latter decreases sharply below the 20-50 mbar level. The results for CH3D/H2 and CH4/H2 imply an enrichment of Saturn's upper atmosphere in carbon by a factor of at least three over the solar abundance. The interpretation of two NH3 lines in the five-micron window suggests a NH3/H2 ratio at the two bar level below the solar value.

  11. Unified Ion-chemical Model for the Middle Atmosphere

    NASA Astrophysics Data System (ADS)

    Kamsali, Nagaraja; Kamsali, Nagaraja; Datta, Jayati; Prasad, Bsn

    The importance of ion-chemical model studies in our understanding of middle atmospheric regions needs no special emphasis. Present day knowledge of middle atmosphere (0-100 km) has come from two distinct experimental developments: first, in situ measurements of ion composition by balloons and sounding rockets and second, laboratory investigations on ionchemical reactions of importance at these heights, determination of reaction rate coefficients and their temperature dependence. Model studies act as an interface between these, to generate theoretical estimates of ion composition and their derivatives (e.g. electrical conductivity) by using as input the laboratory data on reaction rate coefficients and the data on neutral species density, ionization flux, temperature etc. Free electrons exist only in the mesosphere. Positive molecular ions dominate the upper mesospheric heights and heavy positive and negative cluster ions appearing at the lower mesospheric heights continue to dominate in strato and troposphere. The equilibrium density of electrons and ionic species is governed by: a) ionization of the atmospheric constituents producing electron-positive ion pair b)gas-phase ion-chemical reactions that convert the electrons and primary positive ions into heavy cluster ions of both polarity c)heterogeneous ion-chemical reactions for producing aerosol ions and d) loss mechanisms for small ions and aerosol ions through recombination of oppositely charged species. Physical entities that control the ion production and loss processes are not the same and vary vastly both in nature and magnitude in the middle atmosphere X-rays, Lymann-alpha and precipitating electrons are the dominant ionizing agents at the mesospheric heights. Cosmic ray ionization that is not so significant in the mesosphere is the sole ionizing agent at stratosphere and troposphere. At the ground level and up to a few tens of meters above the earth's surface, natural radioactivity induced ionization is

  12. Atmospheric chemical composition of the peculiar carbon giant TU Gem

    NASA Astrophysics Data System (ADS)

    Yakovina, L. A.; Polinovskii, G. A.; Pavlenko, Ya. V.; Kuznetsov, M. K.

    2017-01-01

    The evolutionary status of the bright peculiar carbon giant TU Gemis fairly uncertain. The possibility that this is aCH star—aGalactic halo star with characteristic chemical-composition anomalies—is considered. Unfortunately, data on the atmospheric chemical composition of TUGem are relatively few and are ambiguous. The results of an analysis of a moderate-resolution optical and near-infrared spectrum of TU Gem obtained on the 2-m telescope of Terskol Peak Observatory (Northern Caucasus) is presented. The atmospheric parameters of TU Gem T eff = 3100 K, C/O = 1.10, and [N/Fe] = 0.0 for the derived metallicity [Fe/H] = 0.0 are taken from [1]. The abundances of Na, Mg, Ca, Ti, and Cr are estimated to be normal or slightly enhanced, and the lithium abundance is log N(Li) = +0.1. The abundances of s-process elements are substantially enhanced in the atmosphere of TU Gem, namely, [s/Fe] ≈ 2, for both light and heavy s-process elements. The range of uncertainty in [Fe/H] is 0.0-0.3, and the uncertainties in other estimates are Δ[M/Fe]≈ ±0.3 and Δ[ s/Fe] = ±0.5. The results show that TU Gem is an anomalous carbon giant, but not a CH star.

  13. HATS (High Altitude Thermal Sounder): a passive sensor solution to 3D high-resolution mapping of upper atmosphere dynamics (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Gordley, Larry; Marshall, Benjamin T.; Lachance, Richard L.

    2016-10-01

    This presentation introduces a High Altitude Thermal Sensor (HATS) that has the potential to resolve the thermal structure of the upper atmosphere (cloud top to 100km) with both horizontal and vertical resolution of 5-7 km or better. This would allow the complete characterization of the wave structures that carry weather signature from the underlying atmosphere. Using a novel gas correlation technique, an extremely high-resolution spectral scan is accomplished by measuring a Doppler modulated signal as the atmospheric thermal scene passes through the HATS 2D FOV. This high spectral resolution, difficult to impossible to achieve with any other passive technique, enables the separation of radiation emanating at high altitudes from that emanating at low altitudes. A principal component analysis of these modulation signals then exposes the complete thermal structure of the upper atmosphere. We show that nadir sounding from low earth orbit, using various branches of CO2 emission in the 17 to 15 micron region, with sufficient spectral resolution and spectral measurement range, can distinguish thermal energy that peaks at various altitudes. By observing the up-welling atmospheric emission through a low pressure (Doppler broadened) gas cell, as the scene passes through our FOV, a modulation signal is created as the atmospheric emission lines are shifted through the spectral position of the gas cell absorption lines. The modulation signal is shown to be highly correlated to the emission coming from the spectral location of the gas cell lines relative to the atmospheric emission lines. This effectively produces a scan of the atmospheric emission with a Doppler line resolution. Similar to thermal sounding of the troposphere, a principal component analysis of the modulation signal can be used to produce an altitude resolved profile, given a reasonable a priori temperature profile. It is then shown that with the addition of a limb observation with one CO2 broadband channel

  14. Chemically reacting fluid flow in exoplanet and brown dwarf atmospheres

    NASA Astrophysics Data System (ADS)

    Bordwell, Baylee; Brown, Benjamin P.; Oishi, Jeffrey S.

    2016-11-01

    In the past few decades, spectral observations of planets and brown dwarfs have demonstrated significant deviations from predictions in certain chemical abundances. Starting with Jupiter, these deviations were successfully explained to be the effect of fast dynamics on comparatively slow chemical reactions. These dynamical effects are treated using mixing length theory in what is known as the "quench" approximation. In these objects, however, both radiative and convective zones are present, and it is not clear that this approximation applies. To resolve this issue, we solve the fully compressible equations of fluid dynamics in a matched polytropic atmosphere using the state-of-the-art pseudospectral simulation framework Dedalus. Through the inclusion of passive tracers, we explore the transport properties of convective and radiative zones, and verify the classical eddy diffusion parameterization. With the addition of active tracers, we examine the interactions between dynamical and chemical processes using abstract chemical reactions. By locating the quench point (the point at which the dynamical and chemical timescales are the same) in different dynamical regimes, we test the quench approximation, and generate prescriptions for the exoplanet and brown dwarf communities.

  15. Mass conservative, positive definite integrator for atmospheric chemical dynamics

    NASA Astrophysics Data System (ADS)

    Nguyen, Khoi; Caboussat, Alexandre; Dabdub, Donald

    2009-12-01

    Air quality models compute the transformation of species in the atmosphere undergoing chemical and physical changes. The numerical algorithms used to predict these transformations should obey mass conservation and positive definiteness properties. Among all physical phenomena, the chemical kinetics solver provides the greatest challenge to attain these two properties. In general, most chemical kinetics solvers are mass conservative but not positive definite. In this article, a new numerical algorithm for the computation of chemical kinetics is presented. The integrator is called Split Single Reaction Integrator (SSRI). It is both mass conservative and positive definite. It solves each chemical reaction exactly and uses operator splitting techniques (symmetric split) to combine them into the entire system. The method can be used within a host integrator to fix the negative concentrations while preserving the mass, or it can be used as a standalone integrator that guarantees positive definiteness and mass conservation. Numerical results show that the new integrator, used as a standalone integrator, is second order accurate and stable under large fixed time steps when other conventional integrators are unstable.

  16. Global 3-d modeling of atmospheric ozone in the free troposphere and the stratosphere with emphasis on midlatitude regions. Final report, July 1, 1994--June 30, 1997

    SciTech Connect

    Brasseur, G.; Erickson, D.; Tie, X.; Walter, S.

    1997-12-01

    The objective of this research is to use global chemical-transport models to study the chemical and dynamical processes that affect midlatitude stratospheric ozone and to quantify the budget of tropospheric ozone. Four models will be improved and used: (1) a new version of the two-dimensional chemical-radiative-dynamical model with microphysical process of sulfate aerosols and polar stratospheric clouds (PSCs), and heterogeneous conversions on the surfaces of sulfate aerosols and PSCs; (2) the stratospheric version of three-dimensional off-line chemical-transport model (STARS) with a relatively high horizontal resolution (2.8 degree in latitudes) with a microphysical formation of PSCs; (3) the tropospheric version of three-dimensional off-line chemical-transport model (MOZART) with details in the surface emissions and hydrocarbon reactions to estimate the tropospheric ozone budget and perturbations; (4) the intermediate model of the global and annual evolution of species (IMAGES) with a detailed chemical reactions but relatively lower resolutions. Model results will be compared with available data.

  17. AE3D

    SciTech Connect

    Spong, Donald A

    2016-06-20

    AE3D solves for the shear Alfven eigenmodes and eigenfrequencies in a torodal magnetic fusion confinement device. The configuration can be either 2D (e.g. tokamak, reversed field pinch) or 3D (e.g. stellarator, helical reversed field pinch, tokamak with ripple). The equations solved are based on a reduced MHD model and sound wave coupling effects are not currently included.

  18. Laboratory Studies of Heterogeneous Chemical Processes of Atmospheric Importance

    NASA Technical Reports Server (NTRS)

    Molina, Mario J.

    2003-01-01

    The objective of this study is to conduct measurements of chemical kinetics parameters for heterogeneous reactions of importance in the stratosphere and the troposphere. It involves the elucidation of the mechanism of the interaction of HC1 vapor with ice surfaces, which is the first step in the heterogeneous chlorine activation processes, as well as the investigation of the atmospheric oxidation mechanism of soot particles emitted by biomass and fossil fuels. The techniques being employed include turbulent flow- chemical ionization mass spectrometry and optical ellipsometry, among others. The next section summarizes our research activities during the first year of the project, and the section that follows consists of the statement of work for the second year.

  19. A joint data assimilation system (Tan-Tracker) to simultaneously estimate surface CO2 fluxes and 3-D atmospheric CO2 concentrations from observations

    NASA Astrophysics Data System (ADS)

    Tian, X.; Xie, Z.; Liu, Y.; Cai, Z.; Fu, Y.; Zhang, H.; Feng, L.

    2013-09-01

    To quantitatively estimate CO2 surface fluxes (CFs) from atmospheric observations, a joint data assimilation system ("Tan-Tracker") is developed by incorporating a joint data assimilation framework into the GEOS-Chem atmospheric transport model. In Tan-Tracker, we choose an identity operator as the CF dynamical model to describe the CFs' evolution, which constitutes an augmented dynamical model together with the GEOS-Chem atmospheric transport model. In this case, the large-scale vector made up of CFs and CO2 concentrations is taken as the prognostic variable for the augmented dynamical model. And thus both CO2 concentrations and CFs are jointly assimilated by using the atmospheric observations (e.g., the in-situ observations or satellite measurements). In contrast, in the traditional joint data assimilation frameworks, CFs are usually treated as the model parameters and form a state-parameter augmented vector jointly with CO2 concentrations. The absence of a CF dynamical model will certainly result in a large waste of observed information since any useful information for CFs' improvement achieved by the current data assimilation procedure could not be used in the next assimilation cycle. Observing system simulation experiments (OSSEs) are carefully designed to evaluate the Tan-Tracker system in comparison to its simplified version (referred to as TT-S) with only CFs taken as the prognostic variables. It is found that our Tan-Tracker system is capable of outperforming TT-S with higher assimilation precision for both CO2 concentrations and CO2 fluxes, mainly due to the simultaneous assimilation of CO2 concentrations and CFs in our Tan-Tracker data assimilation system.

  20. Preliminary Evaluation of a Regional Atmospheric Chemical Data Assimilation System for Environmental Surveillance

    PubMed Central

    Lee, Pius; Liu, Yang

    2014-01-01

    We report the progress of an ongoing effort by the Air Resources Laboratory, NOAA to build a prototype regional Chemical Analysis System (ARLCAS). The ARLCAS focuses on providing long-term analysis of the three dimensional (3D) air-pollutant concentration fields over the continental U.S. It leverages expertise from the NASA Earth Science Division-sponsored Air Quality Applied Science Team (AQAST) for the state-of-science knowledge in atmospheric and data assimilation sciences. The ARLCAS complies with national operational center requirement protocols and aims to have the modeling system to be maintained by a national center. Meteorology and chemistry observations consist of land-, air- and space-based observed and quality-assured data. We develop modularized testing to investigate the efficacies of the various components of the ARLCAS. The sensitivity testing of data assimilation schemes showed that with the increment of additional observational data sets, the accuracy of the analysis chemical fields also increased incrementally in varying margins. The benefit is especially noted for additional data sets based on a different platform and/or a different retrieval algorithm. We also described a plan to apply the analysis chemical fields in environmental surveillance at the Centers for Disease Control and Prevention. PMID:25514141

  1. Preliminary evaluation of a regional atmospheric chemical data assimilation system for environmental surveillance.

    PubMed

    Lee, Pius; Liu, Yang

    2014-12-01

    We report the progress of an ongoing effort by the Air Resources Laboratory, NOAA to build a prototype regional Chemical Analysis System (ARLCAS). The ARLCAS focuses on providing long-term analysis of the three dimensional (3D) air-pollutant concentration fields over the continental U.S. It leverages expertise from the NASA Earth Science Division-sponsored Air Quality Applied Science Team (AQAST) for the state-of-science knowledge in atmospheric and data assimilation sciences. The ARLCAS complies with national operational center requirement protocols and aims to have the modeling system to be maintained by a national center. Meteorology and chemistry observations consist of land-, air- and space-based observed and quality-assured data. We develop modularized testing to investigate the efficacies of the various components of the ARLCAS. The sensitivity testing of data assimilation schemes showed that with the increment of additional observational data sets, the accuracy of the analysis chemical fields also increased incrementally in varying margins. The benefit is especially noted for additional data sets based on a different platform and/or a different retrieval algorithm. We also described a plan to apply the analysis chemical fields in environmental surveillance at the Centers for Disease Control and Prevention.

  2. MISTiC Winds, a Micro-Satellite Constellation Approach to High Resolution Observations of the Atmosphere using Infrared Sounding and 3D Winds Measurements

    NASA Astrophysics Data System (ADS)

    Maschhoff, K. R.; Polizotti, J. J.; Susskind, J.; Aumann, H. H.

    2015-12-01

    MISTiCTM Winds is an approach to improve short-term weather forecasting based on a miniature high resolution, wide field, thermal emission spectrometry instrument that will provide global tropospheric vertical profiles of atmospheric temperature and humidity at high (3-4 km) horizontal and vertical ( 1 km) spatial resolution. MISTiC's extraordinarily small size, payload mass of less than 15 kg, and minimal cooling requirements can be accommodated aboard a 27U-class CubeSat or an ESPA-Class micro-satellite. Low fabrication and launch costs enable a LEO sun-synchronous sounding constellation that would collectively provide frequent IR vertical profiles and vertically resolved atmospheric motion vector wind observations in the troposphere. These observations are highly complementary to present and emerging environmental observing systems, and would provide a combination of high vertical and horizontal resolution not provided by any other environmental observing system currently in operation. The spectral measurements that would be provided by MISTiC Winds are similar to those of NASA's Atmospheric Infrared Sounder that was built by BAE Systems and operates aboard the AQUA satellite. These new observations, when assimilated into high resolution numerical weather models, would revolutionize short-term and severe weather forecasting, save lives, and support key economic decisions in the energy, air transport, and agriculture arenas-at much lower cost than providing these observations from geostationary orbit. In addition, this observation capability would be a critical tool for the study of transport processes for water vapor, clouds, pollution, and aerosols. Key technical risks are being reduced through laboratory and airborne testing under NASA's Instrument Incubator Program.

  3. 3-D Seismic Interpretation

    NASA Astrophysics Data System (ADS)

    Moore, Gregory F.

    2009-05-01

    This volume is a brief introduction aimed at those who wish to gain a basic and relatively quick understanding of the interpretation of three-dimensional (3-D) seismic reflection data. The book is well written, clearly illustrated, and easy to follow. Enough elementary mathematics are presented for a basic understanding of seismic methods, but more complex mathematical derivations are avoided. References are listed for readers interested in more advanced explanations. After a brief introduction, the book logically begins with a succinct chapter on modern 3-D seismic data acquisition and processing. Standard 3-D acquisition methods are presented, and an appendix expands on more recent acquisition techniques, such as multiple-azimuth and wide-azimuth acquisition. Although this chapter covers the basics of standard time processing quite well, there is only a single sentence about prestack depth imaging, and anisotropic processing is not mentioned at all, even though both techniques are now becoming standard.

  4. Mistic winds, a microsatellite constellation approach to high-resolution observations of the atmosphere using infrared sounding and 3d winds measurements

    NASA Astrophysics Data System (ADS)

    Maschhoff, K. R.; Polizotti, J. J.; Aumann, H. H.; Susskind, J.

    2016-10-01

    MISTiC Winds is an approach to improve short-term weather forecasting based on a miniature high resolution, wide field, thermal emission spectrometry instrument that will provide global tropospheric vertical profiles of atmospheric temperature and humidity at high (3-4 km) horizontal and vertical ( 1 km) spatial resolution. MISTiC's extraordinarily small size, payload mass of less than 15 kg, and minimal cooling requirements can be accommodated aboard a 27U-class CubeSat or an ESPA-Class micro-satellite. Low fabrication and launch costs enable a LEO sunsynchronous sounding constellation that would collectively provide frequent IR vertical profiles and vertically resolved atmospheric motion vector wind observations in the troposphere. These observations are highly complementary to present and emerging environmental observing systems, and would provide a combination of high vertical and horizontal resolution not provided by any other environmental observing system currently in operation. The spectral measurements that would be provided by MISTiC Winds are similar to those of NASA's AIRS that was built by BAE Systems and operates aboard the AQUA satellite. These new observations, when assimilated into high resolution numerical weather models, would revolutionize short-term and severe weather forecasting, save lives, and support key economic decisions in the energy, air transport, and agriculture arenas-at much lower cost than providing these observations from geostationary orbit. In addition, this observation capability would be a critical tool for the study of transport processes for water vapor, clouds, pollution, and aerosols. Key remaining technical risks are being reduced through laboratory and airborne testing under NASA's Instrument Incubator Program.

  5. MISTiC Winds: A micro-satellite constellation approach to high resolution observations of the atmosphere using infrared sounding and 3D winds measurements

    NASA Astrophysics Data System (ADS)

    Maschhoff, K. R.; Polizotti, J. J.; Aumann, H. H.; Susskind, J.

    2016-09-01

    MISTiCTM Winds is an approach to improve short-term weather forecasting based on a miniature high resolution, wide field, thermal emission spectrometry instrument that will provide global tropospheric vertical profiles of atmospheric temperature and humidity at high (3-4 km) horizontal and vertical ( 1 km) spatial resolution. MISTiC's extraordinarily small size, payload mass of less than 15 kg, and minimal cooling requirements can be accommodated aboard a 27U-class CubeSat or an ESPA-Class micro-satellite. Low fabrication and launch costs enable a LEO sunsynchronous sounding constellation that would collectively provide frequent IR vertical profiles and vertically resolved atmospheric motion vector wind observations in the troposphere. These observations are highly complementary to present and emerging environmental observing systems, and would provide a combination of high vertical and horizontal resolution not provided by any other environmental observing system currently in operation. The spectral measurements that would be provided by MISTiC Winds are similar to those of NASA's AIRS that was built by BAE Systems and operates aboard the AQUA satellite. These new observations, when assimilated into high resolution numerical weather models, would revolutionize short-term and severe weather forecasting, save lives, and support key economic decisions in the energy, air transport, and agriculture arenas-at much lower cost than providing these observations from geostationary orbit. In addition, this observation capability would be a critical tool for the study of transport processes for water vapor, clouds, pollution, and aerosols. Key remaining technical risks are being reduced through laboratory and airborne testing under NASA's Instrument Incubator Program.

  6. Bootstrapping 3D fermions

    DOE PAGES

    Iliesiu, Luca; Kos, Filip; Poland, David; ...

    2016-03-17

    We study the conformal bootstrap for a 4-point function of fermions <ψψψψ> in 3D. We first introduce an embedding formalism for 3D spinors and compute the conformal blocks appearing in fermion 4-point functions. Using these results, we find general bounds on the dimensions of operators appearing in the ψ × ψ OPE, and also on the central charge CT. We observe features in our bounds that coincide with scaling dimensions in the GrossNeveu models at large N. Finally, we also speculate that other features could coincide with a fermionic CFT containing no relevant scalar operators.

  7. Bootstrapping 3D fermions

    SciTech Connect

    Iliesiu, Luca; Kos, Filip; Poland, David; Pufu, Silviu S.; Simmons-Duffin, David; Yacoby, Ran

    2016-03-17

    We study the conformal bootstrap for a 4-point function of fermions <ψψψψ> in 3D. We first introduce an embedding formalism for 3D spinors and compute the conformal blocks appearing in fermion 4-point functions. Using these results, we find general bounds on the dimensions of operators appearing in the ψ × ψ OPE, and also on the central charge CT. We observe features in our bounds that coincide with scaling dimensions in the GrossNeveu models at large N. Finally, we also speculate that other features could coincide with a fermionic CFT containing no relevant scalar operators.

  8. Deep etching of single- and polycrystalline silicon with high speed, high aspect ratio, high uniformity, and 3D complexity by electric bias-attenuated metal-assisted chemical etching (EMaCE).

    PubMed

    Li, Liyi; Zhao, Xueying; Wong, Ching-Ping

    2014-10-08

    In this work, a novel wet silicon (Si) etching method, electric bias-attenuated metal-assisted chemical etching (EMaCE), is demonstrated to be readily available for three-dimensional (3D) electronic integration, microelectromechinal systems, and a broad range of 3D electronic components with low cost. On the basis of the traditional metal-assisted chemical etching process, an electric bias was applied to the Si substrate in EMaCE. The 3D geometry of the etching profile was effectively controlled by the bias in a real-time manner. The reported method successfully fabricated an array of over 10 000 vertical holes with diameters of 28 μm on 1 cm(2) silicon chips at a rate of up to 11 μm/min. The sidewall roughness was kept below 50 nm, and a high aspect ratio of over 10:1 was achieved. The 3D geometry could be attenuated by the variable applied bias in real time. Vertical deep etching was realized on (100)-, (111)-Si, and polycrystalline Si substrates. Complex features with lateral dimensions of 0.8-500 μm were also fabricated with submicron accuracy.

  9. Venus in 3D

    NASA Technical Reports Server (NTRS)

    Plaut, Jeffrey J.

    1993-01-01

    Stereographic images of the surface of Venus which enable geologists to reconstruct the details of the planet's evolution are discussed. The 120-meter resolution of these 3D images make it possible to construct digital topographic maps from which precise measurements can be made of the heights, depths, slopes, and volumes of geologic structures.

  10. 3D photoacoustic imaging

    NASA Astrophysics Data System (ADS)

    Carson, Jeffrey J. L.; Roumeliotis, Michael; Chaudhary, Govind; Stodilka, Robert Z.; Anastasio, Mark A.

    2010-06-01

    Our group has concentrated on development of a 3D photoacoustic imaging system for biomedical imaging research. The technology employs a sparse parallel detection scheme and specialized reconstruction software to obtain 3D optical images using a single laser pulse. With the technology we have been able to capture 3D movies of translating point targets and rotating line targets. The current limitation of our 3D photoacoustic imaging approach is its inability ability to reconstruct complex objects in the field of view. This is primarily due to the relatively small number of projections used to reconstruct objects. However, in many photoacoustic imaging situations, only a few objects may be present in the field of view and these objects may have very high contrast compared to background. That is, the objects have sparse properties. Therefore, our work had two objectives: (i) to utilize mathematical tools to evaluate 3D photoacoustic imaging performance, and (ii) to test image reconstruction algorithms that prefer sparseness in the reconstructed images. Our approach was to utilize singular value decomposition techniques to study the imaging operator of the system and evaluate the complexity of objects that could potentially be reconstructed. We also compared the performance of two image reconstruction algorithms (algebraic reconstruction and l1-norm techniques) at reconstructing objects of increasing sparseness. We observed that for a 15-element detection scheme, the number of measureable singular vectors representative of the imaging operator was consistent with the demonstrated ability to reconstruct point and line targets in the field of view. We also observed that the l1-norm reconstruction technique, which is known to prefer sparseness in reconstructed images, was superior to the algebraic reconstruction technique. Based on these findings, we concluded (i) that singular value decomposition of the imaging operator provides valuable insight into the capabilities of

  11. EOS Interdisciplinary Investigation: Observational and Modeling Studies of Radiative, Chemical, and Dynamical Interactions in the Earth's Atmosphere

    NASA Technical Reports Server (NTRS)

    Salby, Murry L.

    1998-01-01

    A 3-dimensional model of atmospheric dynamics and photochemistry has been developed from the primitive equations in isentropic coordinates. The model extends from the upper troposphere through the middle atmosphere and is driven by observed dynamical and chemical structure in the troposphere. The model's formulation is entirely spectral: Horizontal structure is represented in terms of vector Hough functions, which explicitly partition the motion into its rotational and divergent components. This formulation enables the model's computational performance to be increased dramatically by filtering high-frequency gravity waves, which do not affect PV conservation. Vertical structure is represented in terms of eigenfunctions that follow from the primitive equations in isentropic coordinates. The model's fully spectral formulation enables scale-selective dissipation, necessary for numerical stability, to be applied at 6th order-in all 3 coordinate directions. This feature leaves all but the shortest vertical scales undamped and, consequently, allows potential vorticity and chemical tracers to be conserved quite accurately, distinctly better than in the model's layered counterpart. These dynamical features are complemented by a basic but fairly complete treatment of gas phase photochemistry, which accounts for some 48 chemical species, diurnally-varying SW absorption by O2 and O3, and LW cooling calculated via a detailed band calculation of radiative transfer. Driven by observed tropospheric structure, the 3D model reproduces observed structure in the middle atmosphere, inclusive of transport by the Brewer-Dobson circulation and accompanying chemical variations. Calculated residual motion is consistent with diabatic cooling rates, poleward transport, and descent in the polar night derived from satellite measurements of chemical tracers made from LIMS, SAGE, and UARS. The model also reproduces the observed structure of chemical species like O3, HNO3, and ClO. At the same

  12. Effect of flares on the chemical composition of exoplanets atmospheres

    NASA Astrophysics Data System (ADS)

    Venot, O.; Decin, L.

    2015-10-01

    M stars are very abundant in our Galaxy, and very likely harbour the majority of planetary systems. But a particularity of M stars is that they are the most active class of stars. Indeed, they experience stellar variability such as flares. These violent and unpredictable outbursts originate from the photosphere and are caused by magnetic processus. During such an event, the energy emitted by the star can vary by several orders of magnitude for the whole wavelength range. It results in an enhancement of the H# emission and of the continuum. Different studies on the effect of flares on exoplanets have already been conducted [1, 2]. Here we are interested in the effect of a flare on the atmospheric composition of a warm Neptune orbiting around an M star. Using the stellar flux of AD Leo recorded during a flare event [1] and the chemical model of [3], we have studied the impact on the atmosphere. We have also computed the synthetic spectra assuming that such an event occurs during a transit. We will present these results.

  13. Chemical alteration of extraterrestrial organics during atmospheric entry of micrometeorites

    NASA Astrophysics Data System (ADS)

    Kress, M.; Brownlee, D.

    Most of the extraterrestrial carbon accreted by Earth is carried by the 40,000 tons of ~0.2 mm micrometeorites that enter the atmosphere every year. Particles in this size range would have supplied an enormous amount of carbon to the inchoate biosphere since the exogenous influx at ~4 Ga would have been much higher than today. However, these particles undergo strong drag heating to ~1500 K for several seconds upon atmospheric entry, ostensibly burning away all the organics as CO. Ironically, particles of this size seemed to contribute no organic carbon to Earth despite the fact that they constitute the bulk of the total incoming mass. Conventional wisdom has thus held that organics survive only in smaller cosmic dust grains and in >~cm-sized meteorites, which account for only a tiny fraction of the total exogenous mass flux. However, carbon has been found in several smaller, yet still strongly-heated particles in the form of a refractory, char-like material imbedded with tiny FeNi metal beads, motivating us to study the pyrolysis of complex organic matter. We will present results from experiments and chemical models of the transient drag heating of micrometeorites. We predict that small aromatics, light hydrocarbons, and other organics, as well as CO and char, are formed, indicating that strongly-heated micrometeorites may have indeed been a significant source of organic carbon during the origin of life on Earth.

  14. Mathematical modelling of physical and chemical processes of coal combustion in chamber furnaces of boiler aggregates based on the package of applied programs FIRE 3D

    NASA Astrophysics Data System (ADS)

    Gil, A. V.; Starchenko, A. V.

    2012-09-01

    The furnace processes of the combustion of poly-fraction high-ashes Ekibastuz coal in the furnace chamber of the boiler aggregate PK-39 and of the combustion of highly humid brown Berezov's coal in the furnace of the BKZ-210-140 boiler are investigated by mathematical modeling using the package of applied programs FIRE 3D [1-3]. Results of the numerical modeling of the processes of aerodynamics, heat exchange, and combustion in the furnace volume and their comparison with the results of nature tests are presented.

  15. Spatially resolved chemical imaging of individual atmospheric particles using nanoscale imaging mass spectrometry: insight into particle origin and chemistry

    SciTech Connect

    Ghosal, Sutapa; Weber, Peter K.; Laskin, Alexander

    2014-01-14

    Knowledge of the spatially resolved composition of atmospheric particles is essential for differentiating between their surface versus bulk chemistry and understanding particle reactivity and the potential environmental impact. Here, we demonstrate the application of nanometer-scale secondary ion mass spectrometry (CAMECA NanoSIMS 50 ion probe) for 3D chemical imaging of individual atmospheric particles without any sample pre-treatment, such as sectioning of particles. Use of NanoSIMS depth profile analysis enables elemental mapping of particles with nanometer spatial resolution over a broad range of particle sizes. We have used this technique to probe the spatially resolved composition of ambient particles collected during a field campaign in Mexico City. Particles collected during this campaign have been extensively characterized in the past using other particle analysis techniques and hence offer a unique opportunity for exploring the utility of depth-resolved chemical imaging in ambient particle research. The particles that we examined in our study include those collected during a pollution episode related to urban waste incineration as well as background particles from the same location before the episode. Particles from the pollution episode show substantial intra-particle compositional variability typical of particles resulting from multiple emission sources. In contrast, the background particles have relatively homogeneous compositions with enhanced presence of nitrogen, oxygen, and chlorine at the particle surface. We also observed the surface enhancement of nitrogen and oxygen species is consistent with the presence of surface nitrates resulting from gas–particle heterogeneous interactions and is indicative of atmospheric ageing of the particles. The results presented here illustrate 3D characterization of ambient particles for insight into their chemical history.

  16. Spatially resolved chemical imaging of individual atmospheric particles using nanoscale imaging mass spectrometry: insight into particle origin and chemistry

    DOE PAGES

    Ghosal, Sutapa; Weber, Peter K.; Laskin, Alexander

    2014-01-14

    Knowledge of the spatially resolved composition of atmospheric particles is essential for differentiating between their surface versus bulk chemistry and understanding particle reactivity and the potential environmental impact. Here, we demonstrate the application of nanometer-scale secondary ion mass spectrometry (CAMECA NanoSIMS 50 ion probe) for 3D chemical imaging of individual atmospheric particles without any sample pre-treatment, such as sectioning of particles. Use of NanoSIMS depth profile analysis enables elemental mapping of particles with nanometer spatial resolution over a broad range of particle sizes. We have used this technique to probe the spatially resolved composition of ambient particles collected during amore » field campaign in Mexico City. Particles collected during this campaign have been extensively characterized in the past using other particle analysis techniques and hence offer a unique opportunity for exploring the utility of depth-resolved chemical imaging in ambient particle research. The particles that we examined in our study include those collected during a pollution episode related to urban waste incineration as well as background particles from the same location before the episode. Particles from the pollution episode show substantial intra-particle compositional variability typical of particles resulting from multiple emission sources. In contrast, the background particles have relatively homogeneous compositions with enhanced presence of nitrogen, oxygen, and chlorine at the particle surface. We also observed the surface enhancement of nitrogen and oxygen species is consistent with the presence of surface nitrates resulting from gas–particle heterogeneous interactions and is indicative of atmospheric ageing of the particles. The results presented here illustrate 3D characterization of ambient particles for insight into their chemical history.« less

  17. Spatially resolved chemical imaging of individual atmospheric particles using nanoscale imaging mass spectrometry: Insights into particle origin and chemistry

    NASA Astrophysics Data System (ADS)

    Ghosal, S.; Weber, P. K.; Laskin, A.

    2014-12-01

    Knowledge of the spatially-resolved composition of atmospheric particles is essential for differentiating between their surface versus bulk chemistry, understanding particle reactivity and the potential environmental impact. We demonstrate the application of nanometer-scale secondary ion mass spectrometry (Cameca NanoSIMS 50 ion probe) for 3D chemical imaging of individual atmospheric particles without any sample pre-treatment, such as the sectioning of particles. Use of NanoSIMS depth profile analysis enables elemental mapping of particles with nanometer spatial resolution over a broad of range of particle sizes. We have used this technique to probe spatially resolved composition of ambient particles collected during a field campaign in Mexico City. Particles collected during this campaign have been extensively characterized in the past using other particle analysis techniques and hence offer a unique opportunity for exploring the utility of depth resolved chemical imaging in ambient particle research. Particles examined in this study include those collected during a pollution episode related to urban waste incineration as well as background particles from the same location prior to the episode. Particles from the pollution episode show substantial intra-particle compositional variability typical of particles resulting from multiple emission sources. In contrast, the background particles have relatively homogeneous compositions with enhanced presence of nitrogen, oxygen and chlorine at the particle surface. The observed surface enhancement of nitrogen and oxygen species is consistent with the presence of surface nitrates resulting from gas-particle heterogeneous interactions and is indicative of atmospheric ageing of the particles. The results presented here illustrate 3D characterization of ambient particles for insights into their chemical history.

  18. A 3D Global Climate Model of the Pluto atmosphere coupled to a volatile transport model to interpret New Horizons observations, including the N2, CH4 and CO cycles and the formation of organic hazes

    NASA Astrophysics Data System (ADS)

    Bertrand, Tanguy; Forget, Francois

    2016-04-01

    To interpret New Horizons observations and simulate the Pluto climate system, we have developed a Global Climate Model (GCM) of Pluto's atmosphere. In addition to a 3D "dynamical core" which solves the equation of meteorology, the model takes into account the N2 condensation and sublimation and its thermal and dynamical effects, the vertical turbulent mixing, the radiative transfer through methane and carbon monoxide, molecular thermal conduction, and a detailed surface thermal model with different thermal inertia for various timescales (diurnal, seasonal). The GCM also includes a detailed model of the CH4 and CO cycles, taking into account their transport by the atmospheric circulation and turbulence, as well as their condensation and sublimation on the surface and in the atmosphere, possibly forming methane ice clouds. The GCM consistently predicts the 3D methane abundance in the atmosphere, which is used as an input for our radiative transfer calculation. In a second phase, we also developed a volatile transport model, derived from the GCM, which can be run over thousands of years in order to reach consistent initial states for the GCM runs and better explore the seasonal processes on Pluto. Results obtained with the volatile transport model show that the distribution of N2, CH4 and CO ices primarily depends on the seasonal thermal inertia used for the different ices, and is affected by the assumed topography as well. As observed, it is possible to form a large and permanent nitrogen glacier with CO and CH4 ice deposits in an equatorial basin corresponding to Sputnik Planum, while having a surface pressure evolution consistent with stellar occultations and New Horizons data. In addition, most of the methane ice is sequestered with N2 ice in the basin but seasonal polar caps of CH4 frosts also form explaining the bright polar caps observed with Hubble in the 1980s and in line with New Horizons observations. Using such balanced combination of surface and

  19. Chemical reactions between Venus' surface and atmosphere - An update. (Invited)

    NASA Astrophysics Data System (ADS)

    Treiman, A. H.

    2013-12-01

    The surface of Venus, at ~740K, is hot enough to allow relatively rapid chemical reactions between it and the atmosphere, i.e. weathering. Venus chemical weathering has been explored in detail [1], to the limits of available data. New data from Venus Express (VEx) and new ideas from exoplanets have sparked a modest renewal of interest in Venus weathering. Venus' surface cannot be observed in visible light, but there are several NIR ';windows' through its atmosphere that allow surface imaging. The VIRTIS spectrometer on VEx viewed the surface through one window [2]; emissivity variations among lava flows on Imdr and Themis Regios have been explained as varying degrees of weathering, and thus age [3]. The VMC camera on VEx also provides images through a NIR window, which suggest variable degrees of weathering on some basaltic plains [4]. Indirect evidence for weathering may come from varying SO2 abundance at Venus' cloud tops; repeated rapid increases and gradual declines may represent volcanic eruptions followed by weathering to form sulfate minerals [5]. Continued geochemical modeling relevant to Venus weathering is motivated by expolanet studies [6]. Models have been extended to hypothetical exo-Venuses of different temperatures and surface compositions [7]. The idea that Venus' atmosphere composition can be buffered by reaction with its surface was explored in detail, and the derived constraint extended to other types of planets [8]. Several laboratories are investigating Venus weathering, motivated in part by the hope that they can provide real constraints on timescales of Venus volcanism [3]. Aveline et al. [9] are extending early studies [10] by reacting rocks and minerals with concentrated SO2 (to accelerate reaction rates to allow detectability of products). Kohler et al. [11] are investigating the stability of metals and chalcogenides as possible causes of the low-emissivity surfaces at high elevations. Berger and Aigouy [12] studied rock alteration on a

  20. Evaluation of atmospheric chemical models using aircraft data (Invited)

    NASA Astrophysics Data System (ADS)

    Freeman, S.; Grossberg, N.; Pierce, R.; Lee, P.; Ngan, F.; Yates, E. L.; Iraci, L. T.; Lefer, B. L.

    2013-12-01

    Air quality prediction is an important and growing field, as the adverse health effects of ozone (O3) are becoming more important to the general public. Two atmospheric chemical models, the Realtime Air Quality Modeling System (RAQMS) and the Community Multiscale Air Quality modeling system (CMAQ) are evaluated during NASA's Student Airborne Research Project (SARP) and the NASA Alpha Jet Atmospheric eXperiment (AJAX) flights. CO, O3, and NOx data simulated by the models are interpolated using an inverse distance weighting in space and a linear interpolation in time to both the SARP and AJAX flight tracks and compared to the CO, O3, and NOx observations at those points. Results for the seven flights included show moderate error in O3 during the flights, with RAQMS having a high O3 bias (+15.7 ppbv average) above 6 km and a low O3 bias (-17.5 ppbv average) below 4km. CMAQ was found to have a low O3 bias (-13.0 ppbv average) everywhere. Additionally, little bias (-5.36% RAQMS, -11.8% CMAQ) in the CO data was observed with the exception of a wildfire smoke plume that was flown through on one SARP flight, as CMAQ lacks any wildfire sources and RAQMS resolution is too coarse to resolve narrow plumes. This indicates improvement in emissions inventories compared to previous studies. CMAQ additionally incorrectly predicted a NOx plume due to incorrectly vertically advecting it from the surface, which caused NOx titration to occur, limiting the production of ozone. This study shows that these models perform reasonably well in most conditions; however more work must be done to assimilate wildfires, improve emissions inventories, and improve meteorological forecasts for the models.

  1. Three-dimensional dynamical and chemical modelling of the upper atmosphere

    NASA Technical Reports Server (NTRS)

    Prinn, R. G.; Alyea, F. N.; Cunnold, D. M.

    1976-01-01

    Progress in coding a 3-D upper atmospheric model and in modeling the ozone perturbation resulting from the shuttle booster exhaust is reported. A time-dependent version of a 2-D model was studied and the sulfur cycle in the stratosphere was investigated. The role of meteorology in influencing stratospheric composition measurements was also studied.

  2. Sources and Chemical Evolution of Atmospheric Organic Particulate Matter

    NASA Astrophysics Data System (ADS)

    Murphy, Benjamin Neel

    Organic compounds make up a significant fraction of the total composition of atmospheric particles with a diameter of 2.5 mum or less (PM2.5 ) at location throughout the world and seasons throughout the entire year. An understanding of the entire atmospheric PM2.5 system is thus dependent on an adequate understanding of the sources, properties and fate of organic compounds. These species exist in equilibrium between the particulate- and gas-phase. The fraction of the total mass present in each phase is governed by the volatility of individual species. A variety of emission activities are responsible for injecting this organic mass into the atmosphere including vehicle use, biomass burning, energy generation, industrial processing and plat emissions among other sources. After this initial emission atmospheric oxidants may modify the properties of these compounds, especially their volatility, thereby shifting the equilibrium between the particulate- and gas-phase and causing condensation or evaporation. This thesis focuses on modeling these complex phenomena in a chemical transport model (CTM) of the atmosphere. We employ the volatility basis set (VBS) in the CTM, PMCAMx-2008, and evaluate it against ambient measurements. While taking into account recent findings about the volatility distribution of primary organic aerosol (POA) and the multigenerational OH oxidation of the vapors in equilibrium with primary as well as secondary organic aerosol (SOA), we find the model to perform reasonably well for a summertime simulation of the Eastern US (fractional error ≤ 52% and |fractional bias| ≤ 30%) for all sites compared. With this acceptably performing model, we explore the source-receptor relationships of organic aerosol (OA). A three US sites (Pittsburgh, PA; Duke Forest, NC; and New York, NY), and one European site (Paris, FR) the bulk OA behaves very much as a regional pollutant with average transport distances of about 100-500 km before arriving at the receptors

  3. Observational and Modeling Studies of Radiative, Chemical, and Dynamical Interactions in the Earth''s Atmosphere

    NASA Technical Reports Server (NTRS)

    Salby, Murry

    1998-01-01

    A 3-dimensional model was developed to support mechanistic studies. The model solves the global primitive equations in isentropic coordinates, which directly characterize diabatic processes forcing the Brewer-Dobson circulation of the middle atmosphere. It's numerical formulation is based on Hough harmonics, which partition horizontal motion into its rotational and divergent components. These computational features, along with others, enable 3D integrations to be performed practically on RISC computer architecture, on which they can be iterated to support mechanistic studies. The model conserves potential vorticity quite accurately under adiabatic conditions. Forced by observed tropospheric structure, in which integrations are anchored, the model generates a diabatic circulation that is consistent with satellite observations of tracer behavior and diabatic cooling rates. The model includes a basic but fairly complete treatment of gas-phase photochemistry that represents some 20 chemical species and 50 governing reactions with diurnally-varying shortwave absorption. The model thus provides a reliable framework to study transport and underlying diabatic processes, which can then be compared against chemical and dynamical structure observed and in GCM integrations. Integrations with the Langley GCM were performed to diagnose feedback between simulated convection and the tropical circulation. These were studied in relation to tropospheric properties controlling moisture convergence and environmental conditions supporting deep convection, for comparison against mechanistic integrations of wave CISK that successfully reproduce the Madden-Julian Oscillation (MJO) of the tropical circulation. These comparisons were aimed at identifying and ultimately improving aspects of the convective simulation, with the objective of recovering a successful simulation of the MJO in the Langley GCM, behavior that should be important to budgets of upper-tropospheric water vapor and

  4. 3D Tomography of Accretionary Lapilli From The Island of Stromboli (Aeolian Archipelago, Italy): Spatial Arrangement, Internal Structure, Grain Size Distribution and Chemical Characterization

    NASA Astrophysics Data System (ADS)

    Morgavi, D.; Ielpo, M.; Valentini, L.; Laeger, K.; Paredes, J.; Petrelli, M.; Costa, A.; Perugini, D.

    2015-12-01

    The Secche di Lazzaro formation (7 Ka) is a phreatomagmatic deposit in the south-western part of the island of Stromboli (Aeolian Archipelago, Italy). The volcanic sequence is constituted by three main sub-units. In two of them abundant accretionary lapilli are present. We performed granulometric analysis to describe the spatial arrangement and the grain-size distribution of the lapilli inside the deposit. Lapilli were characterized by SEM investigations (BSE images). EMPA and LA-ICP-MS analyses of major and trace elements on glasses and minerals were performed. Although BSE images provide accurate morphological information, they do not allow the real 3D microstructure to be accessed. Therefore, non-invasive 3D imaging of the lapilli was performed by X-ray micro-tomography (X-mCT). The results of the X-mCT measurements provided a set of 2D cross-sectional slices stacked along the vertical axis, with a voxel size varying between 2.7 and 4.1 mm, depending on the size of the sample. The X-mCT images represent a mapping of X-ray attenuation, which in turn depends on the density of the phases distributed within the sample. This technique helped us to better constrain the particle and crystal distribution inside the accretionary lapilli. The recognized phases are: glass, clinopyroxene, plagioclase and Ti-Fe minerals. We discover also a high concentration of Na, Cl and SO3 in the ash matrix. This evidence is ubiquitous in all the accretionary lapilli. The work presented here could define a new route for future studies in the field of physical volcanology as X-ray micro-tomography could be a useful, non destructive technique to better characterize the internal structure of accretionary lapilli helping us to describe grain-size distribution of component particles and their spatial distribution within aggregates.

  5. Twin Peaks - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    The two hills in the distance, approximately one to two kilometers away, have been dubbed the 'Twin Peaks' and are of great interest to Pathfinder scientists as objects of future study. 3D glasses are necessary to identify surface detail. The white areas on the left hill, called the 'Ski Run' by scientists, may have been formed by hydrologic processes.

    The IMP is a stereo imaging system with color capability provided by 24 selectable filters -- twelve filters per 'eye.

    Click below to see the left and right views individually. [figure removed for brevity, see original site] Left [figure removed for brevity, see original site] Right

  6. 3D and beyond

    NASA Astrophysics Data System (ADS)

    Fung, Y. C.

    1995-05-01

    This conference on physiology and function covers a wide range of subjects, including the vasculature and blood flow, the flow of gas, water, and blood in the lung, the neurological structure and function, the modeling, and the motion and mechanics of organs. Many technologies are discussed. I believe that the list would include a robotic photographer, to hold the optical equipment in a precisely controlled way to obtain the images for the user. Why are 3D images needed? They are to achieve certain objectives through measurements of some objects. For example, in order to improve performance in sports or beauty of a person, we measure the form, dimensions, appearance, and movements.

  7. 3D Audio System

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Ames Research Center research into virtual reality led to the development of the Convolvotron, a high speed digital audio processing system that delivers three-dimensional sound over headphones. It consists of a two-card set designed for use with a personal computer. The Convolvotron's primary application is presentation of 3D audio signals over headphones. Four independent sound sources are filtered with large time-varying filters that compensate for motion. The perceived location of the sound remains constant. Possible applications are in air traffic control towers or airplane cockpits, hearing and perception research and virtual reality development.

  8. 3D Surgical Simulation

    PubMed Central

    Cevidanes, Lucia; Tucker, Scott; Styner, Martin; Kim, Hyungmin; Chapuis, Jonas; Reyes, Mauricio; Proffit, William; Turvey, Timothy; Jaskolka, Michael

    2009-01-01

    This paper discusses the development of methods for computer-aided jaw surgery. Computer-aided jaw surgery allows us to incorporate the high level of precision necessary for transferring virtual plans into the operating room. We also present a complete computer-aided surgery (CAS) system developed in close collaboration with surgeons. Surgery planning and simulation include construction of 3D surface models from Cone-beam CT (CBCT), dynamic cephalometry, semi-automatic mirroring, interactive cutting of bone and bony segment repositioning. A virtual setup can be used to manufacture positioning splints for intra-operative guidance. The system provides further intra-operative assistance with the help of a computer display showing jaw positions and 3D positioning guides updated in real-time during the surgical procedure. The CAS system aids in dealing with complex cases with benefits for the patient, with surgical practice, and for orthodontic finishing. Advanced software tools for diagnosis and treatment planning allow preparation of detailed operative plans, osteotomy repositioning, bone reconstructions, surgical resident training and assessing the difficulties of the surgical procedures prior to the surgery. CAS has the potential to make the elaboration of the surgical plan a more flexible process, increase the level of detail and accuracy of the plan, yield higher operative precision and control, and enhance documentation of cases. Supported by NIDCR DE017727, and DE018962 PMID:20816308

  9. Martian terrain - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    An area of rocky terrain near the landing site of the Sagan Memorial Station can be seen in this image, taken in stereo by the Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. This image is part of a 3D 'monster' panorama of the area surrounding the landing site.

    Mars Pathfinder is the second in NASA's Discovery program of low-cost spacecraft with highly focused science goals. The Jet Propulsion Laboratory, Pasadena, CA, developed and manages the Mars Pathfinder mission for NASA's Office of Space Science, Washington, D.C. JPL is an operating division of the California Institute of Technology (Caltech). The Imager for Mars Pathfinder (IMP) was developed by the University of Arizona Lunar and Planetary Laboratory under contract to JPL. Peter Smith is the Principal Investigator.

    Click below to see the left and right views individually. [figure removed for brevity, see original site] Left [figure removed for brevity, see original site] Right

  10. 3-D simulation of soot formation in a direct-injection diesel engine based on a comprehensive chemical mechanism and method of moments

    NASA Astrophysics Data System (ADS)

    Zhong, Bei-Jing; Dang, Shuai; Song, Ya-Na; Gong, Jing-Song

    2012-02-01

    Here, we propose both a comprehensive chemical mechanism and a reduced mechanism for a three-dimensional combustion simulation, describing the formation of polycyclic aromatic hydrocarbons (PAHs), in a direct-injection diesel engine. A soot model based on the reduced mechanism and a method of moments is also presented. The turbulent diffusion flame and PAH formation in the diesel engine were modelled using the reduced mechanism based on the detailed mechanism using a fixed wall temperature as a boundary condition. The spatial distribution of PAH concentrations and the characteristic parameters for soot formation in the engine cylinder were obtained by coupling a detailed chemical kinetic model with the three-dimensional computational fluid dynamic (CFD) model. Comparison of the simulated results with limited experimental data shows that the chemical mechanisms and soot model are realistic and correctly describe the basic physics of diesel combustion but require further development to improve their accuracy.

  11. The role of impacting processes in the chemical evolution of the atmosphere of primordial Earth

    NASA Technical Reports Server (NTRS)

    Mukhin, Lev M.; Gerasimov, M. V.

    1991-01-01

    The role of impacting processes in the chemical evolution of the atmosphere of primordial Earth is discussed. The following subject areas are covered: (1) Earth's initial atmosphere; (2) continuous degassing; (3) impact processes and the Earth's protoatmosphere; and (4) the evolution of an impact-generated atmosphere.

  12. 3D field harmonics

    SciTech Connect

    Caspi, S.; Helm, M.; Laslett, L.J.

    1991-03-30

    We have developed an harmonic representation for the three dimensional field components within the windings of accelerator magnets. The form by which the field is presented is suitable for interfacing with other codes that make use of the 3D field components (particle tracking and stability). The field components can be calculated with high precision and reduced cup time at any location (r,{theta},z) inside the magnet bore. The same conductor geometry which is used to simulate line currents is also used in CAD with modifications more readily available. It is our hope that the format used here for magnetic fields can be used not only as a means of delivering fields but also as a way by which beam dynamics can suggest correction to the conductor geometry. 5 refs., 70 figs.

  13. Charge Exchange Reaction in Dopant-Assisted Atmospheric Pressure Chemical Ionization and Atmospheric Pressure Photoionization.

    PubMed

    Vaikkinen, Anu; Kauppila, Tiina J; Kostiainen, Risto

    2016-08-01

    The efficiencies of charge exchange reaction in dopant-assisted atmospheric pressure chemical ionization (DA-APCI) and dopant-assisted atmospheric pressure photoionization (DA-APPI) mass spectrometry (MS) were compared by flow injection analysis. Fourteen individual compounds and a commercial mixture of 16 polycyclic aromatic hydrocarbons were chosen as model analytes to cover a wide range of polarities, gas-phase ionization energies, and proton affinities. Chlorobenzene was used as the dopant, and methanol/water (80/20) as the solvent. In both techniques, analytes formed the same ions (radical cations, protonated molecules, and/or fragments). However, in DA-APCI, the relative efficiency of charge exchange versus proton transfer was lower than in DA-APPI. This is suggested to be because in DA-APCI both dopant and solvent clusters can be ionized, and the formed reagent ions can react with the analytes via competing charge exchange and proton transfer reactions. In DA-APPI, on the other hand, the main reagents are dopant-derived radical cations, which favor ionization of analytes via charge exchange. The efficiency of charge exchange in both DA-APPI and DA-APCI was shown to depend heavily on the solvent flow rate, with best efficiency seen at lowest flow rates studied (0.05 and 0.1 mL/min). Both DA-APCI and DA-APPI showed the radical cation of chlorobenzene at 0.05-0.1 mL/min flow rate, but at increasing flow rate, the abundance of chlorobenzene M(+.) decreased and reagent ion populations deriving from different gas-phase chemistry were recorded. The formation of these reagent ions explains the decreasing ionization efficiency and the differences in charge exchange between the techniques. Graphical Abstract ᅟ.

  14. Charge Exchange Reaction in Dopant-Assisted Atmospheric Pressure Chemical Ionization and Atmospheric Pressure Photoionization

    NASA Astrophysics Data System (ADS)

    Vaikkinen, Anu; Kauppila, Tiina J.; Kostiainen, Risto

    2016-08-01

    The efficiencies of charge exchange reaction in dopant-assisted atmospheric pressure chemical ionization (DA-APCI) and dopant-assisted atmospheric pressure photoionization (DA-APPI) mass spectrometry (MS) were compared by flow injection analysis. Fourteen individual compounds and a commercial mixture of 16 polycyclic aromatic hydrocarbons were chosen as model analytes to cover a wide range of polarities, gas-phase ionization energies, and proton affinities. Chlorobenzene was used as the dopant, and methanol/water (80/20) as the solvent. In both techniques, analytes formed the same ions (radical cations, protonated molecules, and/or fragments). However, in DA-APCI, the relative efficiency of charge exchange versus proton transfer was lower than in DA-APPI. This is suggested to be because in DA-APCI both dopant and solvent clusters can be ionized, and the formed reagent ions can react with the analytes via competing charge exchange and proton transfer reactions. In DA-APPI, on the other hand, the main reagents are dopant-derived radical cations, which favor ionization of analytes via charge exchange. The efficiency of charge exchange in both DA-APPI and DA-APCI was shown to depend heavily on the solvent flow rate, with best efficiency seen at lowest flow rates studied (0.05 and 0.1 mL/min). Both DA-APCI and DA-APPI showed the radical cation of chlorobenzene at 0.05-0.1 mL/min flow rate, but at increasing flow rate, the abundance of chlorobenzene M+. decreased and reagent ion populations deriving from different gas-phase chemistry were recorded. The formation of these reagent ions explains the decreasing ionization efficiency and the differences in charge exchange between the techniques.

  15. Radiative transfer with scattering for domain-decomposed 3D MHD simulations of cool stellar atmospheres. Numerical methods and application to the quiet, non-magnetic, surface of a solar-type star

    NASA Astrophysics Data System (ADS)

    Hayek, W.; Asplund, M.; Carlsson, M.; Trampedach, R.; Collet, R.; Gudiksen, B. V.; Hansteen, V. H.; Leenaarts, J.

    2010-07-01

    Aims: We present the implementation of a radiative transfer solver with coherent scattering in the new BIFROST code for radiative magneto-hydrodynamical (MHD) simulations of stellar surface convection. The code is fully parallelized using MPI domain decomposition, which allows for large grid sizes and improved resolution of hydrodynamical structures. We apply the code to simulate the surface granulation in a solar-type star, ignoring magnetic fields, and investigate the importance of coherent scattering for the atmospheric structure. Methods: A scattering term is added to the radiative transfer equation, requiring an iterative computation of the radiation field. We use a short-characteristics-based Gauss-Seidel acceleration scheme to compute radiative flux divergences for the energy equation. The effects of coherent scattering are tested by comparing the temperature stratification of three 3D time-dependent hydrodynamical atmosphere models of a solar-type star: without scattering, with continuum scattering only, and with both continuum and line scattering. Results: We show that continuum scattering does not have a significant impact on the photospheric temperature structure for a star like the Sun. Including scattering in line-blanketing, however, leads to a decrease of temperatures by about 350 K below log10 τ5000 ⪉ -4. The effect is opposite to that of 1D hydrostatic models in radiative equilibrium, where scattering reduces the cooling effect of strong LTE lines in the higher layers of the photosphere. Coherent line scattering also changes the temperature distribution in the high atmosphere, where we observe stronger fluctuations compared to a treatment of lines as true absorbers.

  16. Xenobiotic metabolism capacities of human skin in comparison with a 3D epidermis model and keratinocyte-based cell culture as in vitro alternatives for chemical testing: activating enzymes (Phase I).

    PubMed

    Götz, Christine; Pfeiffer, Roland; Tigges, Julia; Blatz, Veronika; Jäckh, Christine; Freytag, Eva-Maria; Fabian, Eric; Landsiedel, Robert; Merk, Hans F; Krutmann, Jean; Edwards, Robert J; Pease, Camilla; Goebel, Carsten; Hewitt, Nicola; Fritsche, Ellen

    2012-05-01

    Skin is important for the absorption and metabolism of exposed chemicals such as cosmetics or pharmaceuticals. The Seventh Amendment to the EU Cosmetics Directive prohibits the use of animals for cosmetic testing for certain endpoints, such as genotoxicity; therefore, there is an urgent need to understand the xenobiotic metabolizing capacities of human skin and to compare these activities with reconstructed 3D skin models developed to replace animal testing. We have measured Phase I enzyme activities of cytochrome P450 (CYP) and cyclooxygenase (COX) in ex vivo human skin, the 3D skin model EpiDerm™ (EPI-200), immortalized keratinocyte-based cell lines and primary normal human epidermal keratinocytes. Our data demonstrate that basal CYP enzyme activities are very low in whole human skin and EPI-200 as well as keratinocytes. In addition, activities in monolayer cells differed from organotypic tissues after induction. COX activity was similar in skin, EPI-200 and NHEK cells, but was significantly lower in immortalized keratinocytes. Hence, the 3D model EPI-200 might represent a more suitable model for dermatotoxicological studies. Altogether, these data help to better understand skin metabolism and expand the knowledge of in vitro alternatives used for dermatotoxicity testing.

  17. Atmospheric chemical and thermal structure evolution after one Titan year

    NASA Astrophysics Data System (ADS)

    Coustenis, Athena; Bampasidis, Georgios; Achterberg, Richard; Lavvas, Panayiotis; Vinatier, Sandrine; Nixon, Conor; Jennings, Donald; Teanby, Nicolas; Flasar, F. Michael; Carlson, Ronald; Orton, Glenn; Romani, Paul; Guandique, Ever

    2013-04-01

    Our radiative transfer code (ARTT) was applied to Cassini Composite Infrared Spectrometer (CIRS) data taken during Titan flybys from 2004-2010 and to the 1980 Voyager 1 flyby values inferred from the re-analysis of the Infrared Radiometer Spectrometer (IRIS) spectra [1], as well as to the intervening ground- and space- based observations (such as with ISO, [2]), providing us with a new view of the stratospheric evolution over a Titanian year (V1 encounter Ls=9° was reached in mid-2010). CIRS nadir and limb spectral [3,4] show variations in temperature and chemical composition in the stratosphere during the Cassini mission, before and after the Northern Spring Equinox (NSE). We find indication for a weakening of the temperature gradient with warming of the stratosphere and cooling of the lower mesosphere. In addition, we infer precise concentrations for the trace gases and their main isotopologues and find that the chemical composition in Titan's stratosphere varied significantly with latitude during the 6 terrestrial years investigated here, with increased mixing ratios towards the northern latitudes. In particular, we find a maximum enhancement of several gases observed at northern latitudes up to 50°N around mid-2009, at the time of the NSE. We find that this raise is followed by a rapid decrease in chemical inventory in 2010 probably due to changes in the cross vortex mixing or northward migration of the vortex boundary [5,6,7] consistent with the weakening thermal gradient. The finding also ties into the location of the maximum temperature gradient, which appears to be moving northward over the winter/spring season. The return of today's abundances close to the Voyager values (at the same season) is an indication that, as for the Earth, the solar radiation dominates over the other energy sources even at 10AU [8]. Nevertheless, the differences observed for some complex hydrocarbons in the North pole indicate that the other processes could be at play as well

  18. The Effects of Lightning NO(x) Production during the July 21 EULINOX Storm studied with a 3-D Cloud-scale Chemical Transport Model

    NASA Technical Reports Server (NTRS)

    Ott, Lesley E.; Pickering, Kenneth E.; Stenchikov, Georgiy L.; Huntrieser, Heidi; Schumann, Ulrich

    2006-01-01

    The July 21,1998 thunderstonn observed during the European Lightning Nitrogen Oxides Project (EULINOX) project was simulated using the three-dimensional Goddard Cumulus Ensemble (GCE) model. The simulation successfully reproduced a number of observed storm features including the splitting of the original cell into a southern cell which developed supercell characteristics, and a northern cell which became multicellular. Output from the GCE simulation was used to drive an offline cloud-scale chemical transport model which calculates tracer transport and includes a parameterization of lightning NO(x) production which uses observed flash rates as input. Estimates of lightning NO(x) production were deduced by assuming various values of production per intracloud and production per cloud-to-ground flash and comparing the results with in-cloud aircraft observations. The assumption that both types of flashes produce 360 moles of NO per flash on average compared most favorably with column mass and probability distribution functions calculated from observations. This assumed production per flash corresponds to a global annual lightning NOx source of 7 Tg N per yr. Chemical reactions were included in the model to evaluate the impact of lightning NO(x), on ozone. During the storm, the inclusion of lightning NOx in the model results in a small loss of ozone (on average less than 4 ppbv) at all model levels. Simulations of the chemical environment in the 24 hours following the storm show on average a small increase in the net production of ozone at most levels resulting from lightning NO(x), maximizing at approximately 5 ppbv per day at 5.5 km. Between 8 and 10.5 km, lightning NO(x) causes decreased net ozone production.

  19. Intraoral 3D scanner

    NASA Astrophysics Data System (ADS)

    Kühmstedt, Peter; Bräuer-Burchardt, Christian; Munkelt, Christoph; Heinze, Matthias; Palme, Martin; Schmidt, Ingo; Hintersehr, Josef; Notni, Gunther

    2007-09-01

    Here a new set-up of a 3D-scanning system for CAD/CAM in dental industry is proposed. The system is designed for direct scanning of the dental preparations within the mouth. The measuring process is based on phase correlation technique in combination with fast fringe projection in a stereo arrangement. The novelty in the approach is characterized by the following features: A phase correlation between the phase values of the images of two cameras is used for the co-ordinate calculation. This works contrary to the usage of only phase values (phasogrammetry) or classical triangulation (phase values and camera image co-ordinate values) for the determination of the co-ordinates. The main advantage of the method is that the absolute value of the phase at each point does not directly determine the coordinate. Thus errors in the determination of the co-ordinates are prevented. Furthermore, using the epipolar geometry of the stereo-like arrangement the phase unwrapping problem of fringe analysis can be solved. The endoscope like measurement system contains one projection and two camera channels for illumination and observation of the object, respectively. The new system has a measurement field of nearly 25mm × 15mm. The user can measure two or three teeth at one time. So the system can by used for scanning of single tooth up to bridges preparations. In the paper the first realization of the intraoral scanner is described.

  20. 'Diamond' in 3-D

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This 3-D, microscopic imager mosaic of a target area on a rock called 'Diamond Jenness' was taken after NASA's Mars Exploration Rover Opportunity ground into the surface with its rock abrasion tool for a second time.

    Opportunity has bored nearly a dozen holes into the inner walls of 'Endurance Crater.' On sols 177 and 178 (July 23 and July 24, 2004), the rover worked double-duty on Diamond Jenness. Surface debris and the bumpy shape of the rock resulted in a shallow and irregular hole, only about 2 millimeters (0.08 inch) deep. The final depth was not enough to remove all the bumps and leave a neat hole with a smooth floor. This extremely shallow depression was then examined by the rover's alpha particle X-ray spectrometer.

    On Sol 178, Opportunity's 'robotic rodent' dined on Diamond Jenness once again, grinding almost an additional 5 millimeters (about 0.2 inch). The rover then applied its Moessbauer spectrometer to the deepened hole. This double dose of Diamond Jenness enabled the science team to examine the rock at varying layers. Results from those grindings are currently being analyzed.

    The image mosaic is about 6 centimeters (2.4 inches) across.

  1. Prominent rocks - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Many prominent rocks near the Sagan Memorial Station are featured in this image, taken in stereo by the Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. Wedge is at lower left; Shark, Half-Dome, and Pumpkin are at center. Flat Top, about four inches high, is at lower right. The horizon in the distance is one to two kilometers away.

    Mars Pathfinder is the second in NASA's Discovery program of low-cost spacecraft with highly focused science goals. The Jet Propulsion Laboratory, Pasadena, CA, developed and manages the Mars Pathfinder mission for NASA's Office of Space Science, Washington, D.C. JPL is an operating division of the California Institute of Technology (Caltech). The Imager for Mars Pathfinder (IMP) was developed by the University of Arizona Lunar and Planetary Laboratory under contract to JPL. Peter Smith is the Principal Investigator.

    Click below to see the left and right views individually. [figure removed for brevity, see original site] Left [figure removed for brevity, see original site] Right

  2. Dynamics of 3D representation of interfaces in UV-induced chemical vapor deposition: experiments, modeling, and simulation for silicon nitride thin layers

    NASA Astrophysics Data System (ADS)

    Flicstein, Jean; Guillonneau, E.; Marquez, Jose; How Kee Chun, L. S.; Maisonneuve, D.; David, C.; Wang, Zh. Z.; Palmier, Jean F.; Courant, J. L.

    2001-06-01

    We study the surface dynamics of silicon nitride films deposited by UV-induced low pressure chemical vapor pressure. Atomic force microscopy measurements show that the surface reaches a scale invariant stationary state coherent wit the Kardar-Parisi-Zhang (KPZ) equation. Discrete geometry techniques are oriented to extra morphological characteristics of surface and bulk which corresponds to computer simulated photodeposit. This allows to determine the physical origin of KPZ scaling to be al ow value of the surface sticking probability, and connected to the surface concentration of activate charged centers, which permits to start the evaluation of the Monte Carlo-molecular dynamics simulator.

  3. [EVALUATION OF CHANGES OF GEOMETRICAL PARAMETERS OF ALGINATE DENTAL IMPRESSIONS DUE TO THE INFLUENCE OF CHEMICAL AND MICROWAVE DISINFECTION METHOD USING 3D TECHNOLOGIES].

    PubMed

    Nespraydko, V P; Shevchuk, V A; Michaylov, A A; Lyseyko, N V

    2015-01-01

    This clinical and laboratory study evaluated the effect of two methods of disinfection in different modes at the volume changes of alginate dental impressions and plaster models poured from them, as compared to the same parameters of plastic master models (PMM), using three-dimensional non-contact laser scanner and software. Immersion chemical disinfection for 15 min, microwave disinfection at 354 W for 10 minutes and combined disinfection with the power of 319 W for 4 minutes did not significantly affect the volumetric dimensional accuracy of the alginate impressions (P > 0.05).

  4. The EISCAT_3D Science Case

    NASA Astrophysics Data System (ADS)

    Tjulin, A.; Mann, I.; McCrea, I.; Aikio, A. T.

    2013-05-01

    EISCAT_3D will be a world-leading international research infrastructure using the incoherent scatter technique to study the atmosphere in the Fenno-Scandinavian Arctic and to investigate how the Earth's atmosphere is coupled to space. The EISCAT_3D phased-array multistatic radar system will be operated by EISCAT Scientific Association and thus be an integral part of an organisation that has successfully been running incoherent scatter radars for more than thirty years. The baseline design of the radar system contains a core site with transmitting and receiving capabilities located close to the intersection of the Swedish, Norwegian and Finnish borders and five receiving sites located within 50 to 250 km from the core. The EISCAT_3D project is currently in its Preparatory Phase and can smoothly transit into implementation in 2014, provided sufficient funding. Construction can start 2016 and first operations in 2018. The EISCAT_3D Science Case is prepared as part of the Preparatory Phase. It is regularly updated with annual new releases, and it aims at being a common document for the whole future EISCAT_3D user community. The areas covered by the Science Case are atmospheric physics and global change; space and plasma physics; solar system research; space weather and service applications; and radar techniques, new methods for coding and analysis. Two of the aims for EISCAT_3D are to understand the ways natural variability in the upper atmosphere, imposed by the Sun-Earth system, can influence the middle and lower atmosphere, and to improve the predictivity of atmospheric models by providing higher resolution observations to replace the current parametrised input. Observations by EISCAT_3D will also be used to monitor the direct effects from the Sun on the ionosphere-atmosphere system and those caused by solar wind magnetosphere-ionosphere interaction. In addition, EISCAT_3D will be used for remote sensing the large-scale behaviour of the magnetosphere from its

  5. Highly-Sensitive Surface-Enhanced Raman Spectroscopy (SERS)-based Chemical Sensor using 3D Graphene Foam Decorated with Silver Nanoparticles as SERS substrate

    PubMed Central

    Srichan, Chavis; Ekpanyapong, Mongkol; Horprathum, Mati; Eiamchai, Pitak; Nuntawong, Noppadon; Phokharatkul, Ditsayut; Danvirutai, Pobporn; Bohez, Erik; Wisitsoraat, Anurat; Tuantranont, Adisorn

    2016-01-01

    In this work, a novel platform for surface-enhanced Raman spectroscopy (SERS)-based chemical sensors utilizing three-dimensional microporous graphene foam (GF) decorated with silver nanoparticles (AgNPs) is developed and applied for methylene blue (MB) detection. The results demonstrate that silver nanoparticles significantly enhance cascaded amplification of SERS effect on multilayer graphene foam (GF). The enhancement factor of AgNPs/GF sensor is found to be four orders of magnitude larger than that of AgNPs/Si substrate. In addition, the sensitivity of the sensor could be tuned by controlling the size of silver nanoparticles. The highest SERS enhancement factor of ∼5 × 104 is achieved at the optimal nanoparticle size of 50 nm. Moreover, the sensor is capable of detecting MB over broad concentration ranges from 1 nM to 100 μM. Therefore, AgNPs/GF is a highly promising SERS substrate for detection of chemical substances with ultra-low concentrations. PMID:27020705

  6. Wearable Atmospheric Pressure Plasma Fabrics Produced by Knitting Flexible Wire Electrodes for the Decontamination of Chemical Warfare Agents

    NASA Astrophysics Data System (ADS)

    Jung, Heesoo; Seo, Jin Ah; Choi, Seungki

    2017-01-01

    One of the key reasons for the limited use of atmospheric pressure plasma (APP) is its inability to treat non-flat, three-dimensional (3D) surface structures, such as electronic devices and the human body, because of the rigid electrode structure required. In this study, a new APP system design—wearable APP (WAPP)—that utilizes a knitting technique to assemble flexible co-axial wire electrodes into a large-area plasma fabric is presented. The WAPP device operates in ambient air with a fully enclosed power electrode and grounded outer electrode. The plasma fabric is flexible and lightweight, and it can be scaled up for larger areas, making it attractive for wearable APP applications. Here, we report the various plasma properties of the WAPP device and successful test results showing the decontamination of toxic chemical warfare agents, namely, mustard (HD), soman (GD), and nerve (VX) agents.

  7. Wearable Atmospheric Pressure Plasma Fabrics Produced by Knitting Flexible Wire Electrodes for the Decontamination of Chemical Warfare Agents.

    PubMed

    Jung, Heesoo; Seo, Jin Ah; Choi, Seungki

    2017-01-18

    One of the key reasons for the limited use of atmospheric pressure plasma (APP) is its inability to treat non-flat, three-dimensional (3D) surface structures, such as electronic devices and the human body, because of the rigid electrode structure required. In this study, a new APP system design-wearable APP (WAPP)-that utilizes a knitting technique to assemble flexible co-axial wire electrodes into a large-area plasma fabric is presented. The WAPP device operates in ambient air with a fully enclosed power electrode and grounded outer electrode. The plasma fabric is flexible and lightweight, and it can be scaled up for larger areas, making it attractive for wearable APP applications. Here, we report the various plasma properties of the WAPP device and successful test results showing the decontamination of toxic chemical warfare agents, namely, mustard (HD), soman (GD), and nerve (VX) agents.

  8. Wearable Atmospheric Pressure Plasma Fabrics Produced by Knitting Flexible Wire Electrodes for the Decontamination of Chemical Warfare Agents

    PubMed Central

    Jung, Heesoo; Seo, Jin Ah; Choi, Seungki

    2017-01-01

    One of the key reasons for the limited use of atmospheric pressure plasma (APP) is its inability to treat non-flat, three-dimensional (3D) surface structures, such as electronic devices and the human body, because of the rigid electrode structure required. In this study, a new APP system design—wearable APP (WAPP)—that utilizes a knitting technique to assemble flexible co-axial wire electrodes into a large-area plasma fabric is presented. The WAPP device operates in ambient air with a fully enclosed power electrode and grounded outer electrode. The plasma fabric is flexible and lightweight, and it can be scaled up for larger areas, making it attractive for wearable APP applications. Here, we report the various plasma properties of the WAPP device and successful test results showing the decontamination of toxic chemical warfare agents, namely, mustard (HD), soman (GD), and nerve (VX) agents. PMID:28098192

  9. Crossed molecular beam studies of atmospheric chemical reaction dynamics

    SciTech Connect

    Zhang, Jingsong

    1993-04-01

    The dynamics of several elementary chemical reactions that are important in atmospheric chemistry are investigated. The reactive scattering of ground state chlorine or bromine atoms with ozone molecules and ground state chlorine atoms with nitrogen dioxide molecules is studied using a crossed molecular beams apparatus with a rotatable mass spectrometer detector. The Cl + O3 → ClO + O2 reaction has been studied at four collision energies ranging from 6 kcal/mole to 32 kcal/mole. The derived product center-of-mass angular and translational energy distributions show that the reaction has a direct reaction mechanism and that there is a strong repulsion on the exit channel. The ClO product is sideways and forward scattered with respect to the Cl atom, and the translational energy release is large. The Cl atom is most likely to attack the terminal oxygen atom of the ozone molecule. The Br + O3 → ClO + O2 reaction has been studied at five collision energies ranging from 5 kcal/mole to 26 kcal/mole. The derived product center-of-mass angular and translational energy distributions are quite similar to those in the Cl + O3 reaction. The Br + O3 reaction has a direct reaction mechanism similar to that of the Cl + O3 reaction. The electronic structure of the ozone molecule seems to play the central role in determining the reaction mechanism in atomic radical reactions with the ozone molecule. The Cl + NO2 → ClO + NO reaction has been studied at three collision energies ranging from 10.6 kcal/mole to 22.4 kcal/mole. The center-of-mass angular distribution has some forward-backward symmetry, and the product translational energy release is quite large. The reaction proceeds through a short-lived complex whose lifetime is less than one rotational period. The experimental results seem to show that the Cl atom mainly attacks the oxygen atom instead of the nitrogen atom of the NO2

  10. Effect of Chemical and Physical Properties on the In Vitro Degradation of 3D Printed High Resolution Poly(propylene fumarate) Scaffolds.

    PubMed

    Walker, Jason M; Bodamer, Emily; Krebs, Olivia; Luo, Yuanyuan; Kleinfehn, Alex; Becker, Matthew L; Dean, David

    2017-04-10

    Two distinct molecular masses of poly(propylene fumarate) (PPF) are combined with an additive manufacturing process to fabricate highly complex scaffolds possessing controlled chemical properties and porous architecture. Scaffolds were manufactured with two polymer molecular masses and two architecture styles. Degradation was assessed in an accelerated in vitro environment. The purpose of the degradation study is not to model or mimic in vivo degradation, but to efficiently compare the effect of modulating scaffold properties. This is the first study addressing degradation of chain-growth synthesized PPF, a process that allows for considerably more control over molecular mass distribution. It demonstrates that, with greater process control, not only is scaffold fabrication reproducible, but the mechanical properties and degradation kinetics can be tailored by altering the physical properties of the scaffold. This is a clear step forward in using PPF to address unmet medical needs while meeting regulatory demands and ultimately obtaining clinical relevancy.

  11. SB3D User Manual, Santa Barbara 3D Radiative Transfer Model

    SciTech Connect

    O'Hirok, William

    1999-01-01

    SB3D is a three-dimensional atmospheric and oceanic radiative transfer model for the Solar spectrum. The microphysics employed in the model are the same as used in the model SBDART. It is assumed that the user of SB3D is familiar with SBDART and IDL. SB3D differs from SBDART in that computations are conducted on media in three-dimensions rather than a single column (i.e. plane-parallel), and a stochastic method (Monte Carlo) is employed instead of a numerical approach (Discrete Ordinates) for estimating a solution to the radiative transfer equation. Because of these two differences between SB3D and SBDART, the input and running of SB3D is more unwieldy and requires compromises between model performance and computational expense. Hence, there is no one correct method for running the model and the user must develop a sense to the proper input and configuration of the model.

  12. Xenobiotic metabolism capacities of human skin in comparison with a 3D-epidermis model and keratinocyte-based cell culture as in vitro alternatives for chemical testing: phase II enzymes.

    PubMed

    Götz, Christine; Pfeiffer, Roland; Tigges, Julia; Ruwiedel, Karsten; Hübenthal, Ulrike; Merk, Hans F; Krutmann, Jean; Edwards, Robert J; Abel, Josef; Pease, Camilla; Goebel, Carsten; Hewitt, Nicola; Fritsche, Ellen

    2012-05-01

    The 7th Amendment to the EU Cosmetics Directive prohibits the use of animals in cosmetic testing for certain endpoints, such as genotoxicity. Therefore, skin in vitro models have to replace chemical testing in vivo. However, the metabolic competence neither of human skin nor of alternative in vitro models has so far been fully characterized, although skin is the first-pass organ for accidentally or purposely (cosmetics and pharmaceuticals) applied chemicals. Thus, there is an urgent need to understand the xenobiotic-metabolizing capacities of human skin and to compare these activities to models developed to replace animal testing. We have measured the activity of the phase II enzymes glutathione S-transferase, UDP-glucuronosyltransferase and N-acetyltransferase in ex vivo human skin, the 3D epidermal model EpiDerm 200 (EPI-200), immortalized keratinocyte-based cell lines (HaCaT and NCTC 2544) and primary normal human epidermal keratinocytes. We show that all three phase II enzymes are present and highly active in skin as compared to phase I. Human skin, therefore, represents a more detoxifying than activating organ. This work systematically compares the activities of three important phase II enzymes in four different in vitro models directly to human skin. We conclude from our studies that 3D epidermal models, like the EPI-200 employed here, are superior over monolayer cultures in mimicking human skin xenobiotic metabolism and thus better suited for dermatotoxicity testing.

  13. The chemical composition and climatology of the earth's early atmosphere

    NASA Technical Reports Server (NTRS)

    Henderson-Sellers, A.

    1983-01-01

    The earth's climate as it relates to the evolution of life is discussed.. Seven fundamental characteristics of the early evolutionary environment are examined, including a carbon dioxide and water vapor atmosphere, atmospheric mass between 500 and 1000 mb, a global hydrosphere, lowered solar luminosity, hospitable average global temperatures, a convectively active atmosphere, and trace gases. The influence of the early earth's extensive hydrosphere on the origin of life is considered. The warming of that hydrosphere due to radiative fluxes and the greenhouse effect is examined, and the nature of the feedback between clouds and climate is addressed.

  14. Chemical stratification in white dwarf atmospheres and envelopes

    NASA Technical Reports Server (NTRS)

    Koester, D.

    1989-01-01

    Theoretical arguments supporting a new mechanism maintaining a homogeneously mixed composition in white dwarf atmospheres with traces of helium are presented. Diffusion time scales, meridional circulation, mass loss, accretion of interstellar matter, convection, and radiative levitation are discussed. Theoretically, layered envelopes, with hydrogen on top of helium and an abundance profile in the transition layer determined by diffusion equilibrium, are expected. In cases with observed helium and hydrogen in the atmosphere this means that the total hydrogen mass must be very small. The empirical evidence for such atmospheres are assessed, using a new grid of model atmospheres with stratified element abundances and applying it to typical mixed abundance cases at the hot end of the white dwarf temperature sequence.

  15. Lévy/Anomalous Diffusion as a Mean-Field Theory for 3D Cloud Effects in SW-RT: Empirical Support, New Analytical Formulation, and Impact on Atmospheric Absorption

    NASA Astrophysics Data System (ADS)

    Pfeilsticker, K.; Davis, A.; Marshak, A.; Suszcynsky, D. M.; Buldryrev, S.; Barker, H.

    2001-12-01

    2-stream RT models, as used in all current GCMs, are mathematically equivalent to standard diffusion theory where the physical picture is a slow propagation of the diffuse radiation by Gaussian random walks. In other words, after the conventional van de Hulst rescaling by 1/(1-g) in R3 and also by (1-g) in t, solar photons follow convoluted fractal trajectories in the atmosphere. For instance, we know that transmitted light is typically scattered about (1-g)τ 2 times while reflected light is scattered on average about τ times, where τ is the optical depth of the column. The space/time spread of this diffusion process is described exactly by a Gaussian distribution; from the statistical physics viewpoint, this follows from the convergence of the sum of many (rescaled) steps between scattering events with a finite variance. This Gaussian picture follows from directly from first principles (the RT equation) under the assumptions of horizontal uniformity and large optical depth, i.e., there is a homogeneous plane-parallel cloud somewhere in the column. The first-order effect of 3D variability of cloudiness, the main source of scattering, is to perturb the distribution of single steps between scatterings which, modulo the '1-g' rescaling, can be assumed effectively isotropic. The most natural generalization of the Gaussian distribution is the 1-parameter family of symmetric Lévy-stable distributions because the sum of many zero-mean random variables with infinite variance, but finite moments of order q < α (0 < α < 2), converge to them. It has been shown on heuristic grounds that for these Lévy-based random walks the typical number of scatterings is now (1-g)τ α for transmitted light. The appearance of a non-rational exponent is why this is referred to as anomalous diffusion. Note that standard/Gaussian diffusion is retrieved in the limit α = 2-. Lévy transport theory has been successfully used in the statistical physics to investigate a wide variety of

  16. Kinetic Monte Carlo models for the study of chemical reactions in the Earth's upper atmosphere

    NASA Astrophysics Data System (ADS)

    Turchak, L. I.; Shematovich, V. I.

    2016-06-01

    A stochastic approach to study the non-equilibrium chemistry in the Earth's upper atmosphere is presented, which has been developed over a number of years. Kinetic Monte Carlo models based on this approach are an effective tool for investigating the role of suprathermal particles both in local variations of the atmospheric chemical composition and in the formation of the hot planetary corona.

  17. Lévy/Anomalous Diffusion as a Mean-Field Theory for 3D Cloud Effects in Shortwave Radiative Transfer: Empirical Support, New Analytical Formulation, and Impact on Atmospheric Absorption

    NASA Astrophysics Data System (ADS)

    Buldyrev, S.; Davis, A.; Marshak, A.; Stanley, H. E.

    2001-12-01

    -of-the-art observations that offer compelling empirical support for the Lévy/anomalous diffusion model in atmospheric radiation: (1) high-resolution spectroscopy of differential absorption in the O2 A-band from ground; (2) temporal transient records of lightning strokes transmitted through clouds to a sensitive detector in space; and (3) the Gamma-distributions of optical depths derived from Landsat cloud scenes at 30-m resolution. We will then introduce a rigorous analytical formulation of Lévy/anomalous transport through finite media based on fractional derivatives and Sonin calculus. A remarkable result from this new theoretical development is an extremal property of the α = 1+ case (divergent mean-free-path), as is observed in the cloudy atmosphere. Finally, we will discuss the implications of anomalous transport theory for bulk 3D effects on the current enhanced absorption problem as well as its role as the basis of a next-generation GCM radiation parameterization.

  18. Effects of Atmospheric Conditions and the Land/Atmospheric Interface on Transport of Chemical Vapors from Subsurface Sources

    NASA Astrophysics Data System (ADS)

    Rice, A. K.; Smits, K. M.; Cihan, A.; Howington, S. E.; Illangasekare, T. H.

    2013-12-01

    Understanding the movement of chemical vapors and gas through variably saturated soil subjected to atmospheric thermal and mass flux boundary conditions at the land/atmospheric interface is important to many applications, including landmine detection, methane leakage during natural gas production from shale and CO2 leakage from deep geologic storage. New, advanced technologies exist to sense chemical signatures and gas leakage at the land/atmosphere interface, but interpretation of sensor signals remains a challenge. Chemical vapors are subject to numerous interactions while migrating through the soil environment, masking source conditions. The process governing movement of gases through porous media is often assumed to be Fickian diffusion through the air phase with minimal quantification of other processes, such as convective gas flow and temporal or spatial variation in soil moisture. Vapor migration is affected by atmospheric conditions (e.g. humidity, temperature, wind velocity), soil thermal and hydraulic properties and contaminant properties, all of which are physically and thermodynamically coupled. The complex coupling of two drastically different flow regimes in the subsurface and atmosphere is commonly ignored in modeling efforts, or simplifying assumptions are made to treat the systems as de-coupled. Experimental data under controlled laboratory settings are lacking to refine the theory for proper coupling and complex treatment of vapor migration through porous media in conversation with atmospheric flow and climate variations. Improving fundamental understanding and accurate quantification of these processes is not feasible in field settings due to lack of controlled initial and boundary conditions and inability to fully characterize the subsurface at all relevant scales. The goal of this work is to understand the influence of changes in atmospheric conditions to transport of vapors through variably saturated soil. We have developed a tank apparatus

  19. 3D Spectroscopy in Astronomy

    NASA Astrophysics Data System (ADS)

    Mediavilla, Evencio; Arribas, Santiago; Roth, Martin; Cepa-Nogué, Jordi; Sánchez, Francisco

    2011-09-01

    Preface; Acknowledgements; 1. Introductory review and technical approaches Martin M. Roth; 2. Observational procedures and data reduction James E. H. Turner; 3. 3D Spectroscopy instrumentation M. A. Bershady; 4. Analysis of 3D data Pierre Ferruit; 5. Science motivation for IFS and galactic studies F. Eisenhauer; 6. Extragalactic studies and future IFS science Luis Colina; 7. Tutorials: how to handle 3D spectroscopy data Sebastian F. Sánchez, Begona García-Lorenzo and Arlette Pécontal-Rousset.

  20. Spherical 3D isotropic wavelets

    NASA Astrophysics Data System (ADS)

    Lanusse, F.; Rassat, A.; Starck, J.-L.

    2012-04-01

    Context. Future cosmological surveys will provide 3D large scale structure maps with large sky coverage, for which a 3D spherical Fourier-Bessel (SFB) analysis in spherical coordinates is natural. Wavelets are particularly well-suited to the analysis and denoising of cosmological data, but a spherical 3D isotropic wavelet transform does not currently exist to analyse spherical 3D data. Aims: The aim of this paper is to present a new formalism for a spherical 3D isotropic wavelet, i.e. one based on the SFB decomposition of a 3D field and accompany the formalism with a public code to perform wavelet transforms. Methods: We describe a new 3D isotropic spherical wavelet decomposition based on the undecimated wavelet transform (UWT) described in Starck et al. (2006). We also present a new fast discrete spherical Fourier-Bessel transform (DSFBT) based on both a discrete Bessel transform and the HEALPIX angular pixelisation scheme. We test the 3D wavelet transform and as a toy-application, apply a denoising algorithm in wavelet space to the Virgo large box cosmological simulations and find we can successfully remove noise without much loss to the large scale structure. Results: We have described a new spherical 3D isotropic wavelet transform, ideally suited to analyse and denoise future 3D spherical cosmological surveys, which uses a novel DSFBT. We illustrate its potential use for denoising using a toy model. All the algorithms presented in this paper are available for download as a public code called MRS3D at http://jstarck.free.fr/mrs3d.html

  1. 3D Elevation Program—Virtual USA in 3D

    USGS Publications Warehouse

    Lukas, Vicki; Stoker, J.M.

    2016-04-14

    The U.S. Geological Survey (USGS) 3D Elevation Program (3DEP) uses a laser system called ‘lidar’ (light detection and ranging) to create a virtual reality map of the Nation that is very accurate. 3D maps have many uses with new uses being discovered all the time.  

  2. DYNAMIC 3D QSAR TECHNIQUES: APPLICATIONS IN TOXICOLOGY

    EPA Science Inventory

    Two dynamic techniques recently developed to account for conformational flexibility of chemicals in 3D QSARs are presented. In addition to the impact of conformational flexibility of chemicals in 3D QSAR models, the applicability of various molecular descriptors is discussed. The...

  3. Hydrogen Atom Collision Processes in Cool Stellar Atmospheres: Effects on Spectral Line Strengths and Measured Chemical Abundances in Old Stars

    NASA Astrophysics Data System (ADS)

    Barklem, Paul S.

    2012-12-01

    The precise measurement of the chemical composition of stars is a fundamental problem relevant to many areas of astrophysics. State-of-the-art approaches attempt to unite accurate descriptions of microphysics, non-local thermodynamic equilibrium (non-LTE) line formation and 3D hydrodynamical model atmospheres. In this paper I review progress in understanding inelastic collisions of hydrogen atoms with other species and their influence on spectral line formation and derived abundances in stellar atmospheres. These collisions are a major source of uncertainty in non-LTE modelling of spectral lines and abundance determinations, especially for old, metal-poor stars, which are unique tracers of the early evolution of our galaxy. Full quantum scattering calculations of direct excitation processes X(nl) + H leftrightarrow X(n'l') + H and charge transfer processes X(nl) + H leftrightarrow X+ + H- have been done for Li, Na and Mg [1,2,3] based on detailed quantum chemical data, e.g. [4]. Rate coefficients have been calculated and applied to non-LTE modelling of spectral lines in stellar atmospheres [5,6,7,8,9]. In all cases we find that charge transfer processes from the first excited S-state are very important, and the processes affect measured abundances for Li, Na and Mg in some stars by as much as 60%. Effects vary with stellar parameters (e.g. temperature, luminosity, metal content) and so these processes are important not only for accurate absolute abundances, but also for relative abundances among dissimilar stars.

  4. Atmospheric Chemistry of Toxic Industrial Chemicals (Briefing Slides)

    DTIC Science & Technology

    2007-01-11

    22 days≥ 188 days≥ 400 days14 daysAcetylene ~4 days35 min36 min4.3 hourstrans- 2 - Butene 5 days205 days≥ 1300 yr5 daysn-Butane Cl [1 x 104 cm- 3 ...REPORT DATE (DD-MM-YYYY) 2 . REPORT TYPE 3 . DATES COVERED (From - To) 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM...identical except that the lower right is accounting for the reactivity of 2 - methyl propene in the atmosphere. I’ve placed two arrows on the map to help

  5. Simple buffers for 3D STORM microscopy.

    PubMed

    Olivier, Nicolas; Keller, Debora; Rajan, Vinoth Sundar; Gönczy, Pierre; Manley, Suliana

    2013-06-01

    3D STORM is one of the leading methods for super-resolution imaging, with resolution down to 10 nm in the lateral direction, and 30-50 nm in the axial direction. However, there is one important requirement to perform this type of imaging: making dye molecules blink. This usually relies on the utilization of complex buffers, containing different chemicals and sensitive enzymatic systems, limiting the reproducibility of the method. We report here that the commercial mounting medium Vectashield can be used for STORM of Alexa-647, and yields images comparable or superior to those obtained with more complex buffers, especially for 3D imaging. We expect that this advance will promote the versatile utilization of 3D STORM by removing one of its entry barriers, as well as provide a more reproducible way to compare optical setups and data processing algorithms.

  6. 3D World Building System

    ScienceCinema

    None

    2016-07-12

    This video provides an overview of the Sandia National Laboratories developed 3-D World Model Building capability that provides users with an immersive, texture rich 3-D model of their environment in minutes using a laptop and color and depth camera.

  7. 3D Buckligami: Digital Matter

    NASA Astrophysics Data System (ADS)

    van Hecke, Martin; de Reus, Koen; Florijn, Bastiaan; Coulais, Corentin

    2014-03-01

    We present a class of elastic structures which exhibit collective buckling in 3D, and create these by a 3D printing/moulding technique. Our structures consist of cubic lattice of anisotropic unit cells, and we show that their mechanical properties are programmable via the orientation of these unit cells.

  8. 3D World Building System

    SciTech Connect

    2013-10-30

    This video provides an overview of the Sandia National Laboratories developed 3-D World Model Building capability that provides users with an immersive, texture rich 3-D model of their environment in minutes using a laptop and color and depth camera.

  9. LLNL-Earth3D

    SciTech Connect

    2013-10-01

    Earth3D is a computer code designed to allow fast calculation of seismic rays and travel times through a 3D model of the Earth. LLNL is using this for earthquake location and global tomography efforts and such codes are of great interest to the Earth Science community.

  10. Market study: 3-D eyetracker

    NASA Technical Reports Server (NTRS)

    1977-01-01

    A market study of a proposed version of a 3-D eyetracker for initial use at NASA's Ames Research Center was made. The commercialization potential of a simplified, less expensive 3-D eyetracker was ascertained. Primary focus on present and potential users of eyetrackers, as well as present and potential manufacturers has provided an effective means of analyzing the prospects for commercialization.

  11. Euro3D Science Conference

    NASA Astrophysics Data System (ADS)

    Walsh, J. R.

    2004-02-01

    The Euro3D RTN is an EU funded Research Training Network to foster the exploitation of 3D spectroscopy in Europe. 3D spectroscopy is a general term for spectroscopy of an area of the sky and derives its name from its two spatial + one spectral dimensions. There are an increasing number of instruments which use integral field devices to achieve spectroscopy of an area of the sky, either using lens arrays, optical fibres or image slicers, to pack spectra of multiple pixels on the sky (``spaxels'') onto a 2D detector. On account of the large volume of data and the special methods required to reduce and analyse 3D data, there are only a few centres of expertise and these are mostly involved with instrument developments. There is a perceived lack of expertise in 3D spectroscopy spread though the astronomical community and its use in the armoury of the observational astronomer is viewed as being highly specialised. For precisely this reason the Euro3D RTN was proposed to train young researchers in this area and develop user tools to widen the experience with this particular type of data in Europe. The Euro3D RTN is coordinated by Martin M. Roth (Astrophysikalisches Institut Potsdam) and has been running since July 2002. The first Euro3D science conference was held in Cambridge, UK from 22 to 23 May 2003. The main emphasis of the conference was, in keeping with the RTN, to expose the work of the young post-docs who are funded by the RTN. In addition the team members from the eleven European institutes involved in Euro3D also presented instrumental and observational developments. The conference was organized by Andy Bunker and held at the Institute of Astronomy. There were over thirty participants and 26 talks covered the whole range of application of 3D techniques. The science ranged from Galactic planetary nebulae and globular clusters to kinematics of nearby galaxies out to objects at high redshift. Several talks were devoted to reporting recent observations with newly

  12. 3D vision system assessment

    NASA Astrophysics Data System (ADS)

    Pezzaniti, J. Larry; Edmondson, Richard; Vaden, Justin; Hyatt, Bryan; Chenault, David B.; Kingston, David; Geulen, Vanilynmae; Newell, Scott; Pettijohn, Brad

    2009-02-01

    In this paper, we report on the development of a 3D vision system consisting of a flat panel stereoscopic display and auto-converging stereo camera and an assessment of the system's use for robotic driving, manipulation, and surveillance operations. The 3D vision system was integrated onto a Talon Robot and Operator Control Unit (OCU) such that direct comparisons of the performance of a number of test subjects using 2D and 3D vision systems were possible. A number of representative scenarios were developed to determine which tasks benefited most from the added depth perception and to understand when the 3D vision system hindered understanding of the scene. Two tests were conducted at Fort Leonard Wood, MO with noncommissioned officers ranked Staff Sergeant and Sergeant First Class. The scenarios; the test planning, approach and protocols; the data analysis; and the resulting performance assessment of the 3D vision system are reported.

  13. 3D printing in dentistry.

    PubMed

    Dawood, A; Marti Marti, B; Sauret-Jackson, V; Darwood, A

    2015-12-01

    3D printing has been hailed as a disruptive technology which will change manufacturing. Used in aerospace, defence, art and design, 3D printing is becoming a subject of great interest in surgery. The technology has a particular resonance with dentistry, and with advances in 3D imaging and modelling technologies such as cone beam computed tomography and intraoral scanning, and with the relatively long history of the use of CAD CAM technologies in dentistry, it will become of increasing importance. Uses of 3D printing include the production of drill guides for dental implants, the production of physical models for prosthodontics, orthodontics and surgery, the manufacture of dental, craniomaxillofacial and orthopaedic implants, and the fabrication of copings and frameworks for implant and dental restorations. This paper reviews the types of 3D printing technologies available and their various applications in dentistry and in maxillofacial surgery.

  14. PLOT3D user's manual

    NASA Technical Reports Server (NTRS)

    Walatka, Pamela P.; Buning, Pieter G.; Pierce, Larry; Elson, Patricia A.

    1990-01-01

    PLOT3D is a computer graphics program designed to visualize the grids and solutions of computational fluid dynamics. Seventy-four functions are available. Versions are available for many systems. PLOT3D can handle multiple grids with a million or more grid points, and can produce varieties of model renderings, such as wireframe or flat shaded. Output from PLOT3D can be used in animation programs. The first part of this manual is a tutorial that takes the reader, keystroke by keystroke, through a PLOT3D session. The second part of the manual contains reference chapters, including the helpfile, data file formats, advice on changing PLOT3D, and sample command files.

  15. Simulating the Atmospheric Impact of Criegee Intermediates: Implementation of new understanding in atmospheric chemical mechanisms

    NASA Astrophysics Data System (ADS)

    Bloss, William; Newland, Mike; Rickard, Andrew; Vereecken, Luc; Evans, Mathew; Munoz, Amalia; Rodenas, Mila

    2016-04-01

    Unsaturated hydrocarbons - alkenes - account for about 90% of global VOC. Stabilized Criegee Intermediates (SCI) are thought to be formed in the atmosphere mainly from reactions of unsaturated hydrocarbons with ozone. SCI have been shown in laboratory and chamber experiments to rapidly oxidise SO2 and NO2, providing a potentially important gas phase oxidation route for these species in the atmosphere. They have also been implicated in the formation of aerosol and organic acids. However, the importance of SCI reactions with traces gases is critically dependent on the relative ratio of the rate constants for the reactions of the SCI with these and other trace gases, with H2O, and for unimolecular decomposition, which vary between SCIs, and between geometric isomers. The selection of reactions and rate constants is critically important in determining the calculated impact of SCI processes upon atmospheric composition and chemistry. Since the recent resurgence in interest in this chemistry, a number of model studies have been performed, with SCI mechanisms of varying comprehensiveness and accuracy, as the understanding of the community has evolved from new laboratory, theoretical and chamber studies, and field observations. Here we present an assessment of the dependence of modelled SCI abundance, behaviour and impacts upon the Criegee mechanism adopted, in the context of (a) the accepted status quo prior to the laboratory and field studies of Welz et al. and Mauldin et al., (b) changes to the SCI mechanism reflecting new kinetics for key bimolecular reactions, e.g. with SO2 and NO2; (c) emerging understanding of the interactions of SCI with water vapour and their unimolecular decomposition and (d) reactions with other atmospheric trace gases. The modelled SCI behaviour is compared with the results from recent chamber studies, and the resulting calculated SCI abundance and impacts evaluated for urban and forested atmospheric boundary layer scenarios.

  16. PLOT3D/AMES, APOLLO UNIX VERSION USING GMR3D (WITHOUT TURB3D)

    NASA Technical Reports Server (NTRS)

    Buning, P.

    1994-01-01

    PLOT3D is an interactive graphics program designed to help scientists visualize computational fluid dynamics (CFD) grids and solutions. Today, supercomputers and CFD algorithms can provide scientists with simulations of such highly complex phenomena that obtaining an understanding of the simulations has become a major problem. Tools which help the scientist visualize the simulations can be of tremendous aid. PLOT3D/AMES offers more functions and features, and has been adapted for more types of computers than any other CFD graphics program. Version 3.6b+ is supported for five computers and graphic libraries. Using PLOT3D, CFD physicists can view their computational models from any angle, observing the physics of problems and the quality of solutions. As an aid in designing aircraft, for example, PLOT3D's interactive computer graphics can show vortices, temperature, reverse flow, pressure, and dozens of other characteristics of air flow during flight. As critical areas become obvious, they can easily be studied more closely using a finer grid. PLOT3D is part of a computational fluid dynamics software cycle. First, a program such as 3DGRAPE (ARC-12620) helps the scientist generate computational grids to model an object and its surrounding space. Once the grids have been designed and parameters such as the angle of attack, Mach number, and Reynolds number have been specified, a "flow-solver" program such as INS3D (ARC-11794 or COS-10019) solves the system of equations governing fluid flow, usually on a supercomputer. Grids sometimes have as many as two million points, and the "flow-solver" produces a solution file which contains density, x- y- and z-momentum, and stagnation energy for each grid point. With such a solution file and a grid file containing up to 50 grids as input, PLOT3D can calculate and graphically display any one of 74 functions, including shock waves, surface pressure, velocity vectors, and particle traces. PLOT3D's 74 functions are organized into

  17. PLOT3D/AMES, APOLLO UNIX VERSION USING GMR3D (WITH TURB3D)

    NASA Technical Reports Server (NTRS)

    Buning, P.

    1994-01-01

    PLOT3D is an interactive graphics program designed to help scientists visualize computational fluid dynamics (CFD) grids and solutions. Today, supercomputers and CFD algorithms can provide scientists with simulations of such highly complex phenomena that obtaining an understanding of the simulations has become a major problem. Tools which help the scientist visualize the simulations can be of tremendous aid. PLOT3D/AMES offers more functions and features, and has been adapted for more types of computers than any other CFD graphics program. Version 3.6b+ is supported for five computers and graphic libraries. Using PLOT3D, CFD physicists can view their computational models from any angle, observing the physics of problems and the quality of solutions. As an aid in designing aircraft, for example, PLOT3D's interactive computer graphics can show vortices, temperature, reverse flow, pressure, and dozens of other characteristics of air flow during flight. As critical areas become obvious, they can easily be studied more closely using a finer grid. PLOT3D is part of a computational fluid dynamics software cycle. First, a program such as 3DGRAPE (ARC-12620) helps the scientist generate computational grids to model an object and its surrounding space. Once the grids have been designed and parameters such as the angle of attack, Mach number, and Reynolds number have been specified, a "flow-solver" program such as INS3D (ARC-11794 or COS-10019) solves the system of equations governing fluid flow, usually on a supercomputer. Grids sometimes have as many as two million points, and the "flow-solver" produces a solution file which contains density, x- y- and z-momentum, and stagnation energy for each grid point. With such a solution file and a grid file containing up to 50 grids as input, PLOT3D can calculate and graphically display any one of 74 functions, including shock waves, surface pressure, velocity vectors, and particle traces. PLOT3D's 74 functions are organized into

  18. Hydrogen atom initiated chemistry. [chemical evolution in planetary atmospheres

    NASA Technical Reports Server (NTRS)

    Hong, J. H.; Becker, R. S.

    1979-01-01

    H Atoms have been created by the photolysis of H2S. These then initiated reactions in mixtures involving acetylene-ammonia-water and ethylene-ammonia-water. In the case of the acetylene system, the products consisted of two amino acids, ethylene and a group of primarily cyclic thio-compounds, but no free sulfur. In the case of the ethylene systems, seven amino acids, including an aromatic one, ethane, free sulfur, and a group of solely linear thio-compounds were produced. Total quantum yields for the production of amino acids were about 3 x 10 to the -5th and about 2 x 10 to the -4th with ethylene and acetylene respectively as carbon substrates. Consideration is given of the mechanism for the formation of some of the products and implications regarding planetary atmosphere chemistry, particularly that of Jupiter, are explored.

  19. Impact of background and atmospheric variability on infrared hyperspectral chemical detection sensitivity

    SciTech Connect

    Sheen, David M.; Gallagher, Neal B.; Sharpe, Steven W.; Anderson, Kevin K.; Schultz, John F.; Shen, Sylvia S.; Lewis, Paul E.

    2003-04-15

    Chemical detection using infrared (IR) hyperspectral imaging systems is often limited by the effects of variability of the scene background emissivity spectra and temperature. Additionally, the atmospheric up-welling and down-welling radiance and transmittance are difficult to estimate from the hyperspectral image data, and may vary across the image. In combination, these background variability effects are referred to as''clutter.'' A study has been undertaken at Pacific Northwest National Laboratory (PNNL) to determine the relative impact of atmospheric variability and background variability on the detection of trace chemical vapors. This study has analyzed Atmospheric Emitted Radiance Interferometer (AERI) data to estimate fluctuations in atmospheric constituents. To allow separation of the effects of background and atmospheric variability, hyperspectral data was synthesized using large sets of simulated atmospheric spectra, measured background emissivity spectra, and measured high-resolution gas absorbance spectra. The atmosphere was simulated using FASCODE in which the constituent gas concentrations and temperatures were varied. These spectral sets were combined synthetically using a physics model to realize a statistical synthetic scene with a plume present in a portion of the image. Noise was added to the image with the level determined by a numerical model of the hyperspectral imaging instrument. The chemical detection performance was determined by applying a matched-filter estimator to both the on-plume and off-plume regions. The detected levels in the off-plume region were then used to determine the noise equivalent concentration pathlength (NECL), which is a measure of the chemical detection sensitivity. The NECL was estimated for numerous gases and for a variety of background and atmospheric conditions to determine the relative impact of instrument noise, background variability, and atmospheric variability.

  20. Chemical synthesis and 1H-NMR 3D structure determination of AgTx2-MTX chimera, a new potential blocker for Kv1.2 channel, derived from MTX and AgTx2 scorpion toxins

    PubMed Central

    Pimentel, Cyril; M'Barek, Sarrah; Visan, Violetta; Grissmer, Stephan; Sampieri, François; Sabatier, Jean-Marc; Darbon, Hervé; Fajloun, Ziad

    2008-01-01

    Agitoxin 2 (AgTx2) is a 38-residue scorpion toxin, cross-linked by three disulfide bridges, which acts on voltage-gated K+ (Kv) channels. Maurotoxin (MTX) is a 34-residue scorpion toxin with an uncommon four-disulfide bridge reticulation, acting on both Ca2+-activated and Kv channels. A 39-mer chimeric peptide, named AgTx2-MTX, was designed from the sequence of the two toxins and chemically synthesized. It encompasses residues 1–5 of AgTx2, followed by the complete sequence of MTX. As established by enzyme cleavage, the new AgTx2-MTX molecule displays half-cystine pairings of the type C1–C5, C2–C6, C3–C7, and C4–C8, which is different from that of MTX. The 3D structure of AgTx2-MTX solved by 1H-NMR, revealed both α-helical and β-sheet structures, consistent with a common α/β scaffold of scorpion toxins. Pharmacological assays of AgTx2-MTX revealed that this new molecule is more potent than both original toxins in blocking rat Kv1.2 channel. Docking simulations, performed with the 3D structure of AgTx2-MTX, confirmed this result and demonstrated the participation of the N-terminal domain of AgTx2 in its increased affinity for Kv1.2 through additional molecular contacts. Altogether, the data indicated that replacement of the N-terminal domain of MTX by the one of AgTx2 in the AgTx2-MTX chimera results in a reorganization of the disulfide bridge arrangement and an increase of affinity to the Kv1.2 channel. PMID:18042681

  1. Chemical synthesis and 1H-NMR 3D structure determination of AgTx2-MTX chimera, a new potential blocker for Kv1.2 channel, derived from MTX and AgTx2 scorpion toxins.

    PubMed

    Pimentel, Cyril; M'Barek, Sarrah; Visan, Violetta; Grissmer, Stephan; Sampieri, François; Sabatier, Jean-Marc; Darbon, Hervé; Fajloun, Ziad

    2008-01-01

    Agitoxin 2 (AgTx2) is a 38-residue scorpion toxin, cross-linked by three disulfide bridges, which acts on voltage-gated K(+) (Kv) channels. Maurotoxin (MTX) is a 34-residue scorpion toxin with an uncommon four-disulfide bridge reticulation, acting on both Ca(2+)-activated and Kv channels. A 39-mer chimeric peptide, named AgTx2-MTX, was designed from the sequence of the two toxins and chemically synthesized. It encompasses residues 1-5 of AgTx2, followed by the complete sequence of MTX. As established by enzyme cleavage, the new AgTx2-MTX molecule displays half-cystine pairings of the type C1-C5, C2-C6, C3-C7, and C4-C8, which is different from that of MTX. The 3D structure of AgTx2-MTX solved by (1)H-NMR, revealed both alpha-helical and beta-sheet structures, consistent with a common alpha/beta scaffold of scorpion toxins. Pharmacological assays of AgTx2-MTX revealed that this new molecule is more potent than both original toxins in blocking rat Kv1.2 channel. Docking simulations, performed with the 3D structure of AgTx2-MTX, confirmed this result and demonstrated the participation of the N-terminal domain of AgTx2 in its increased affinity for Kv1.2 through additional molecular contacts. Altogether, the data indicated that replacement of the N-terminal domain of MTX by the one of AgTx2 in the AgTx2-MTX chimera results in a reorganization of the disulfide bridge arrangement and an increase of affinity to the Kv1.2 channel.

  2. Transport of Chemical Vapors from Subsurface Sources to Atmosphere as Affected by Shallow Subsurface and Atmospheric Conditions

    NASA Astrophysics Data System (ADS)

    Rice, A. K.; Smits, K. M.; Hosken, K.; Schulte, P.; Illangasekare, T. H.

    2012-12-01

    Understanding the movement and modeling of chemical vapor through unsaturated soil in the shallow subsurface when subjected to natural atmospheric thermal and mass flux boundary conditions at the land surface is of importance to applications such as landmine detection and vapor intrusion into subsurface structures. New, advanced technologies exist to sense chemical signatures at the land/atmosphere interface, but interpretation of these sensor signals to make assessment of source conditions remains a challenge. Chemical signatures are subject to numerous interactions while migrating through the unsaturated soil environment, attenuating signal strength and masking contaminant source conditions. The dominant process governing movement of gases through porous media is often assumed to be Fickian diffusion through the air phase with minimal or no quantification of other processes contributing to vapor migration, such as thermal diffusion, convective gas flow due to the displacement of air, expansion/contraction of air due to temperature changes, temporal and spatial variations of soil moisture and fluctuations in atmospheric pressure. Soil water evaporation and interfacial mass transfer add to the complexity of the system. The goal of this work is to perform controlled experiments under transient conditions of soil moisture, temperature and wind at the land/atmosphere interface and use the resulting dataset to test existing theories on subsurface gas flow and iterate between numerical modeling efforts and experimental data. Ultimately, we aim to update conceptual models of shallow subsurface vapor transport to include conditionally significant transport processes and inform placement of mobile sensors and/or networks. We have developed a two-dimensional tank apparatus equipped with a network of sensors and a flow-through head space for simulation of the atmospheric interface. A detailed matrix of realistic atmospheric boundary conditions was applied in a series of

  3. Unassisted 3D camera calibration

    NASA Astrophysics Data System (ADS)

    Atanassov, Kalin; Ramachandra, Vikas; Nash, James; Goma, Sergio R.

    2012-03-01

    With the rapid growth of 3D technology, 3D image capture has become a critical part of the 3D feature set on mobile phones. 3D image quality is affected by the scene geometry as well as on-the-device processing. An automatic 3D system usually assumes known camera poses accomplished by factory calibration using a special chart. In real life settings, pose parameters estimated by factory calibration can be negatively impacted by movements of the lens barrel due to shaking, focusing, or camera drop. If any of these factors displaces the optical axes of either or both cameras, vertical disparity might exceed the maximum tolerable margin and the 3D user may experience eye strain or headaches. To make 3D capture more practical, one needs to consider unassisted (on arbitrary scenes) calibration. In this paper, we propose an algorithm that relies on detection and matching of keypoints between left and right images. Frames containing erroneous matches, along with frames with insufficiently rich keypoint constellations, are detected and discarded. Roll, pitch yaw , and scale differences between left and right frames are then estimated. The algorithm performance is evaluated in terms of the remaining vertical disparity as compared to the maximum tolerable vertical disparity.

  4. A microfluidic device for 2D to 3D and 3D to 3D cell navigation

    NASA Astrophysics Data System (ADS)

    Shamloo, Amir; Amirifar, Leyla

    2016-01-01

    Microfluidic devices have received wide attention and shown great potential in the field of tissue engineering and regenerative medicine. Investigating cell response to various stimulations is much more accurate and comprehensive with the aid of microfluidic devices. In this study, we introduced a microfluidic device by which the matrix density as a mechanical property and the concentration profile of a biochemical factor as a chemical property could be altered. Our microfluidic device has a cell tank and a cell culture chamber to mimic both 2D to 3D and 3D to 3D migration of three types of cells. Fluid shear stress is negligible on the cells and a stable concentration gradient can be obtained by diffusion. The device was designed by a numerical simulation so that the uniformity of the concentration gradients throughout the cell culture chamber was obtained. Adult neural cells were cultured within this device and they showed different branching and axonal navigation phenotypes within varying nerve growth factor (NGF) concentration profiles. Neural stem cells were also cultured within varying collagen matrix densities while exposed to NGF concentrations and they experienced 3D to 3D collective migration. By generating vascular endothelial growth factor concentration gradients, adult human dermal microvascular endothelial cells also migrated in a 2D to 3D manner and formed a stable lumen within a specific collagen matrix density. It was observed that a minimum absolute concentration and concentration gradient were required to stimulate migration of all types of the cells. This device has the advantage of changing multiple parameters simultaneously and is expected to have wide applicability in cell studies.

  5. 3D Scan Systems Integration

    DTIC Science & Technology

    2007-11-02

    AGENCY USE ONLY (Leave Blank) 2. REPORT DATE 5 Feb 98 4. TITLE AND SUBTITLE 3D Scan Systems Integration REPORT TYPE AND DATES COVERED...2-89) Prescribed by ANSI Std. Z39-1 298-102 [ EDO QUALITY W3PECTEDI DLA-ARN Final Report for US Defense Logistics Agency on DDFG-T2/P3: 3D...SCAN SYSTEMS INTEGRATION Contract Number SPO100-95-D-1014 Contractor Ohio University Delivery Order # 0001 Delivery Order Title 3D Scan Systems

  6. Chemical structure of the deep atmosphere of Jupiter

    NASA Technical Reports Server (NTRS)

    Barshay, S. S.; Lewis, J. S.

    1978-01-01

    Equilibrium abundances calculated for a system of over 500 compounds of 27 selected elements along a nominal Jupiter adiabat are reported. Several species predicted to be of negligible abundance in the visible upper troposphere if chemical equilibrium is exactly attained are found to be potential tracers of rapid vertical motions. Vertical mixing of certain species, especially CO, PH3, AsH3, GeS, and GeH4, may provide detectable quantities of these species near the visible cloudtops due to quenching and incomplete equilibration of the rapidly rising, rapidly cooling gas. Observational prospects for detecting such tracers of deep circulation are discussed in the light of the spectroscopic detection of CO in the 5-micron window on Jupiter and the confirmation of PH3 on both Jupiter and Saturn.

  7. 3D polymer scaffold arrays.

    PubMed

    Simon, Carl G; Yang, Yanyin; Dorsey, Shauna M; Ramalingam, Murugan; Chatterjee, Kaushik

    2011-01-01

    We have developed a combinatorial platform for fabricating tissue scaffold arrays that can be used for screening cell-material interactions. Traditional research involves preparing samples one at a time for characterization and testing. Combinatorial and high-throughput (CHT) methods lower the cost of research by reducing the amount of time and material required for experiments by combining many samples into miniaturized specimens. In order to help accelerate biomaterials research, many new CHT methods have been developed for screening cell-material interactions where materials are presented to cells as a 2D film or surface. However, biomaterials are frequently used to fabricate 3D scaffolds, cells exist in vivo in a 3D environment and cells cultured in a 3D environment in vitro typically behave more physiologically than those cultured on a 2D surface. Thus, we have developed a platform for fabricating tissue scaffold libraries where biomaterials can be presented to cells in a 3D format.

  8. Autofocus for 3D imaging

    NASA Astrophysics Data System (ADS)

    Lee-Elkin, Forest

    2008-04-01

    Three dimensional (3D) autofocus remains a significant challenge for the development of practical 3D multipass radar imaging. The current 2D radar autofocus methods are not readily extendable across sensor passes. We propose a general framework that allows a class of data adaptive solutions for 3D auto-focus across passes with minimal constraints on the scene contents. The key enabling assumption is that portions of the scene are sparse in elevation which reduces the number of free variables and results in a system that is simultaneously solved for scatterer heights and autofocus parameters. The proposed method extends 2-pass interferometric synthetic aperture radar (IFSAR) methods to an arbitrary number of passes allowing the consideration of scattering from multiple height locations. A specific case from the proposed autofocus framework is solved and demonstrates autofocus and coherent multipass 3D estimation across the 8 passes of the "Gotcha Volumetric SAR Data Set" X-Band radar data.

  9. Combinatorial 3D Mechanical Metamaterials

    NASA Astrophysics Data System (ADS)

    Coulais, Corentin; Teomy, Eial; de Reus, Koen; Shokef, Yair; van Hecke, Martin

    2015-03-01

    We present a class of elastic structures which exhibit 3D-folding motion. Our structures consist of cubic lattices of anisotropic unit cells that can be tiled in a complex combinatorial fashion. We design and 3d-print this complex ordered mechanism, in which we combine elastic hinges and defects to tailor the mechanics of the material. Finally, we use this large design space to encode smart functionalities such as surface patterning and multistability.

  10. From 3D view to 3D print

    NASA Astrophysics Data System (ADS)

    Dima, M.; Farisato, G.; Bergomi, M.; Viotto, V.; Magrin, D.; Greggio, D.; Farinato, J.; Marafatto, L.; Ragazzoni, R.; Piazza, D.

    2014-08-01

    In the last few years 3D printing is getting more and more popular and used in many fields going from manufacturing to industrial design, architecture, medical support and aerospace. 3D printing is an evolution of bi-dimensional printing, which allows to obtain a solid object from a 3D model, realized with a 3D modelling software. The final product is obtained using an additive process, in which successive layers of material are laid down one over the other. A 3D printer allows to realize, in a simple way, very complex shapes, which would be quite difficult to be produced with dedicated conventional facilities. Thanks to the fact that the 3D printing is obtained superposing one layer to the others, it doesn't need any particular work flow and it is sufficient to simply draw the model and send it to print. Many different kinds of 3D printers exist based on the technology and material used for layer deposition. A common material used by the toner is ABS plastics, which is a light and rigid thermoplastic polymer, whose peculiar mechanical properties make it diffusely used in several fields, like pipes production and cars interiors manufacturing. I used this technology to create a 1:1 scale model of the telescope which is the hardware core of the space small mission CHEOPS (CHaracterising ExOPlanets Satellite) by ESA, which aims to characterize EXOplanets via transits observations. The telescope has a Ritchey-Chrétien configuration with a 30cm aperture and the launch is foreseen in 2017. In this paper, I present the different phases for the realization of such a model, focusing onto pros and cons of this kind of technology. For example, because of the finite printable volume (10×10×12 inches in the x, y and z directions respectively), it has been necessary to split the largest parts of the instrument in smaller components to be then reassembled and post-processed. A further issue is the resolution of the printed material, which is expressed in terms of layers

  11. Analysis of stereoelectronic properties, mechanism of action and pharmacophore of synthetic indolo[2,1-b]quinazoline-6,12-dione derivatives in relation to antileishmanial activity using quantum chemical, cyclic voltammetry and 3-D-QSAR CATALYST procedures.

    PubMed

    Bhattacharjee, Apurba K; Skanchy, David J; Jennings, Barton; Hudson, Thomas H; Brendle, James J; Werbovetz, Karl A

    2002-06-01

    Several indolo[2,1-b]quinazoline-6,12-dione (tryptanthrin) derivatives exhibited remarkable activity at concentrations below 100 ng/mL when tested against in vitro Leishmania donovani amastigotes. The in vitro toxicity studies indicate that the compounds are fairly well tolerated in both macrophage and neuronal lines. An analysis based on qualitative and quantitative structure-activity relationship studies between in vitro antileishmanial activity and molecular electronic structure of 27 analogues of indolo[2,1-b]quinazoline-6,12-dione is presented here by using a combination of semi-empirical AM1 quantum chemical, cyclic voltammetry and a pharmacophore generation (CATALYST) methods. A modest to good correlation is observed between activity and a few calculated molecular properties such as molecular density, octanol-water partition coefficient, molecular orbital energies, and redox potentials. Electron transfer seems to be a plausible path in the mechanism of action of the compounds. A pharmacophore generated by using the 3-D QSAR of CATALYST produced a fairly accurate predictive model of antileishmanial activity of the tryptanthrins. The validity of the pharmacophore model extends to structurally different class of compounds that could open new frontiers for study. The carbonyl group of the five- and six-membered rings in the indolo[2,1-b]quinazoline-6,12-dione skeleton and the electron transfer ability to the carbonyl atom appear to be crucial for activity.

  12. 3D Cell Culture in Alginate Hydrogels

    PubMed Central

    Andersen, Therese; Auk-Emblem, Pia; Dornish, Michael

    2015-01-01

    This review compiles information regarding the use of alginate, and in particular alginate hydrogels, in culturing cells in 3D. Knowledge of alginate chemical structure and functionality are shown to be important parameters in design of alginate-based matrices for cell culture. Gel elasticity as well as hydrogel stability can be impacted by the type of alginate used, its concentration, the choice of gelation technique (ionic or covalent), and divalent cation chosen as the gel inducing ion. The use of peptide-coupled alginate can control cell–matrix interactions. Gelation of alginate with concomitant immobilization of cells can take various forms. Droplets or beads have been utilized since the 1980s for immobilizing cells. Newer matrices such as macroporous scaffolds are now entering the 3D cell culture product market. Finally, delayed gelling, injectable, alginate systems show utility in the translation of in vitro cell culture to in vivo tissue engineering applications. Alginate has a history and a future in 3D cell culture. Historically, cells were encapsulated in alginate droplets cross-linked with calcium for the development of artificial organs. Now, several commercial products based on alginate are being used as 3D cell culture systems that also demonstrate the possibility of replacing or regenerating tissue. PMID:27600217

  13. Met.3D - a new open-source tool for interactive 3D visualization of ensemble weather forecasts

    NASA Astrophysics Data System (ADS)

    Rautenhaus, Marc; Kern, Michael; Schäfler, Andreas; Westermann, Rüdiger

    2015-04-01

    We introduce Met.3D, a new open-source tool for the interactive 3D visualization of numerical ensemble weather predictions. The tool has been developed to support weather forecasting during aircraft-based atmospheric field campaigns, however, is applicable to further forecasting, research and teaching activities. Our work approaches challenging topics related to the visual analysis of numerical atmospheric model output -- 3D visualisation, ensemble visualization, and how both can be used in a meaningful way suited to weather forecasting. Met.3D builds a bridge from proven 2D visualization methods commonly used in meteorology to 3D visualization by combining both visualization types in a 3D context. It implements methods that address the issue of spatial perception in the 3D view as well as approaches to using the ensemble in order to assess forecast uncertainty. Interactivity is key to the Met.3D approach. The tool uses modern graphics hardware technology to achieve interactive visualization of present-day numerical weather prediction datasets on standard consumer hardware. Met.3D supports forecast data from the European Centre for Medium Range Weather Forecasts and operates directly on ECMWF hybrid sigma-pressure level grids. In this presentation, we provide an overview of the software --illustrated with short video examples--, and give information on its availability.

  14. YouDash3D: exploring stereoscopic 3D gaming for 3D movie theaters

    NASA Astrophysics Data System (ADS)

    Schild, Jonas; Seele, Sven; Masuch, Maic

    2012-03-01

    Along with the success of the digitally revived stereoscopic cinema, events beyond 3D movies become attractive for movie theater operators, i.e. interactive 3D games. In this paper, we present a case that explores possible challenges and solutions for interactive 3D games to be played by a movie theater audience. We analyze the setting and showcase current issues related to lighting and interaction. Our second focus is to provide gameplay mechanics that make special use of stereoscopy, especially depth-based game design. Based on these results, we present YouDash3D, a game prototype that explores public stereoscopic gameplay in a reduced kiosk setup. It features live 3D HD video stream of a professional stereo camera rig rendered in a real-time game scene. We use the effect to place the stereoscopic effigies of players into the digital game. The game showcases how stereoscopic vision can provide for a novel depth-based game mechanic. Projected trigger zones and distributed clusters of the audience video allow for easy adaptation to larger audiences and 3D movie theater gaming.

  15. 3D visualization of polymer nanostructure

    SciTech Connect

    Werner, James H

    2009-01-01

    Soft materials and structured polymers are extremely useful nanotechnology building blocks. Block copolymers, in particular, have served as 2D masks for nanolithography and 3D scaffolds for photonic crystals, nanoparticle fabrication, and solar cells. F or many of these applications, the precise 3 dimensional structure and the number and type of defects in the polymer is important for ultimate function. However, directly visualizing the 3D structure of a soft material from the nanometer to millimeter length scales is a significant technical challenge. Here, we propose to develop the instrumentation needed for direct 3D structure determination at near nanometer resolution throughout a nearly millimeter-cubed volume of a soft, potentially heterogeneous, material. This new capability will be a valuable research tool for LANL missions in chemistry, materials science, and nanoscience. Our approach to soft materials visualization builds upon exciting developments in super-resolution optical microscopy that have occurred over the past two years. To date, these new, truly revolutionary, imaging methods have been developed and almost exclusively used for biological applications. However, in addition to biological cells, these super-resolution imaging techniques hold extreme promise for direct visualization of many important nanostructured polymers and other heterogeneous chemical systems. Los Alamos has a unique opportunity to lead the development of these super-resolution imaging methods for problems of chemical rather than biological significance. While these optical methods are limited to systems transparent to visible wavelengths, we stress that many important functional chemicals such as polymers, glasses, sol-gels, aerogels, or colloidal assemblies meet this requirement, with specific examples including materials designed for optical communication, manipulation, or light-harvesting Our Research Goals are: (1) Develop the instrumentation necessary for imaging materials

  16. Response of the global climate to changes in atmospheric chemical composition due to fossil fuel burning

    NASA Technical Reports Server (NTRS)

    Hameed, S.; Cess, R. D.; Hogan, J. S.

    1980-01-01

    Recent modeling of atmospheric chemical processes (Logan et al, 1978; Hameed et al, 1979) suggests that tropospheric ozone and methane might significantly increase in the future as the result of increasing anthropogenic emissions of CO, NO(x), and CH4 due to fossil fuel burning. Since O3 and CH4 are both greenhouse gases, increases in their concentrations could augment global warming due to larger future amounts of atmospheric CO2. To test the possible climatic impact of changes in tropospheric chemical composition, a zonal energy-balance climate model has been combined with a vertically averaged tropospheric chemical model. The latter model includes all relevant chemical reactions which affect species derived from H2O, O2, CH4, and NO(x). The climate model correspondingly incorporates changes in the infrared heating of the surface-troposphere system resulting from chemically induced changes in tropospheric ozone and methane. This coupled climate-chemical model indicates that global climate is sensitive to changes in emissions of CO, NO(x) and CH4, and that future increases in these emissions could augment global warming due to increasing atmospheric CO2.

  17. Speaking Volumes About 3-D

    NASA Technical Reports Server (NTRS)

    2002-01-01

    In 1999, Genex submitted a proposal to Stennis Space Center for a volumetric 3-D display technique that would provide multiple users with a 360-degree perspective to simultaneously view and analyze 3-D data. The futuristic capabilities of the VolumeViewer(R) have offered tremendous benefits to commercial users in the fields of medicine and surgery, air traffic control, pilot training and education, computer-aided design/computer-aided manufacturing, and military/battlefield management. The technology has also helped NASA to better analyze and assess the various data collected by its satellite and spacecraft sensors. Genex capitalized on its success with Stennis by introducing two separate products to the commercial market that incorporate key elements of the 3-D display technology designed under an SBIR contract. The company Rainbow 3D(R) imaging camera is a novel, three-dimensional surface profile measurement system that can obtain a full-frame 3-D image in less than 1 second. The third product is the 360-degree OmniEye(R) video system. Ideal for intrusion detection, surveillance, and situation management, this unique camera system offers a continuous, panoramic view of a scene in real time.

  18. Macrophage podosomes go 3D.

    PubMed

    Van Goethem, Emeline; Guiet, Romain; Balor, Stéphanie; Charrière, Guillaume M; Poincloux, Renaud; Labrousse, Arnaud; Maridonneau-Parini, Isabelle; Le Cabec, Véronique

    2011-01-01

    Macrophage tissue infiltration is a critical step in the immune response against microorganisms and is also associated with disease progression in chronic inflammation and cancer. Macrophages are constitutively equipped with specialized structures called podosomes dedicated to extracellular matrix (ECM) degradation. We recently reported that these structures play a critical role in trans-matrix mesenchymal migration mode, a protease-dependent mechanism. Podosome molecular components and their ECM-degrading activity have been extensively studied in two dimensions (2D), but yet very little is known about their fate in three-dimensional (3D) environments. Therefore, localization of podosome markers and proteolytic activity were carefully examined in human macrophages performing mesenchymal migration. Using our gelled collagen I 3D matrix model to obligate human macrophages to perform mesenchymal migration, classical podosome markers including talin, paxillin, vinculin, gelsolin, cortactin were found to accumulate at the tip of F-actin-rich cell protrusions together with β1 integrin and CD44 but not β2 integrin. Macrophage proteolytic activity was observed at podosome-like protrusion sites using confocal fluorescence microscopy and electron microscopy. The formation of migration tunnels by macrophages inside the matrix was accomplished by degradation, engulfment and mechanic compaction of the matrix. In addition, videomicroscopy revealed that 3D F-actin-rich protrusions of migrating macrophages were as dynamic as their 2D counterparts. Overall, the specifications of 3D podosomes resembled those of 2D podosome rosettes rather than those of individual podosomes. This observation was further supported by the aspect of 3D podosomes in fibroblasts expressing Hck, a master regulator of podosome rosettes in macrophages. In conclusion, human macrophage podosomes go 3D and take the shape of spherical podosome rosettes when the cells perform mesenchymal migration. This work

  19. 3D Printed Bionic Nanodevices.

    PubMed

    Kong, Yong Lin; Gupta, Maneesh K; Johnson, Blake N; McAlpine, Michael C

    2016-06-01

    The ability to three-dimensionally interweave biological and functional materials could enable the creation of bionic devices possessing unique and compelling geometries, properties, and functionalities. Indeed, interfacing high performance active devices with biology could impact a variety of fields, including regenerative bioelectronic medicines, smart prosthetics, medical robotics, and human-machine interfaces. Biology, from the molecular scale of DNA and proteins, to the macroscopic scale of tissues and organs, is three-dimensional, often soft and stretchable, and temperature sensitive. This renders most biological platforms incompatible with the fabrication and materials processing methods that have been developed and optimized for functional electronics, which are typically planar, rigid and brittle. A number of strategies have been developed to overcome these dichotomies. One particularly novel approach is the use of extrusion-based multi-material 3D printing, which is an additive manufacturing technology that offers a freeform fabrication strategy. This approach addresses the dichotomies presented above by (1) using 3D printing and imaging for customized, hierarchical, and interwoven device architectures; (2) employing nanotechnology as an enabling route for introducing high performance materials, with the potential for exhibiting properties not found in the bulk; and (3) 3D printing a range of soft and nanoscale materials to enable the integration of a diverse palette of high quality functional nanomaterials with biology. Further, 3D printing is a multi-scale platform, allowing for the incorporation of functional nanoscale inks, the printing of microscale features, and ultimately the creation of macroscale devices. This blending of 3D printing, novel nanomaterial properties, and 'living' platforms may enable next-generation bionic systems. In this review, we highlight this synergistic integration of the unique properties of nanomaterials with the

  20. Flow Tube Studies of Gas Phase Chemical Processes of Atmospheric Importance

    NASA Technical Reports Server (NTRS)

    Molina, Mario J.

    1997-01-01

    The objective of this project is to conduct measurements of elementary reaction rate constants and photochemistry parameters for processes of importance in the atmosphere. These measurements are being carried out under temperature and pressure conditions covering those applicable to the stratosphere and upper troposphere, using the chemical ionization mass spectrometry turbulent flow technique developed in our laboratory.

  1. Spatial Variations of Chemical Abundances in Titan's Atmosphere as Revealed by ALMA

    NASA Astrophysics Data System (ADS)

    Thelen, Alexander E.; Nixon, Conor; Chanover, Nancy J.; Molter, Edward; Serigano, Joseph; Cordiner, Martin; Charnley, Steven B.; Teanby, Nicholas A.; Irwin, Patrick

    2016-10-01

    Complex organic molecules in Titan's atmosphere - formed through the dissociation of N2 and CH4 - exhibit latitudinal variations in abundance as observed by Cassini. Chemical species including hydrocarbons - such as CH3CCH - and nitriles - HCN, HC3N, CH3CN, and C2H5CN - may show spatial abundance variations as a result of atmospheric circulation, photochemical production and subsequent destruction throughout Titan's seasonal cycle. Recent calibration images of Titan taken by the Atacama Large Millimeter/Submillimeter Array (ALMA) with beam sizes of ~0.3'' allow for measurements of rotational transition lines of these species in spatially resolved regions of Titan's disk. We present abundance profiles obtained from public ALMA data taken in 2014, as Titan transitioned into northern summer. Abundance profiles in Titan's lower/middle atmosphere were retrieved by modeling high resolution ALMA spectra using the Non-linear Optimal Estimator for MultivariatE Spectral analySIS (NEMESIS) radiative transfer code. These retrievals were performed using spatial temperature profiles obtained by modeling strong CO lines from datasets taken in similar times with comparable resolution. We compare the abundance variations of chemical species to measurements made using Cassini data. Comparisons of chemical species with strong abundance enhancements over the poles will inform our knowledge of chemical lifetimes in Titan's atmosphere, and allow us to observe the important changes in production and circulation of numerous organic molecules which are attributed to Titan's seasons.

  2. Atmospheric aerosols: A literature summary of their physical characteristics and chemical composition

    NASA Technical Reports Server (NTRS)

    Harris, F. S., Jr.

    1976-01-01

    This report contains a summary of 199 recent references on the characterization of atmospheric aerosols with respect to their composition, sources, size distribution, and time changes, and with particular reference to the chemical elements measured by modern techniques, especially activation analysis.

  3. Petal, terrain & airbags - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Portions of the lander's deflated airbags and a petal are at the lower area of this image, taken in stereo by the Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. The metallic object at lower right is part of the lander's low-gain antenna. This image is part of a 3D 'monster

    Click below to see the left and right views individually. [figure removed for brevity, see original site] Left [figure removed for brevity, see original site] Right

  4. 3D Computations and Experiments

    SciTech Connect

    Couch, R; Faux, D; Goto, D; Nikkel, D

    2004-04-05

    This project consists of two activities. Task A, Simulations and Measurements, combines all the material model development and associated numerical work with the materials-oriented experimental activities. The goal of this effort is to provide an improved understanding of dynamic material properties and to provide accurate numerical representations of those properties for use in analysis codes. Task B, ALE3D Development, involves general development activities in the ALE3D code with the focus of improving simulation capabilities for problems of mutual interest to DoD and DOE. Emphasis is on problems involving multi-phase flow, blast loading of structures and system safety/vulnerability studies.

  5. 3D Structures of Responsive Nanocompartmentalized Microgels.

    PubMed

    Gelissen, Arjan P H; Oppermann, Alex; Caumanns, Tobias; Hebbeker, Pascal; Turnhoff, Sarah K; Tiwari, Rahul; Eisold, Sabine; Simon, Ulrich; Lu, Yan; Mayer, Joachim; Richtering, Walter; Walther, Andreas; Wöll, Dominik

    2016-11-09

    Compartmentalization in soft matter is important for segregating and coordinating chemical reactions, sequestering (re)active components, and integrating multifunctionality. Advances depend crucially on quantitative 3D visualization in situ with high spatiotemporal resolution. Here, we show the direct visualization of different compartments within adaptive microgels using a combination of in situ electron and super-resolved fluorescence microscopy. We unravel new levels of structural details and address the challenge of reconstructing 3D information from 2D projections for nonuniform soft matter as opposed to monodisperse proteins. Moreover, we visualize the thermally induced shrinkage of responsive core-shell microgels live in water. This strategy opens doors for systematic in situ studies of soft matter systems and their application as smart materials.

  6. The World of 3-D.

    ERIC Educational Resources Information Center

    Mayshark, Robin K.

    1991-01-01

    Students explore three-dimensional properties by creating red and green wall decorations related to Christmas. Students examine why images seem to vibrate when red and green pieces are small and close together. Instructions to conduct the activity and construct 3-D glasses are given. (MDH)

  7. 3D Printing: Exploring Capabilities

    ERIC Educational Resources Information Center

    Samuels, Kyle; Flowers, Jim

    2015-01-01

    As 3D printers become more affordable, schools are using them in increasing numbers. They fit well with the emphasis on product design in technology and engineering education, allowing students to create high-fidelity physical models to see and test different iterations in their product designs. They may also help students to "think in three…

  8. SNL3dFace

    SciTech Connect

    Russ, Trina; Koch, Mark; Koudelka, Melissa; Peters, Ralph; Little, Charles; Boehnen, Chris; Peters, Tanya

    2007-07-20

    This software distribution contains MATLAB and C++ code to enable identity verification using 3D images that may or may not contain a texture component. The code is organized to support system performance testing and system capability demonstration through the proper configuration of the available user interface. Using specific algorithm parameters the face recognition system has been demonstrated to achieve a 96.6% verification rate (Pd) at 0.001 false alarm rate. The system computes robust facial features of a 3D normalized face using Principal Component Analysis (PCA) and Fisher Linear Discriminant Analysis (FLDA). A 3D normalized face is obtained by alighning each face, represented by a set of XYZ coordinated, to a scaled reference face using the Iterative Closest Point (ICP) algorithm. The scaled reference face is then deformed to the input face using an iterative framework with parameters that control the deformed surface regulation an rate of deformation. A variety of options are available to control the information that is encoded by the PCA. Such options include the XYZ coordinates, the difference of each XYZ coordinates from the reference, the Z coordinate, the intensity/texture values, etc. In addition to PCA/FLDA feature projection this software supports feature matching to obtain similarity matrices for performance analysis. In addition, this software supports visualization of the STL, MRD, 2D normalized, and PCA synthetic representations in a 3D environment.

  9. Making Inexpensive 3-D Models

    ERIC Educational Resources Information Center

    Manos, Harry

    2016-01-01

    Visual aids are important to student learning, and they help make the teacher's job easier. Keeping with the "TPT" theme of "The Art, Craft, and Science of Physics Teaching," the purpose of this article is to show how teachers, lacking equipment and funds, can construct a durable 3-D model reference frame and a model gravity…

  10. 3D printing in chemistry: past, present and future

    NASA Astrophysics Data System (ADS)

    Shatford, Ryan; Karanassios, Vassili

    2016-05-01

    During the last years, 3d printing for rapid prototyping using additive manufacturing has been receiving increased attention in the technical and scientific literature including some Chemistry-related journals. Furthermore, 3D printing technology (defining size and resolution of 3D objects) and properties of printed materials (e.g., strength, resistance to chemical attack, electrical insulation) proved to be important for chemistry-related applications. In this paper these are discussed in detail. In addition, application of 3D printing for development of Micro Plasma Devices (MPDs) is discussed and 2d-profilometry data of a 3D printed surfaces is reported. And, past and present chemistry and bio-related applications of 3D printing are reviewed and possible future directions are postulated.

  11. 3D Printed Molecules and Extended Solid Models for Teaching Symmetry and Point Groups

    ERIC Educational Resources Information Center

    Scalfani, Vincent F.; Vaid, Thomas P.

    2014-01-01

    Tangible models help students and researchers visualize chemical structures in three dimensions (3D). 3D printing offers a unique and straightforward approach to fabricate plastic 3D models of molecules and extended solids. In this article, we prepared a series of digital 3D design files of molecular structures that will be useful for teaching…

  12. TACO3D. 3-D Finite Element Heat Transfer Code

    SciTech Connect

    Mason, W.E.

    1992-03-04

    TACO3D is a three-dimensional, finite-element program for heat transfer analysis. An extension of the two-dimensional TACO program, it can perform linear and nonlinear analyses and can be used to solve either transient or steady-state problems. The program accepts time-dependent or temperature-dependent material properties, and materials may be isotropic or orthotropic. A variety of time-dependent and temperature-dependent boundary conditions and loadings are available including temperature, flux, convection, and radiation boundary conditions and internal heat generation. Additional specialized features treat enclosure radiation, bulk nodes, and master/slave internal surface conditions (e.g., contact resistance). Data input via a free-field format is provided. A user subprogram feature allows for any type of functional representation of any independent variable. A profile (bandwidth) minimization option is available. The code is limited to implicit time integration for transient solutions. TACO3D has no general mesh generation capability. Rows of evenly-spaced nodes and rows of sequential elements may be generated, but the program relies on separate mesh generators for complex zoning. TACO3D does not have the ability to calculate view factors internally. Graphical representation of data in the form of time history and spatial plots is provided through links to the POSTACO and GRAPE postprocessor codes.

  13. Detailed Chemical Characterization of Unresolved Complex Mixtures (UCM) inAtmospheric Organics: Insights into Emission Sources, Atmospheric Processing andSecondary Organic Aerosol Formation

    EPA Science Inventory

    Recent studies suggest that semivolatile organic compounds (SVOCs) are important precursors to secondary organic aerosol (SOA) in urban atmospheres. However, knowledge of the chemical composition of SVOCs is limited by current analytical techniques, which are typically unable to...

  14. Advanced Modeling Techniques to Study Anthropogenic Influences on Atmospheric Chemical Budgets

    NASA Technical Reports Server (NTRS)

    Mathur, Rohit

    1997-01-01

    This research work is a collaborative effort between research groups at MCNC and the University of North Carolina at Chapel Hill. The overall objective of this research is to improve the level of understanding of the processes that determine the budgets of chemically and radiatively active compounds in the atmosphere through development and application of advanced methods for calculating the chemical change in atmospheric models. The research performed during the second year of this project focused on four major aspects: (1) The continued development and refinement of multiscale modeling techniques to address the issue of the disparate scales of the physico-chemical processes that govern the fate of atmospheric pollutants; (2) Development and application of analysis methods utilizing process and mass balance techniques to increase the interpretive powers of atmospheric models and to aid in complementary analysis of model predictions and observations; (3) Development of meteorological and emission inputs for initial application of the chemistry/transport model over the north Atlantic region; and, (4) The continued development and implementation of a totally new adaptive chemistry representation that changes the details of what is represented as the underlying conditions change.

  15. A systematic retrieval analysis of secondary eclipse spectra. III. Diagnosing chemical disequilibrium in planetary atmospheres

    SciTech Connect

    Line, Michael R.; Yung, Yuk L.

    2013-12-10

    Chemical disequilibrium has recently become a relevant topic in the study of the atmospheres of transiting extrasolar planets, brown dwarfs, and directly imaged exoplanets. We present a new way of assessing whether or not a Jovian-like atmosphere is in chemical disequilibrium from observations of detectable or inferred gases such as H{sub 2}O, CH{sub 4}, CO, and H{sub 2}. Our hypothesis, based on previous kinetic modeling studies, is that cooler atmospheres will show stronger signs of disequilibrium than hotter atmospheres. We verify this with chemistry-transport models and show that planets with temperatures less than ∼1200 K are likely to show the strongest signs of disequilibrium due to the vertical quenching of CO, and that our new approach is able to capture this process. We also find that in certain instances a planetary composition may appear in equilibrium when it actually is not due to the degeneracy in the shape of the vertical mixing ratio profiles. We determine the state of disequilibrium in eight exoplanets using the results from secondary eclipse temperature and abundance retrievals. We find that all of the planets in our sample are consistent with thermochemical equilibrium to within 3σ. Future observations are needed to further constrain the abundances in order to definitively identify disequilibrium in exoplanet atmospheres.

  16. Tests of the higher order turbulence model for atmospheric circulations (HOTMAC) at Deseret Chemical Depot

    SciTech Connect

    Costigan, K.R.

    1998-11-01

    Deseret Chemical Depot is one of the US Army`s storage facilities for its stockpile of chemical weapon agents. Congress has directed the Department of Defense to eliminate the aging stockpiles, which have existed since the end of World War II, and the US Army is destroying these lethal chemical munitions. Although the danger is slight, accurate predictions of the wind field in the valley are necessary for dispersion calculations in the event of an accident involving toxic chemicals at the depot. There are several small communities in Rush and Tooele valleys, including the town of Tooele, and Salt Lake City is located 65 km to the Northeast of Deseret Chemical Depot South area, at 1,300 m MSL and beyond the Oquirrh Mountains. The purpose of this report is to carry out three-dimensional numerical simulations of the atmospheric circulations in the region around Deseret Chemical Depot with the Higher Order Turbulence Model for Atmospheric Circulations (HOTMAC) and to evaluate the performance of the model. The code had been modified to assimilate local meteorological observations through the use of Newtonian nudging. The nudging scheme takes advantage of the extensive network of local observations in the valley.

  17. Three Compact, Robust Chemical Characterization Systems Suited To Sensitive, High Time Resolution Measurements Of Atmospheric Aerosols

    NASA Astrophysics Data System (ADS)

    Barrie, L. A.; Cowin, J. P.; Worsnop, D. R.

    2001-12-01

    In the past decade, the advancement of compact, robust and sensitive instrumentation to measure the chemical characteristics of atmospheric aerosols has lagged behind their physical characterization. There is a need for chemical instrumentation with these three qualities for use on airborne platforms and at infrequently attended ground level surveillance sites. Now chemical techniques are appearing that promise to fill this need. We discuss three chemical characterization systems that are emerging in atmospheric chemistry and climate research applications. These are: (i) the Aerodyne mass spectrometer for real time measurement of particle composition and two post-collection analysis techniques (ii) non-destructive, multi-elemental chemical analysis of size-resolved samples by high spatial resolution synchrotron x-ray and proton beams (S-XRF/PIXE/PESA/STIM) (iii) single particle characterization by automated scanning electron microscopy with energy-dispersed detection of X-rays (SEM/EDX). The key to post-collection analysis is automated aerosol sizing and collection systems and automated chemical analysis systems. Together these techniques provide unique, comprehensive information on the organic and inorganic composition and morphology of particles and yet are easy to deploy in the field. The sensitivity of each technique is high enough to permit the rapid sampling needed to resolve spatial gradients in composition from a moving platform like the Battelle Gulfstream-159 aircraft, traveling at 100m/s.

  18. Introductory lecture: atmospheric organic aerosols: insights from the combination of measurements and chemical transport models.

    PubMed

    Pandis, Spyros N; Donahue, Neil M; Murphy, Benjamin N; Riipinen, Ilona; Fountoukis, Christos; Karnezi, Eleni; Patoulias, David; Skyllakou, Ksakousti

    2013-01-01

    The formation, atmospheric evolution, properties, and removal of organic particulate matter remain some of the least understood aspects of atmospheric chemistry despite the importance of organic aerosol (OA) for both human health and climate change. Here, we summarize our recent efforts to deal with the chemical complexity of the tens of thousands of organic compounds in the atmosphere using the volatility-oxygen content framework (often called the 2D-Volatility Basis Set, 2D-VBS). Our current ability to measure the ambient OA concentration as a function of its volatility and oxygen to carbon (O:C) ratio is evaluated. The combination of a thermodenuder, isothermal dilution and Aerosol Mass Spectrometry (AMS) together with a mathematical aerosol dynamics model is a promising approach. The development of computational modules based on the 2D-VBS that can be used in chemical transport models (CTMs) is described. Approaches of different complexity are tested against ambient observations, showing the challenge of simulating the complex chemical evolution of atmospheric OA. The results of the simplest approach describing the net change due to functionalization and fragmentation are quite encouraging, reproducing both the observed OA levels and O : C in a variety of conditions. The same CTM coupled with source-apportionment algorithms can be used to gain insights into the travel distances and age of atmospheric OA. We estimate that the average age of OA near the ground in continental locations is 1-2 days and most of it was emitted (either as precursor vapors or particles) hundreds of kilometers away. Condensation of organic vapors on fresh particles is critical for the growth of these new particles to larger sizes and eventually to cloud condensation nuclei (CCN) sizes. The semivolatile organics currently simulated by CTMs are too volatile to condense on these tiny particles with high curvature. We show that chemical aging reactions converting these semivolatile

  19. MSV3d: database of human MisSense Variants mapped to 3D protein structure.

    PubMed

    Luu, Tien-Dao; Rusu, Alin-Mihai; Walter, Vincent; Ripp, Raymond; Moulinier, Luc; Muller, Jean; Toursel, Thierry; Thompson, Julie D; Poch, Olivier; Nguyen, Hoan

    2012-01-01

    The elucidation of the complex relationships linking genotypic and phenotypic variations to protein structure is a major challenge in the post-genomic era. We present MSV3d (Database of human MisSense Variants mapped to 3D protein structure), a new database that contains detailed annotation of missense variants of all human proteins (20 199 proteins). The multi-level characterization includes details of the physico-chemical changes induced by amino acid modification, as well as information related to the conservation of the mutated residue and its position relative to functional features in the available or predicted 3D model. Major releases of the database are automatically generated and updated regularly in line with the dbSNP (database of Single Nucleotide Polymorphism) and SwissVar releases, by exploiting the extensive Décrypthon computational grid resources. The database (http://decrypthon.igbmc.fr/msv3d) is easily accessible through a simple web interface coupled to a powerful query engine and a standard web service. The content is completely or partially downloadable in XML or flat file formats. Database URL: http://decrypthon.igbmc.fr/msv3d.

  20. Chemical interactions between the present-day Martian atmosphere and surface minerals

    NASA Technical Reports Server (NTRS)

    Prinn, Ronald; Fegley, Bruce

    1987-01-01

    Thermochemical and photochemical reactions between surface minerals and present-day atmospheric constituents are predicted to produce microscopic effects on the surfaces of mineral grains. Relevant reactions hypothesized in the literature include conversions of silicates and volcanic glasses to clay minerals, conversion of ferrous to ferric compounds, and formation of carbonates, nitrates, and sulfates. These types of surface-atmosphere interactions are important for addressing issues such as chemical weathering of minerals, biological potential of the surface environment, and atmospheric stability in both present and past Martian epochs. It is emphasized that the product of these reactions will be observable and interpretable on the microscopic surface layers of Martian surface rocks using modern techniques with obvious implications for sample return from Mars. Macroscopic products of chemical weathering reactions in past Martian epochs are also expected in Martian surface material. These products are expected not only as a result of reactions similar to those proceeding today but also due to aqueous reactions in past epochs in which liquid water was putatively present. It may prove very difficult or impossible however to determine definitively from the relic macroscopic product alone either the exact weathering process which led to its formation or the identity of its weathered parent mineral. The enormous advantages of studying Martian chemical weathering by investigating the microscopic products of present-day chemical reactions on sample surfaces are very apparent.

  1. Laboratory analogues simulating Titan's atmospheric aerosols: Compared chemical compositions of grains and thin films

    NASA Astrophysics Data System (ADS)

    Carrasco, Nathalie; Jomard, François; Vigneron, Jackie; Etcheberry, Arnaud; Cernogora, Guy

    2016-09-01

    Two sorts of solid organic samples can be produced in laboratory experiments simulating Titan's atmospheric reactivity: grains in the volume and thin films on the reactor walls. We expect that grains are more representative of Titan's atmospheric aerosols, but films are used to provide optical indices for radiative models of Titan's atmosphere. The aim of the present study is to address if these two sorts of analogues are chemically equivalent or not, when produced in the same N2-CH4 plasma discharge. The chemical compositions of both these materials are measured by using elemental analysis, XPS analysis and Secondary Ion Mass Spectrometry. The main parameter probed is the CH4/N2 ratio to explore various possible chemical regimes. We find that films are homogeneous but significantly less rich in nitrogen and hydrogen than grains produced in the same experimental conditions. This surprising difference in their chemical compositions could be explained by the efficient etching occurring on the films, which stay in the discharge during the whole plasma duration, whereas the grains are ejected after a few minutes. The higher nitrogen content in the grains possibly involves a higher optical absorption than the one measured on the films, with a possible impact on Titan's radiative models.

  2. Preliminary survey of propulsion using chemical energy stored in the upper atmosphere

    NASA Technical Reports Server (NTRS)

    Baldwin, Lionel V; Blackshear, Perry L

    1958-01-01

    Ram-jet cycles that use the chemical energy of dissociated oxygen for propulsion in the ionosphere are presented. After a review of the properties and compositions of the upper atmosphere, the external drag, recombination kinetics, and aerodynamic-heating problems of an orbiting ram jet are analyzed. The study indicates that the recombination ram jet might be useful for sustaining a satellite at an altitude of about 60 miles. Atmospheric composition and recombination-rate coefficients were too uncertain for more definite conclusions. The ram jet is a marginal device even in the optimistic view.

  3. Gas-Surface Chemical Exchange in the Near-surface Atmosphere of Europa

    NASA Astrophysics Data System (ADS)

    Shematovich, V. I.; Johnson, R. E.; Cooper, J. F.

    2002-12-01

    The very tenuous O2 atmosphere of Europa is a near-surface (or surface-bounded) atmosphere [1]. It is produced by the radiolysis of Europa's surface due to exposure to solar ultraviolet radiation and energetic magnetospheric plasma ions and electrons. Earlier we developed a collisional Monte Carlo model of Europa's atmosphere [2] accounting for adsorption, thermalization and re-emission of condensed O2, a stable decomposition product of H2O radiolysis. Dissociation and ionization by magnetospheric electron and solar UV-photon impact, and collisional ejection from the atmosphere by the low energy plasma were also taken into account. It was found that to account for the production of oxygen emission observed by HST [3] larger surface fluxes of O2 are required than those assumed in earlier work from measured fluxes of magnetospheric particles [4]. This has since been shown to be due to the fact that radiolysis is occurring in a regolith and not on a laboratory surface [5]. In this report we present the results of an expanded Monte Carlo model of Europa's atmosphere. In this model the sublimation and sputtering sources of H2O molecules and their molecular fragments are also included. Therefore, we account for water and oxygen photochemistry in the near surface atmospheric region and for adsorption-desorption of radiolytic water products onto the satellite surface. This expanded model allowed us to emphasize the important role of chemical exchange in the atmosphere-surface interface of Europa. The numerical modeling of chemical composition in both the near-surface gas-phase boundary region and the satellite surface provides a more complete accounting of the chemical pathways occurring in the icy satellite surface material following decomposition by the solar ultraviolet radiation and the energetic magnetospheric plasma. The model will eventually be expanded to include the effect of the release of trace amounts of SO2 and CO2 that are trapped in the surface ice. [1

  4. Forensic 3D scene reconstruction

    NASA Astrophysics Data System (ADS)

    Little, Charles Q.; Small, Daniel E.; Peters, Ralph R.; Rigdon, J. B.

    2000-05-01

    Traditionally law enforcement agencies have relied on basic measurement and imaging tools, such as tape measures and cameras, in recording a crime scene. A disadvantage of these methods is that they are slow and cumbersome. The development of a portable system that can rapidly record a crime scene with current camera imaging, 3D geometric surface maps, and contribute quantitative measurements such as accurate relative positioning of crime scene objects, would be an asset to law enforcement agents in collecting and recording significant forensic data. The purpose of this project is to develop a fieldable prototype of a fast, accurate, 3D measurement and imaging system that would support law enforcement agents to quickly document and accurately record a crime scene.

  5. 3D Printed Robotic Hand

    NASA Technical Reports Server (NTRS)

    Pizarro, Yaritzmar Rosario; Schuler, Jason M.; Lippitt, Thomas C.

    2013-01-01

    Dexterous robotic hands are changing the way robots and humans interact and use common tools. Unfortunately, the complexity of the joints and actuations drive up the manufacturing cost. Some cutting edge and commercially available rapid prototyping machines now have the ability to print multiple materials and even combine these materials in the same job. A 3D model of a robotic hand was designed using Creo Parametric 2.0. Combining "hard" and "soft" materials, the model was printed on the Object Connex350 3D printer with the purpose of resembling as much as possible the human appearance and mobility of a real hand while needing no assembly. After printing the prototype, strings where installed as actuators to test mobility. Based on printing materials, the manufacturing cost of the hand was $167, significantly lower than other robotic hands without the actuators since they have more complex assembly processes.

  6. Comparing swimsuits in 3D.

    PubMed

    van Geer, Erik; Molenbroek, Johan; Schreven, Sander; deVoogd-Claessen, Lenneke; Toussaint, Huib

    2012-01-01

    In competitive swimming, suits have become more important. These suits influence friction, pressure and wave drag. Friction drag is related to the surface properties whereas both pressure and wave drag are greatly influenced by body shape. To find a relationship between the body shape and the drag, the anthropometry of several world class female swimmers wearing different suits was accurately defined using a 3D scanner and traditional measuring methods. The 3D scans delivered more detailed information about the body shape. On the same day the swimmers did performance tests in the water with the tested suits. Afterwards the result of the performance tests and the differences found in body shape was analyzed to determine the deformation caused by a swimsuit and its effect on the swimming performance. Although the amount of data is limited because of the few test subjects, there is an indication that the deformation of the body influences the swimming performance.

  7. Forensic 3D Scene Reconstruction

    SciTech Connect

    LITTLE,CHARLES Q.; PETERS,RALPH R.; RIGDON,J. BRIAN; SMALL,DANIEL E.

    1999-10-12

    Traditionally law enforcement agencies have relied on basic measurement and imaging tools, such as tape measures and cameras, in recording a crime scene. A disadvantage of these methods is that they are slow and cumbersome. The development of a portable system that can rapidly record a crime scene with current camera imaging, 3D geometric surface maps, and contribute quantitative measurements such as accurate relative positioning of crime scene objects, would be an asset to law enforcement agents in collecting and recording significant forensic data. The purpose of this project is to develop a feasible prototype of a fast, accurate, 3D measurement and imaging system that would support law enforcement agents to quickly document and accurately record a crime scene.

  8. 3D-graphite structure

    SciTech Connect

    Belenkov, E. A. Ali-Pasha, V. A.

    2011-01-15

    The structure of clusters of some new carbon 3D-graphite phases have been calculated using the molecular-mechanics methods. It is established that 3D-graphite polytypes {alpha}{sub 1,1}, {alpha}{sub 1,3}, {alpha}{sub 1,5}, {alpha}{sub 2,1}, {alpha}{sub 2,3}, {alpha}{sub 3,1}, {beta}{sub 1,2}, {beta}{sub 1,4}, {beta}{sub 1,6}, {beta}{sub 2,1}, and {beta}{sub 3,2} consist of sp{sup 2}-hybridized atoms, have hexagonal unit cells, and differ in regards to the structure of layers and order of their alternation. A possible way to experimentally synthesize new carbon phases is proposed: the polymerization and carbonization of hydrocarbon molecules.

  9. Investigation of chemical properties and transport phenomena associated with pollutants in the atmospheric boundary layer

    NASA Astrophysics Data System (ADS)

    Holmes, Heather A.

    Under the Clean Air Act, the U.S. Environmental Protection Agency is required to determine which air pollutants are harmful to human health, then regulate, monitor and establish criteria levels for these pollutants. To accomplish this and for scientific advancement, integration of knowledge from several disciplines is required including: engineering, atmospheric science, chemistry and public health. Recently, a shift has been made to establish interdisciplinary research groups to better understand the atmospheric processes that govern the transport of pollutants and chemical reactions of species in the atmospheric boundary layer (ABL). The primary reason for interdisciplinary collaboration is the need for atmospheric processes to be treated as a coupled system, and to design experiments that measure meteorological, chemical and physical variables simultaneously so forecasting models can be improved (i.e., meteorological and chemical process models). This dissertation focuses on integrating research disciplines to provide a more complete framework to study pollutants in the ABL. For example, chemical characterization of particulate matter (PM) and the physical processes governing PM distribution and mixing are combined to provide more comprehensive data for source apportionment. Data from three field experiments were utilized to study turbulence, meteorological and chemical parameters in the ABL. Two air quality field studies were conducted on the U.S./Mexico border. The first was located in Yuma, AZ to investigate the spatial and temporal variability of PM in an urban environment and relate chemical properties of ambient aerosols to physical findings. The second border air quality study was conducted in Nogales, Sonora, Mexico to investigate the relationship between indoor and outdoor air quality in order to better correlate cooking fuel types and home activities to elevated indoor PM concentrations. The final study was executed in southern Idaho and focused on

  10. [Real time 3D echocardiography

    NASA Technical Reports Server (NTRS)

    Bauer, F.; Shiota, T.; Thomas, J. D.

    2001-01-01

    Three-dimensional representation of the heart is an old concern. Usually, 3D reconstruction of the cardiac mass is made by successive acquisition of 2D sections, the spatial localisation and orientation of which require complex guiding systems. More recently, the concept of volumetric acquisition has been introduced. A matricial emitter-receiver probe complex with parallel data processing provides instantaneous of a pyramidal 64 degrees x 64 degrees volume. The image is restituted in real time and is composed of 3 planes (planes B and C) which can be displaced in all spatial directions at any time during acquisition. The flexibility of this system of acquisition allows volume and mass measurement with greater accuracy and reproducibility, limiting inter-observer variability. Free navigation of the planes of investigation allows reconstruction for qualitative and quantitative analysis of valvular heart disease and other pathologies. Although real time 3D echocardiography is ready for clinical usage, some improvements are still necessary to improve its conviviality. Then real time 3D echocardiography could be the essential tool for understanding, diagnosis and management of patients.

  11. GPU-Accelerated Denoising in 3D (GD3D)

    SciTech Connect

    2013-10-01

    The raw computational power GPU Accelerators enables fast denoising of 3D MR images using bilateral filtering, anisotropic diffusion, and non-local means. This software addresses two facets of this promising application: what tuning is necessary to achieve optimal performance on a modern GPU? And what parameters yield the best denoising results in practice? To answer the first question, the software performs an autotuning step to empirically determine optimal memory blocking on the GPU. To answer the second, it performs a sweep of algorithm parameters to determine the combination that best reduces the mean squared error relative to a noiseless reference image.

  12. GESAMP Working Group 38, The Atmospheric Input of Chemicals to the Ocean

    NASA Astrophysics Data System (ADS)

    Duce, Robert; Liss, Peter

    2014-05-01

    There is growing recognition of the impact of the atmospheric input of both natural and anthropogenic substances on ocean chemistry, biology, and biogeochemistry as well as climate. These inputs are closely related to a number of important global change issues. For example, the increasing input of anthropogenic nitrogen species from the atmosphere to much of the ocean may cause a low level fertilization that could result in an increase in marine 'new' productivity of up to ~3% and thus impact carbon drawdown from the atmosphere. Similarly, much of the oceanic iron, which is a limiting nutrient in significant areas of the ocean, originates from the atmospheric input of minerals as a result of the long-range transport of mineral dust from continental regions. The increased supply of soluble phosphorus from atmospheric anthropogenic sources (through large-scale use of fertilizers) may also have a significant impact on surface-ocean biogeochemistry, but estimates of any effects are highly uncertain. There have been few assessments of the atmospheric inputs of sulfur and nitrogen oxides to the ocean and their impact on the rates of ocean acidification. These inputs may be particularly critical in heavily trafficked shipping lanes and in ocean regions proximate to highly industrialized land areas. Other atmospheric substances may also have an impact on the ocean, in particular lead, cadmium, and POPs. To address these and related issues the United Nations Group of Experts on the Scientific Aspects of Marine Environmental Protection (GESAMP) initiated Working Group 38, The Atmospheric Input of Chemicals to the Ocean, in 2008. This Working Group has had four meetings. To date four peer reviewed papers have been produced from this effort, with a least eight others in the process of being written or published. This paper will discuss some of the results of the Working Group's deliberations and its plans for possible future work.

  13. Magmatic Systems in 3-D

    NASA Astrophysics Data System (ADS)

    Kent, G. M.; Harding, A. J.; Babcock, J. M.; Orcutt, J. A.; Bazin, S.; Singh, S.; Detrick, R. S.; Canales, J. P.; Carbotte, S. M.; Diebold, J.

    2002-12-01

    Multichannel seismic (MCS) images of crustal magma chambers are ideal targets for advanced visualization techniques. In the mid-ocean ridge environment, reflections originating at the melt-lens are well separated from other reflection boundaries, such as the seafloor, layer 2A and Moho, which enables the effective use of transparency filters. 3-D visualization of seismic reflectivity falls into two broad categories: volume and surface rendering. Volumetric-based visualization is an extremely powerful approach for the rapid exploration of very dense 3-D datasets. These 3-D datasets are divided into volume elements or voxels, which are individually color coded depending on the assigned datum value; the user can define an opacity filter to reject plotting certain voxels. This transparency allows the user to peer into the data volume, enabling an easy identification of patterns or relationships that might have geologic merit. Multiple image volumes can be co-registered to look at correlations between two different data types (e.g., amplitude variation with offsets studies), in a manner analogous to draping attributes onto a surface. In contrast, surface visualization of seismic reflectivity usually involves producing "fence" diagrams of 2-D seismic profiles that are complemented with seafloor topography, along with point class data, draped lines and vectors (e.g. fault scarps, earthquake locations and plate-motions). The overlying seafloor can be made partially transparent or see-through, enabling 3-D correlations between seafloor structure and seismic reflectivity. Exploration of 3-D datasets requires additional thought when constructing and manipulating these complex objects. As numbers of visual objects grow in a particular scene, there is a tendency to mask overlapping objects; this clutter can be managed through the effective use of total or partial transparency (i.e., alpha-channel). In this way, the co-variation between different datasets can be investigated

  14. Stratospheric Sampling and In Situ Atmospheric Chemical Element Analysis During Meteor Showers: A Resource Study

    NASA Technical Reports Server (NTRS)

    Noever, David A.

    2000-01-01

    Resources studies for asteroidal mining evaluation have depended historically on remote sensing analysis for chemical elements. During the November 1998 Leonids meteor shower, a stratospheric balloon and various low-density capture media were used to sample fragments from Comet Tempel-Tuttle debris during a peak Earth crossing. The analysis not only demonstrates how potential sampling strategies may improve the projections for metals or rare elements in astromining, but also benchmarks materials during low temperature (-60 F), high dessication environments as seen during atmospheric exposure. The results indicate high aluminum, magnesium and iron content for various sampled particles recovered, but generalization to the sporadic meteors expected from asteroidal sources will require future improvements in larger sampling volumes before a broad-use strategy for chemical analysis can be described. A repeat of the experimental procedure is planned for the November 1999 Leonids' shower, and various improvements for atmospheric sampling will be discussed.

  15. Endocrine disrupting chemicals in the atmosphere: Their effects on humans and wildlife.

    PubMed

    Annamalai, Jayshree; Namasivayam, Vasudevan

    2015-03-01

    Endocrine disrupting chemicals (EDCs) are exogenous agents that interfere or disrupt the normal synthesis, secretion, transportation, binding and metabolism of natural hormones; eventually dysregulating homeostatic mechanisms, reproduction and development. They are emitted into the atmosphere during anthropogenic activities and physicochemical reactions in nature. Inhalation of these EDCs as particulate and gaseous vapors triggers their interaction with endocrine glands and exerts agonist or antagonists actions at hormone receptors. The endocrine disruption at nanogram levels of EDC's has gained concern in the last decade, due to infertility among men and women, early puberty, obesity, diabetes and cancer. Thus, the review explores the literature that addresses the major occurring EDCs in the atmosphere including phthalates, polychlorinated biphenyls (PCBs), polycyclic aromatic hydrocarbons (PAHs), brominated flame retardants (BFRs), dioxins, alkylphenols (APs) and perfluorinated chemicals (PFCs). Sources, fate, half-life, mechanism, measured concentrations in air, bioaccumulation in tissues, laboratory exposures correlating to toxicological effects of these EDCs in humans and wildlife are discussed.

  16. Middle atmosphere heating by exothermic chemical reactions involving odd-hydrogen species

    NASA Technical Reports Server (NTRS)

    Mlynczak, Martin G.; Solomon, Susan

    1991-01-01

    The rate of heating which occurs in the middle atmosphere due to four exothermic reactions involving members of the odd-hydrogen family is calculated. The following reactions are considered: O + OH yields O2 + H; H + O2 + M yields HO2 + M; H + O3 yields OH + O2; and O + HO2 yields OH + O2. It is shown that the heating rates due to these reactions rival the oxygen-related heating rates conventionally considered in middle-atmosphere models. The conversion of chemical potential energy into molecular translational energy (heat) by these odd-hydrogen reactions is shown to be a significant energy source in the middle atmosphere that has not been previously considered.

  17. The puzzling chemical composition of GJ 436B'S atmosphere: Influence of tidal heating on the chemistry

    SciTech Connect

    Agúndez, Marcelino; Selsis, Franck; Venot, Olivia; Iro, Nicolas

    2014-02-01

    The dissipation of the tidal energy deposited on eccentric planets may induce a heating of the planet that affects its atmospheric thermal structure. Here we study the influence of tidal heating on the atmospheric composition of the eccentric (e = 0.16) 'hot Neptune' GJ 436b, for which inconclusive chemical abundances are retrieved from multiwavelength photometric observations carried out during primary transit and secondary eclipse. We build up a one-dimensional model of GJ 436b's atmosphere in the vertical direction and compute the pressure-temperature and molecular abundances profiles for various plausible internal temperatures of the planet (up to 560 K) and metallicities (from solar to 100 times solar), using a radiative-convective model and a chemical model which includes thermochemical kinetics, vertical mixing, and photochemistry. We find that the CO/CH{sub 4} abundance ratio increases with metallicity and tidal heating, and ranges from 1/20 to 1000 within the ranges of metallicity and internal temperature explored. Water vapor locks most of the oxygen and reaches a very high abundance, whatever the metallicity and internal temperature of the planet. The CO{sub 2}/H{sub 2}O abundance ratio increases dramatically with metallicity, and takes values between 10{sup –5}-10{sup –4} with solar elemental abundances and ∼0.1 for a metallicity 100 times solar. None of the atmospheric models based on solid physical and chemical grounds provide a fully satisfactory agreement with available observational data, although the comparison of calculated spectra and observations seems to point to models with a high metallicity and efficient tidal heating, in which high CO/CH{sub 4} abundance ratios and warm temperatures in the dayside atmosphere are favored.

  18. Untangling the Chemical Evolution of Titan's Atmosphere and Surface -- From Homogeneous to Heterogeneous Chemistry

    SciTech Connect

    Kaiser, Ralf I.; Maksyutenko, Pavlo; Ennis, Courtney; Zhang, Fangtong; Gu, Xibin; Krishtal, Sergey P.; Mebel, Alexander M.; Kostko, Oleg; Ahmed, Musahid

    2010-03-16

    The arrival of the Cassini-Huygens probe at Saturn's moon Titan - the only Solar System body besides Earth and Venus with a solid surface and a thick atmosphere with a pressure of 1.4 atm at surface level - in 2004 opened up a new chapter in the history of Solar System exploration. The mission revealed Titan as a world with striking Earth-like landscapes involving hydrocarbon lakes and seas as well as sand dunes and lava-like features interspersed with craters and icy mountains of hitherto unknown chemical composition. The discovery of a dynamic atmosphere and active weather system illustrates further the similarities between Titan and Earth. The aerosol-based haze layers, which give Titan its orange-brownish color, are not only Titan's most prominent optically visible features, but also play a crucial role in determining Titan's thermal structure and chemistry. These smog-like haze layers are thought to be very similar to those that were present in Earth's atmosphere before life developed more than 3.8 billion years ago, absorbing the destructive ultraviolet radiation from the Sun, thus acting as 'prebiotic ozone' to preserve astrobiologically important molecules on Titan. Compared to Earth, Titan's low surface temperature of 94 K and the absence of liquid water preclude the evolution of biological chemistry as we know it. Exactly because of these low temperatures, Titan provides us with a unique prebiotic 'atmospheric laboratory' yielding vital clues - at the frozen stage - on the likely chemical composition of the atmosphere of the primitive Earth. However, the underlying chemical processes, which initiate the haze formation from simple molecules, have been not understood well to date.

  19. Atmospheric Black Carbon: Chemical Bonding and Structural Information of Individual Aerosol Particles

    NASA Astrophysics Data System (ADS)

    Gilles, M. K.; Tivanski, A. V.; Hopkins, R. J.; Marten, B. D.

    2006-12-01

    The formation of aerosols from both natural and anthropogenic sources affects the Earth's temperature and climate by altering the radiative properties of the atmosphere. Aerosols containing black carbon (BC) that are released into the atmosphere from the burning of biomass, natural fires and the combustion of coals, diesel and jet fuels, contribute a large positive component to this radiative forcing, thus causing a heating of the atmosphere. A distinct type of biomass burn aerosol referred to as "tar balls" has recently been reported in the literature and is characterized by a spherical morphology, high carbon content and ability to efficiently scatter and absorb light. At present, very little is known about the exact nature and variation of the range of BC aerosols in the atmosphere with regards to optical, chemical and physical properties. Additionally, the similarity of these aerosols to surrogates used in the laboratory as atmospheric mimics remains unclear. The local chemical bonding, structural ordering and carbon-to-oxygen ratios of a plethora of black carbon standard reference materials (BC SRMs), high molecular mass humic-like substances (HULIS) and atmospheric aerosols from a variety of sources are examined using scanning transmission X-ray microscopy (STXM) coupled with near edge X-ray absorption fine structure (NEXAFS) spectroscopy. STXM/NEXAFS enables single aerosol particles of diameter upwards of 100 nm to be studied, which allows the diversity of atmospheric aerosol collected during a variety of field missions to be assessed. We apply a semi-quantitative peak fitting method to the recorded NEXAFS spectral fingerprints allowing comparison of BC SRMs and HULIS to BC aerosol originating from anthropogenic combustion and biomass burning events. This method allows us to distinguish between anthropogenic combustion and biomass burn aerosol using both chemical bonding and structural ordering information. The STXM/NEXAFS technique has also been utilized to

  20. Chemical composition measurements of the atmosphere of Jupiter with the Galileo Probe mass spectrometer

    NASA Technical Reports Server (NTRS)

    Niemann, H. B.; Atreya, S. K.; Carignan, G. R.; Donahue, T. M.; Haberman, J. A.; Harpold, D. N.; Hartle, R. E.; Hunten, D. M.; Kasprzak, W. T.; Mahaffy, P. R.; Owen, T. C.; Spencer, N. W.

    1998-01-01

    The Galileo Probe entered the atmosphere of Jupiter on December 7, 1995. Measurements of the chemical and isotopic composition of the Jovian atmosphere were obtained by the mass spectrometer during the descent over the 0.5 to 21 bar pressure region over a time period of approximately 1 hour. The sampling was either of atmospheric gases directly introduced into the ion source of the mass spectrometer through capillary leaks or of gas, which had been chemically processed to enhance the sensitivity of the measurement to trace species or noble gases. The analysis of this data set continues to be refined based on supporting laboratory studies on an engineering unit. The mixing ratios of the major constituents of the atmosphere hydrogen and helium have been determined as well as mixing ratios or upper limits for several less abundant species including: methane, water, ammonia, ethane, ethylene, propane, hydrogen sulfide, neon, argon, krypton, and xenon. Analysis also suggests the presence of trace levels of other 3 and 4 carbon hydrocarbons, or carbon and nitrogen containing species, phosphine, hydrogen chloride, and of benzene. The data set also allows upper limits to be set for many species of interest which were not detected. Isotope ratios were measured for 3He/4He, D/H, 13C/12C, 20Ne/22Ne, 38Ar/36Ar and for isotopes of both Kr and Xe.

  1. Manifestation of the light-induced drift effect in chemically peculiar stellar atmospheres

    NASA Astrophysics Data System (ADS)

    Parkhomenko, A. I.; Shalagin, A. M.

    2013-02-01

    We have calculated the factor ( ν g - ν e )/ ν g in the temperature range T = 300-20 000 K for the ions Be+, Mg+, Ca+, C+ in atomic hydrogen and for the ions Mg+ in atomic argon using the known interaction potentials. Here ν e and ν g are the transport collision frequencies for excited- and ground-state particles respectively. Calculations have shown that at T = 10 000-20 000 K, typical temperatures of the atmospheres of chemically peculiar (CP) stars, the values | ν g - ν e |/ ν g ≈ 0.1-0.2 can be reached for ions. This causes the light-induced drift (LID) velocity of ions up to ˜0.1 cm/s in the atmospheres of CP stars with temperatures T < 10 000 K. Therefore the separation of chemical elements due to the LID of ions under the conditions of the atmospheres of such CP stars can be an order of magnitude more efficient in comparison with the separation caused by the radiation pressure. In the atmosphere of more hot stars (20 000 K > T > 10 000 K) it is possible to expect approximately identical magnitude of the LID effect and that of radiation pressure. In the very hot stars ( T >20 000 K) the LID effect is manifested very weakly.

  2. Chemical interactions between the present-day Martian atmosphere and surface minerals: Implications for sample return

    NASA Technical Reports Server (NTRS)

    Prinn, Ronald; Fegley, Bruce

    1988-01-01

    Thermochemical and photochemical reactions between surface minerals and present-day atmospheric constituents are predicted to produce microscopic effects on the surface of mineral grains. Relevant reactions hypothesized in the literature include conversions of silicates and volcanic glasses to clay minerals, conversion of ferrous to ferric compounds, and formation of carbonates, nitrates, and sulfates. These types of surface-atmosphere weathering of minerals, biological potential of the surface environment, and atmospheric stability in both present and past Martian epochs. It is emphasized that the product of these reactions will be observable and interpretable on the microscopic surface layers of Martian surface rocks using modern techniques with obvious implications for sample return from Mars. Macroscopic products of chemical weathering reactions in past Martian epochs are also expected in Martian surface materials. These products are expected not only as a result of reactions similar to those proceeding today but also due to aqueous reactions in past epochs in which liquid water was putatively present. It may prove very difficult or impossible, however, to determine definitively from the relic macroscopic product alone either the exact weathering process which led to its formation of the identity of its weathering parent mineral. The enormous advantages of studying the Martian chemical weathering by investigating the microscopic products of present-day chemical reactions on sample surfaces are very apparent.

  3. Formation of thermal flow fields and chemical transport in air and water by atmospheric plasma

    NASA Astrophysics Data System (ADS)

    Shimizu, Tetsuji; Iwafuchi, Yutaka; Morfill, Gregor E.; Sato, Takehiko

    2011-05-01

    Cold atmospheric plasma is a potential tool for medical purposes, e.g. disinfection/sterilization. In order for it to be effective and functional, it is crucial to understand the transport mechanism of chemically reactive species in air as well as in liquid. An atmospheric plasma discharge was produced between a platinum pin electrode and the surface of water. The thermal flow field of a cold atmospheric plasma as well as its chemical components was measured. A gas flow with a velocity of around 15 m s-1 to the water's surface was shown to be induced by the discharge. This air flow induced a circulating flow in the water from the discharge point at the water's surface because of friction. It was also demonstrated that the chemical components generated in air dissolved in water and the properties of the water changed. The reactive species were believed to be distributed mainly by convective transport in water, because the variation in the pH profile indicated by a methyl red solution resembled the induced flow pattern.

  4. Comparing atmospheric chemical disequilibrium of Earth and Mars to detect the traces of Life

    NASA Astrophysics Data System (ADS)

    Simoncini, Eugenio; Brucato, John Robert; Grassi, Tommaso

    Thanks to rover explorations, satellite mapping and in loco measurements, there are many evidence nowadays that early Mars could have hold extended oceans of liquid water. This makes early Mars similar to early Earth, and a deeper understanding of the conditions which led to the emergence of Life on Earth is needed. It has long been observed that Earth's atmosphere is uniquely far from its thermochemical equilibrium state in terms of its chemical composition. Studying this state of disequilibrium is important for its potential role in the detection of life on other suitable planets [1][2][3]. We developed a methodology to calculate the extent of atmospheric chemical disequilibrium [3][4]. This tool allows us to understand, on a thermodynamic basis, how life affected - and still affects - geochemical processes on Earth, and if other planetary atmospheres are habitable or have a disequilibrium similar to the Earth's one. A new computational framework called KROME has been applied to atmospheric models in order to give a correct computation of reactionś kinetics [5]. In this work we present a first computation of the extent of disequilibrium for the present and early Earth and Mars atmospheres, considering the specific contribution of the different atmospheric processes, such as thermochemical reactions, eddy diffusion, photochemistry, deposition, and the effect of the biosphere. We then assess the effect of life on atmospheric disequilibrium of the Earth and provide a comparison between “alive” and “dead” Earth, present and (plausible) early Mars. Our results provide a comprehensive analysis of atmospheric disequilibrium for rocky and habitable planets, which can be also used for the detection of habitable conditions on farther planetary bodies. [1] Lovelock, J. E.: A physical basis for life detection experiments, Nature, 207, 568 (1965) [2] Kleidon, A., Physics of Life Reviews, 7, 424 (2010) [3] Simoncini E., Grassi T., Disequilibrium in planetary

  5. Interactive 3D Mars Visualization

    NASA Technical Reports Server (NTRS)

    Powell, Mark W.

    2012-01-01

    The Interactive 3D Mars Visualization system provides high-performance, immersive visualization of satellite and surface vehicle imagery of Mars. The software can be used in mission operations to provide the most accurate position information for the Mars rovers to date. When integrated into the mission data pipeline, this system allows mission planners to view the location of the rover on Mars to 0.01-meter accuracy with respect to satellite imagery, with dynamic updates to incorporate the latest position information. Given this information so early in the planning process, rover drivers are able to plan more accurate drive activities for the rover than ever before, increasing the execution of science activities significantly. Scientifically, this 3D mapping information puts all of the science analyses to date into geologic context on a daily basis instead of weeks or months, as was the norm prior to this contribution. This allows the science planners to judge the efficacy of their previously executed science observations much more efficiently, and achieve greater science return as a result. The Interactive 3D Mars surface view is a Mars terrain browsing software interface that encompasses the entire region of exploration for a Mars surface exploration mission. The view is interactive, allowing the user to pan in any direction by clicking and dragging, or to zoom in or out by scrolling the mouse or touchpad. This set currently includes tools for selecting a point of interest, and a ruler tool for displaying the distance between and positions of two points of interest. The mapping information can be harvested and shared through ubiquitous online mapping tools like Google Mars, NASA WorldWind, and Worldwide Telescope.

  6. 3D Nanostructuring of Semiconductors

    NASA Astrophysics Data System (ADS)

    Blick, Robert

    2000-03-01

    Modern semiconductor technology allows to machine devices on the nanometer scale. I will discuss the current limits of the fabrication processes, which enable the definition of single electron transistors with dimensions down to 8 nm. In addition to the conventional 2D patterning and structuring of semiconductors, I will demonstrate how to apply 3D nanostructuring techniques to build freely suspended single-crystal beams with lateral dimension down to 20 nm. In transport measurements in the temperature range from 30 mK up to 100 K these nano-crystals are characterized regarding their electronic as well as their mechanical properties. Moreover, I will present possible applications of these devices.

  7. What Lies Ahead (3-D)

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This 3-D cylindrical-perspective mosaic taken by the navigation camera on the Mars Exploration Rover Spirit on sol 82 shows the view south of the large crater dubbed 'Bonneville.' The rover will travel toward the Columbia Hills, seen here at the upper left. The rock dubbed 'Mazatzal' and the hole the rover drilled in to it can be seen at the lower left. The rover's position is referred to as 'Site 22, Position 32.' This image was geometrically corrected to make the horizon appear flat.

  8. Making Inexpensive 3-D Models

    NASA Astrophysics Data System (ADS)

    Manos, Harry

    2016-03-01

    Visual aids are important to student learning, and they help make the teacher's job easier. Keeping with the TPT theme of "The Art, Craft, and Science of Physics Teaching," the purpose of this article is to show how teachers, lacking equipment and funds, can construct a durable 3-D model reference frame and a model gravity well tailored to specific class lessons. Most of the supplies are readily available in the home or at school: rubbing alcohol, a rag, two colors of spray paint, art brushes, and masking tape. The cost of these supplies, if you don't have them, is less than 20.

  9. A Clean Adirondack (3-D)

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This is a 3-D anaglyph showing a microscopic image taken of an area measuring 3 centimeters (1.2 inches) across on the rock called Adirondack. The image was taken at Gusev Crater on the 33rd day of the Mars Exploration Rover Spirit's journey (Feb. 5, 2004), after the rover used its rock abrasion tool brush to clean the surface of the rock. Dust, which was pushed off to the side during cleaning, can still be seen to the left and in low areas of the rock.

  10. 3D Printed Shelby Cobra

    SciTech Connect

    Love, Lonnie

    2015-01-09

    ORNL's newly printed 3D Shelby Cobra was showcased at the 2015 NAIAS in Detroit. This "laboratory on wheels" uses the Shelby Cobra design, celebrating the 50th anniversary of this model and honoring the first vehicle to be voted a national monument. The Shelby was printed at the Department of Energy’s Manufacturing Demonstration Facility at ORNL using the BAAM (Big Area Additive Manufacturing) machine and is intended as a “plug-n-play” laboratory on wheels. The Shelby will allow research and development of integrated components to be tested and enhanced in real time, improving the use of sustainable, digital manufacturing solutions in the automotive industry.

  11. Positional Awareness Map 3D (PAM3D)

    NASA Technical Reports Server (NTRS)

    Hoffman, Monica; Allen, Earl L.; Yount, John W.; Norcross, April Louise

    2012-01-01

    The Western Aeronautical Test Range of the National Aeronautics and Space Administration s Dryden Flight Research Center needed to address the aging software and hardware of its current situational awareness display application, the Global Real-Time Interactive Map (GRIM). GRIM was initially developed in the late 1980s and executes on older PC architectures using a Linux operating system that is no longer supported. Additionally, the software is difficult to maintain due to its complexity and loss of developer knowledge. It was decided that a replacement application must be developed or acquired in the near future. The replacement must provide the functionality of the original system, the ability to monitor test flight vehicles in real-time, and add improvements such as high resolution imagery and true 3-dimensional capability. This paper will discuss the process of determining the best approach to replace GRIM, and the functionality and capabilities of the first release of the Positional Awareness Map 3D.

  12. Response of the global climate to changes in atmospheric chemical composition due to fossil fuel burning

    NASA Technical Reports Server (NTRS)

    Cess, R. D.; Hameed, S.; Hogan, J. S.

    1980-01-01

    Tropospheric ozone and methane might increase in the future as the result of increasing anthropogenic emissions of CO, NOx and CH4 due to fossil fuel burning. Since O3 and CH4 are both greenhouse gases, increases in their concentrations could augment global warming due to larger future amounts of atmospheric CO2. To test this possible climatic impact, a zonal energy-balance climate model has been combined with a vertically-averaged tropospheric chemical model. The latter model includes all relevant chemical reactions which affect species derived from H2O, O2, CH4 and NOx. The climate model correspondingly incorporates changes in the infrared heating of the surface-troposphere system resulting from chemically induced changes in tropospheric ozone and methane. This coupled climate-chemical model indicates that global climate is sensitive to changes in emissions of CO, NOx and CH4, and that future increases in these emissions could enhance global warming due to increasing atmospheric CO2.

  13. 3D printed bionic ears.

    PubMed

    Mannoor, Manu S; Jiang, Ziwen; James, Teena; Kong, Yong Lin; Malatesta, Karen A; Soboyejo, Winston O; Verma, Naveen; Gracias, David H; McAlpine, Michael C

    2013-06-12

    The ability to three-dimensionally interweave biological tissue with functional electronics could enable the creation of bionic organs possessing enhanced functionalities over their human counterparts. Conventional electronic devices are inherently two-dimensional, preventing seamless multidimensional integration with synthetic biology, as the processes and materials are very different. Here, we present a novel strategy for overcoming these difficulties via additive manufacturing of biological cells with structural and nanoparticle derived electronic elements. As a proof of concept, we generated a bionic ear via 3D printing of a cell-seeded hydrogel matrix in the anatomic geometry of a human ear, along with an intertwined conducting polymer consisting of infused silver nanoparticles. This allowed for in vitro culturing of cartilage tissue around an inductive coil antenna in the ear, which subsequently enables readout of inductively-coupled signals from cochlea-shaped electrodes. The printed ear exhibits enhanced auditory sensing for radio frequency reception, and complementary left and right ears can listen to stereo audio music. Overall, our approach suggests a means to intricately merge biologic and nanoelectronic functionalities via 3D printing.

  14. 3D Printable Graphene Composite

    PubMed Central

    Wei, Xiaojun; Li, Dong; Jiang, Wei; Gu, Zheming; Wang, Xiaojuan; Zhang, Zengxing; Sun, Zhengzong

    2015-01-01

    In human being’s history, both the Iron Age and Silicon Age thrived after a matured massive processing technology was developed. Graphene is the most recent superior material which could potentially initialize another new material Age. However, while being exploited to its full extent, conventional processing methods fail to provide a link to today’s personalization tide. New technology should be ushered in. Three-dimensional (3D) printing fills the missing linkage between graphene materials and the digital mainstream. Their alliance could generate additional stream to push the graphene revolution into a new phase. Here we demonstrate for the first time, a graphene composite, with a graphene loading up to 5.6 wt%, can be 3D printable into computer-designed models. The composite’s linear thermal coefficient is below 75 ppm·°C−1 from room temperature to its glass transition temperature (Tg), which is crucial to build minute thermal stress during the printing process. PMID:26153673

  15. 3D Printed Bionic Ears

    PubMed Central

    Mannoor, Manu S.; Jiang, Ziwen; James, Teena; Kong, Yong Lin; Malatesta, Karen A.; Soboyejo, Winston O.; Verma, Naveen; Gracias, David H.; McAlpine, Michael C.

    2013-01-01

    The ability to three-dimensionally interweave biological tissue with functional electronics could enable the creation of bionic organs possessing enhanced functionalities over their human counterparts. Conventional electronic devices are inherently two-dimensional, preventing seamless multidimensional integration with synthetic biology, as the processes and materials are very different. Here, we present a novel strategy for overcoming these difficulties via additive manufacturing of biological cells with structural and nanoparticle derived electronic elements. As a proof of concept, we generated a bionic ear via 3D printing of a cell-seeded hydrogel matrix in the precise anatomic geometry of a human ear, along with an intertwined conducting polymer consisting of infused silver nanoparticles. This allowed for in vitro culturing of cartilage tissue around an inductive coil antenna in the ear, which subsequently enables readout of inductively-coupled signals from cochlea-shaped electrodes. The printed ear exhibits enhanced auditory sensing for radio frequency reception, and complementary left and right ears can listen to stereo audio music. Overall, our approach suggests a means to intricately merge biologic and nanoelectronic functionalities via 3D printing. PMID:23635097

  16. Martian terrain & airbags - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Portions of the lander's deflated airbags and a petal are at lower left in this image, taken in stereo by the Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. This image is part of a 3D 'monster' panorama of the area surrounding the landing site.

    Mars Pathfinder is the second in NASA's Discovery program of low-cost spacecraft with highly focused science goals. The Jet Propulsion Laboratory, Pasadena, CA, developed and manages the Mars Pathfinder mission for NASA's Office of Space Science, Washington, D.C. JPL is an operating division of the California Institute of Technology (Caltech). The Imager for Mars Pathfinder (IMP) was developed by the University of Arizona Lunar and Planetary Laboratory under contract to JPL. Peter Smith is the Principal Investigator.

    Click below to see the left and right views individually. [figure removed for brevity, see original site] Left [figure removed for brevity, see original site] Right

  17. Martian terrain & airbags - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Portions of the lander's deflated airbags and a petal are at the lower area of this image, taken in stereo by the Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. This image is part of a 3D 'monster' panorama of the area surrounding the landing site.

    Mars Pathfinder is the second in NASA's Discovery program of low-cost spacecraft with highly focused science goals. The Jet Propulsion Laboratory, Pasadena, CA, developed and manages the Mars Pathfinder mission for NASA's Office of Space Science, Washington, D.C. JPL is an operating division of the California Institute of Technology (Caltech). The Imager for Mars Pathfinder (IMP) was developed by the University of Arizona Lunar and Planetary Laboratory under contract to JPL. Peter Smith is the Principal Investigator.

    Click below to see the left and right views individually. [figure removed for brevity, see original site] Left [figure removed for brevity, see original site] Right

  18. 3D structured illumination microscopy

    NASA Astrophysics Data System (ADS)

    Dougherty, William M.; Goodwin, Paul C.

    2011-03-01

    Three-dimensional structured illumination microscopy achieves double the lateral and axial resolution of wide-field microscopy, using conventional fluorescent dyes, proteins and sample preparation techniques. A three-dimensional interference-fringe pattern excites the fluorescence, filling in the "missing cone" of the wide field optical transfer function, thereby enabling axial (z) discrimination. The pattern acts as a spatial carrier frequency that mixes with the higher spatial frequency components of the image, which usually succumb to the diffraction limit. The fluorescence image encodes the high frequency content as a down-mixed, moiré-like pattern. A series of images is required, wherein the 3D pattern is shifted and rotated, providing down-mixed data for a system of linear equations. Super-resolution is obtained by solving these equations. The speed with which the image series can be obtained can be a problem for the microscopy of living cells. Challenges include pattern-switching speeds, optical efficiency, wavefront quality and fringe contrast, fringe pitch optimization, and polarization issues. We will review some recent developments in 3D-SIM hardware with the goal of super-resolved z-stacks of motile cells.

  19. NASA Data Evaluation (2015): Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies

    NASA Astrophysics Data System (ADS)

    Burkholder, J. B.; Sander, S. P.; Abbatt, J.; Barker, J. R.; Huie, R. E.; Kolb, C. E., Jr.; Kurylo, M. J., III; Orkin, V. L.; Wilmouth, D. M.; Wine, P. H.

    2015-12-01

    Atmospheric chemistry models must include a large number of processes to accurately describe the temporal and spatial behavior of atmospheric composition. They require a wide range of chemical and physical data (parameters) that describe elementary gas-phase and heterogeneous processes. The review and evaluation of chemical and physical data has, therefore, played an important role in the development of chemical models and in their use in environmental assessment activities. The NASA data panel evaluation has a broad atmospheric focus that includes Ox, O(1D), singlet O2, HOx, NOx, Organic, FOx, ClOx, BrOx, IOx, SOx, and Na reactions, three-body reactions, equilibrium constants, photochemistry, Henry's Law coefficients, aqueous chemistry, heterogeneous chemistry and processes, and thermodynamic parameters. The 2015 evaluation includes critical coverage of ~700 bimolecular reactions, 86 three-body reactions, 33 equilibrium constants, ~220 photochemical species, ~360 aqueous and heterogeneous processes, and thermodynamic parameters for ~800 species with over 5000 literature citations reviewed. Each evaluation includes (1) recommended values (e.g. rate coefficients, absorption cross sections, solubilities, and uptake coefficients) with estimated uncertainty factors and (2) a note describing the available experimental and theoretical data and an explanation for the recommendation. This presentation highlights some of the recent additions to the evaluation that include: (1) expansion of thermochemical parameters, including Hg species, (2) CH2OO (Criegee) chemistry, (3) Isoprene and its major degradation product chemistry, (4) halocarbon chemistry, (5) Henry's law solubility data, and (6) uptake coefficients. In addition, a listing of complete references with the evaluation notes has been implemented. Users of the data evaluation are encouraged to suggest potential improvements and ways that the evaluation can better serve the atmospheric chemistry community.

  20. Atmospheric pressure chemical ionization of fluorinated phenols in atmospheric pressure chemical ionization mass spectrometry, tandem mass spectrometry, and ion mobility spectrometry

    NASA Technical Reports Server (NTRS)

    Eiceman, G. A.; Bergloff, J. F.; Rodriguez, J. E.; Munro, W.; Karpas, Z.

    1999-01-01

    Atmospheric pressure chemical ionization (APCI)-mass spectrometry (MS) for fluorinated phenols (C6H5-xFxOH Where x = 0-5) in nitrogen with Cl- as the reagent ion yielded product ions of M Cl- through ion associations or (M-H)- through proton abstractions. Proton abstraction was controllable by potentials on the orifice and first lens, suggesting that some proton abstraction occurs through collision induced dissociation (CID) in the interface region. This was proven using CID of adduct ions (M Cl-) with Q2 studies where adduct ions were dissociated to Cl- or proton abstracted to (M-H)-. The extent of proton abstraction depended upon ion energy and structure in order of calculated acidities: pentafluorophenol > tetrafluorophenol > trifluorophenol > difluorophenol. Little or no proton abstraction occurred for fluorophenol, phenol, or benzyl alcohol analogs. Ion mobility spectrometry was used to determine if proton abstraction reactions passed through an adduct intermediate with thermalized ions and mobility spectra for all chemicals were obtained from 25 to 200 degrees C. Proton abstraction from M Cl- was not observed at any temperature for phenol, monofluorophenol, or difluorophenol. Mobility spectra for trifluorophenol revealed the kinetic transformations to (M-H)- either from M Cl- or from M2 Cl- directly. Proton abstraction was the predominant reaction for tetra- and penta-fluorophenols. Consequently, the evidence suggests that proton abstraction occurs from an adduct ion where the reaction barrier is reduced with increasing acidity of the O-H bond in C6H5-xFxOH.

  1. The Advancement of Intraplate Tectonic Motion Detection by the Use of Atmospherically Corrected InSAR Time-series and its Decomposition into a 3D Field Vector in South-East Sicily, Italy.

    NASA Astrophysics Data System (ADS)

    Vollrath, A.; Bekaert, D. P.; Bonforte, A.; Guglielmino, F.; Hooper, A. J.; Stramondo, S.; Zucca, F.

    2014-12-01

    This study provides insights into the advancements gained by applying a tropospheric correction to a time-series InSAR small baseline network processed using the StaMPS software for the Hyblean Plateau in south-east Sicily, Italy. The contribution of the atmosphere is one of the major error sources in repeat-pass InSAR in general. For time-series analysis spatial and temporal "filtering" of the interferometric phase can be used to address atmospheric signals. This however might be at the cost of smoothing and removal of the "tectonic deformation". We applied a tropospheric correction to each interferogram based on estimates of the ERA-Interim weather model, provided by the European Center for Medium-Range Weather Forecast (ECMWF). This approach is part of the InSAR Atmospheric Correction Toolbox (Bekaert et al, in prep) and converts the tropospheric water vapor content into the phase-delay of the radar line-of-sight. For the analysis we used 49 descending and 58 ascending Envisat SAR images, which cover the time period from 2003 until 2010. In addition, we have processed 30 SAR images of RADARSAT-2 for the period between 2010-2012. Furthermore, we used the different viewing geometries and the integration of GPS data to decompose the single line-of-sight velocities into a 3-dimensional field vector by applying the SISTEM approach (Guglielmino et al. 2011). First results reveal that the atmospherically corrected data retain the deformation signal along geological structures like the Scicli-Ragusa fault whilst the standard filtering approach is canceling out these very slow deformation patterns. Simultaneously, the variability of the signal in space is diminished and thus gives more confidence on the deformation patterns observed by the SAR. Consequently, the decomposition of the line-of-sight velocities and the integration with the GPS data allows us to retrieve a more realistic deformation field.

  2. VULCAN: An Open-source, Validated Chemical Kinetics Python Code for Exoplanetary Atmospheres

    NASA Astrophysics Data System (ADS)

    Tsai, Shang-Min; Lyons, James R.; Grosheintz, Luc; Rimmer, Paul B.; Kitzmann, Daniel; Heng, Kevin

    2017-02-01

    We present an open-source and validated chemical kinetics code for studying hot exoplanetary atmospheres, which we name VULCAN. It is constructed for gaseous chemistry from 500 to 2500 K, using a reduced C–H–O chemical network with about 300 reactions. It uses eddy diffusion to mimic atmospheric dynamics and excludes photochemistry. We have provided a full description of the rate coefficients and thermodynamic data used. We validate VULCAN by reproducing chemical equilibrium and by comparing its output versus the disequilibrium-chemistry calculations of Moses et al. and Rimmer & Helling. It reproduces the models of HD 189733b and HD 209458b by Moses et al., which employ a network with nearly 1600 reactions. We also use VULCAN to examine the theoretical trends produced when the temperature–pressure profile and carbon-to-oxygen ratio are varied. Assisted by a sensitivity test designed to identify the key reactions responsible for producing a specific molecule, we revisit the quenching approximation and find that it is accurate for methane but breaks down for acetylene, because the disequilibrium abundance of acetylene is not directly determined by transport-induced quenching, but is rather indirectly controlled by the disequilibrium abundance of methane. Therefore we suggest that the quenching approximation should be used with caution and must always be checked against a chemical kinetics calculation. A one-dimensional model atmosphere with 100 layers, computed using VULCAN, typically takes several minutes to complete. VULCAN is part of the Exoclimes Simulation Platform (ESP; exoclime.net) and publicly available at https://github.com/exoclime/VULCAN.

  3. Chemical Analysis of Fractionated Halogens in Atmospheric Aerosols Collected in Okinawa, Japan

    NASA Astrophysics Data System (ADS)

    Tsuhako, A.; Miyagi, Y.; Somada, Y.; Azechi, S.; Handa, D.; Oshiro, Y.; Murayama, H.; Arakaki, T.

    2013-12-01

    Halogens (Cl, Br and I) play important roles in the atmosphere, e.g. ozone depletion by Br during spring in Polar Regions. Sources of halogens in atmospheric aerosols are mainly from ocean. But, for example, when we analyzed Br- with ion chromatography, its concentrations were almost always below the detection limit, which is also much lower than the estimated concentrations from sodium ion concentrations. We hypothesized that portions of halogens are escaped to the atmosphere, similar to chlorine loss, changed their chemical forms to such as BrO3- and IO3-, and/or even formed precipitates. There was few reported data so far about fractionated halogen concentrations in atmospheric aerosols. Thus, purpose of this study was to determine halogen concentrations in different fractions; free ion, water-soluble chemically transformed ions and precipitates using the authentic aerosols. Moreover, we analyzed seasonal variation for each fraction. Atmospheric aerosol samples were collected at Cape Hedo Atmosphere and Aerosol Monitoring Station (CHAAMS) of Okinawa, Japan during January 2010 and August 2013. A high volume air sampler was used for collecting total particulate matters on quartz filters on a weekly basis. Ultrapure water was used to extract water-soluble factions of halogens. The extracted solutions were filtered with the membrane filter and used for chemical analysis with ion chromatography and ICP-MS. Moreover, the total halogens in aerosols were obtained after digesting aerosols with tetramethylammonium hydroxide (TMAH) using the microwave and analysis with ICP-MS. For Cl, water-soluble Cl- accounted for about 70% of the estimates with Na content. No other forms of water-soluble Cl were found. About 30% of Cl was assumed volatilized to the gas-phase. For Br, water-soluble Br accounted for about 43% of the estimates with Na content, and within the 43%, about 10% of Br was not in the form of Br-. About 46% of Br was assumed volatilized to the gas-phase. For I

  4. Chemical pathway analysis of the Martian atmosphere: The formation and destruction of ozone

    NASA Astrophysics Data System (ADS)

    Boxe, C.; Stock, J.; Lehmann, R.; Grenfell, L.; Patzer, A.; Rauer, H.; Yung, Y. L.

    2014-12-01

    Ozone is a species of major importance in the Martian atmosphere e.g. since it is involved in the stabilization of Mars' major atmospheric constituent carbon dioxide. Below XX km altitude, ozone acts as an atomic oxygen source, which is produced by photolysis and oxidizes carbon monoxide via catalytic cycles involving odd hydrogen (HOx=H+OH+HO2). Originating mainly from H2O photolysis, odd hydrogen destroys ozone resulting in the observed anti-correlation between water vapor and ozone. Compared with species from the HOx-family, ozone is relatively easy to detect by e.g. UV spectroscopy or IR heterodyne spectroscopy. Similar to carbon dioxide, the concentration of ozone can be critically influenced by chemical trace species acting as catalysts in chemical pathways. The identification of such chemical pathways in complex reaction networks and the quantification of their contribution is in general challenging. Therefore, we use an automated computer algorithm (PAP - Pathway Analysis Program), which is specifically designed to address such problems. In this work, we apply the PAP-algorithm to the results of the newly updated JPL/Caltech photochemical column model of the Martian atmosphere in order to investigate the Martian atmospheric ozone photochemistry. The efficiencies of individual ozone formation and destruction pathways are calculated for different atmospheric heights, by applying the algorithm to each vertical layer of the column model in turn. The results of our investigations suggest that ozone is primarily produced by a Chapman-like mechanism, whereby atomic oxygen is produced by carbon dioxide photolysis instead of molecular oxygen photolysis. In the ozone layer at approximately 40 km altitude, ozone formation is chiefly dominated by a chemical pathway where atomic oxygen is supplied by vertical transport. Ozone consumption pathways involving ozone photolysis are most efficient except for a layer around 40 km altitude where the reaction between ozone and

  5. Chemical and toxicological evolution of carbon nanotubes during atmospherically relevant aging processes.

    PubMed

    Liu, Yongchun; Liggio, John; Li, Shao-Meng; Breznan, Dalibor; Vincent, Renaud; Thomson, Errol M; Kumarathasan, Premkumari; Das, Dharani; Abbatt, Jonathan; Antiñolo, María; Russell, Lynn

    2015-03-03

    The toxicity of carbon nanotubes (CNTs) has received significant attention due to their usage in a wide range of commercial applications. While numerous studies exist on their impacts in water and soil ecosystems, there is a lack of information on the exposure to CNTs from the atmosphere. The transformation of CNTs in the atmosphere, resulting in their functionalization, may significantly alter their toxicity. In the current study, the chemical modification of single wall carbon nanotubes (SWCNTs) via ozone and OH radical oxidation is investigated through studies that simulate a range of expected tropospheric particulate matter (PM) lifetimes, in order to link their chemical evolution to toxicological changes. The results indicate that the oxidation favors carboxylic acid functionalization, but significantly less than other studies performed under nonatmospheric conditions. Despite evidence of functionalization, neither O3 nor OH radical oxidation resulted in a change in redox activity (potentially giving rise to oxidative stress) or in cytotoxic end points. Conversely, both the redox activity and cytotoxicity of SWCNTs significantly decreased when exposed to ambient urban air, likely due to the adsorption of organic carbon vapors. These results suggest that the effect of gas-particle partitioning of organics in the atmosphere on the toxicity of SWCNTs should be investigated further.

  6. 3D Printing of Graphene Aerogels.

    PubMed

    Zhang, Qiangqiang; Zhang, Feng; Medarametla, Sai Pradeep; Li, Hui; Zhou, Chi; Lin, Dong

    2016-04-06

    3D printing of a graphene aerogel with true 3D overhang structures is highlighted. The aerogel is fabricated by combining drop-on-demand 3D printing and freeze casting. The water-based GO ink is ejected and freeze-cast into designed 3D structures. The lightweight (<10 mg cm(-3) ) 3D printed graphene aerogel presents superelastic and high electrical conduction.

  7. Quasi 3D dispersion experiment

    NASA Astrophysics Data System (ADS)

    Bakucz, P.

    2003-04-01

    This paper studies the problem of tracer dispersion in a coloured fluid flowing through a two-phase 3D rough channel-system in a 40 cm*40 cm plexi-container filled by homogen glass fractions and colourless fluid. The unstable interface between the driving coloured fluid and the colourless fluid develops viscous fingers with a fractal structure at high capillary number. Five two-dimensional fractal fronts have been observed at the same time using four cameras along the vertical side-walls and using one camera located above the plexi-container. In possession of five fronts the spatial concentration contours are determined using statistical models. The concentration contours are self-affine fractal curves with a fractal dimension D=2.19. This result is valid for disperison at high Péclet numbers.

  8. ShowMe3D

    SciTech Connect

    Sinclair, Michael B

    2012-01-05

    ShowMe3D is a data visualization graphical user interface specifically designed for use with hyperspectral image obtained from the Hyperspectral Confocal Microscope. The program allows the user to select and display any single image from a three dimensional hyperspectral image stack. By moving a slider control, the user can easily move between images of the stack. The user can zoom into any region of the image. The user can select any pixel or region from the displayed image and display the fluorescence spectrum associated with that pixel or region. The user can define up to 3 spectral filters to apply to the hyperspectral image and view the image as it would appear from a filter-based confocal microscope. The user can also obtain statistics such as intensity average and variance from selected regions.

  9. 3D Printed Shelby Cobra

    ScienceCinema

    Love, Lonnie

    2016-11-02

    ORNL's newly printed 3D Shelby Cobra was showcased at the 2015 NAIAS in Detroit. This "laboratory on wheels" uses the Shelby Cobra design, celebrating the 50th anniversary of this model and honoring the first vehicle to be voted a national monument. The Shelby was printed at the Department of Energy’s Manufacturing Demonstration Facility at ORNL using the BAAM (Big Area Additive Manufacturing) machine and is intended as a “plug-n-play” laboratory on wheels. The Shelby will allow research and development of integrated components to be tested and enhanced in real time, improving the use of sustainable, digital manufacturing solutions in the automotive industry.

  10. Supernova Remnant in 3-D

    NASA Technical Reports Server (NTRS)

    2009-01-01

    wavelengths. Since the amount of the wavelength shift is related to the speed of motion, one can determine how fast the debris are moving in either direction. Because Cas A is the result of an explosion, the stellar debris is expanding radially outwards from the explosion center. Using simple geometry, the scientists were able to construct a 3-D model using all of this information. A program called 3-D Slicer modified for astronomical use by the Astronomical Medicine Project at Harvard University in Cambridge, Mass. was used to display and manipulate the 3-D model. Commercial software was then used to create the 3-D fly-through.

    The blue filaments defining the blast wave were not mapped using the Doppler effect because they emit a different kind of light synchrotron radiation that does not emit light at discrete wavelengths, but rather in a broad continuum. The blue filaments are only a representation of the actual filaments observed at the blast wave.

    This visualization shows that there are two main components to this supernova remnant: a spherical component in the outer parts of the remnant and a flattened (disk-like) component in the inner region. The spherical component consists of the outer layer of the star that exploded, probably made of helium and carbon. These layers drove a spherical blast wave into the diffuse gas surrounding the star. The flattened component that astronomers were unable to map into 3-D prior to these Spitzer observations consists of the inner layers of the star. It is made from various heavier elements, not all shown in the visualization, such as oxygen, neon, silicon, sulphur, argon and iron.

    High-velocity plumes, or jets, of this material are shooting out from the explosion in the plane of the disk-like component mentioned above. Plumes of silicon appear in the northeast and southwest, while those of iron are seen in the southeast and north. These jets were already known and Doppler velocity measurements have been made for these

  11. Reaction induced fractures in 3D

    NASA Astrophysics Data System (ADS)

    Ulven, Ole Ivar; Malthe-Sørenssen, Anders

    2014-05-01

    The process of fracture formation due to volume changing processes has been studied numerically in a variety of different settings, e.g. fracture initiation in general volume increasing reactions by Ulven et al.[4], weathering of dolerites by Røyne et al.[2], and volume reduction during chemical decomposition prosesses by Malthe-Sørenssen et al.[1]. Common to many previous works is that the simulations were performed in a 2D setting, due to computational limitations. Fractures observed both in field studies and in experiments are in many cases three dimensional. It remains an open question in what cases the simplification to 2D systems is applicable, and when a full 3D simulation is necessary. In this study, we use a newly developed 3D code combining elements from the discrete element model (DEM) with elements from Peridynamics[3]. We study fracture formation in fully three dimensional simulations, and compare them with simulation results from 2D DEM, thus gaining insight in both qualitative and quantitative differences between results from 2D and 3D simulations. References [1] Malthe-Sørenssen, A., Jamtveit, B., and Meakin, P., 'Fracture Patterns Generated by Diffusion Controlled Volume Changing Reactions,' Phys. Rev. Lett. 96, 2006, pp. 245501-1 - 245501-4. [2] Røyne, A., Jamtveit, B., and Malthe-Sørenssen, A., 'Controls on rock weathering rates by reaction-induced hierarchial fracturing,' Earth Planet. Sci. Lett. 275, 2008, pp. 364 - 369. [3] Silling, S. A., 'Reformulation of elasticity theory for discontinuities and long-range forces,' J. Mech. Phys. Solids, 48, Issue 1, 2000, pp. 175 - 209 [4] Ulven, O. I., Storheim, H., Austrheim, H., and Malthe-Sørenssen, A., 'Fracture Initiation During Volume Increasing Reactions in Rocks and Applications for CO2 Sequestration', Earth Planet. Sci. Lett. 389C, 2014, pp. 132 - 142.

  12. Aircraft Observations of Water Vapor Transport in Atmospheric Rivers: Synthesis from Seven Events Using Dropsonde Data from the NASA Global Hawk, NOAA G-IV, and NOAA WP-3D

    NASA Astrophysics Data System (ADS)

    Ralph, F. M.; Wick, G. A.; Neiman, P. J.; Spackman, J. R.; Song, Y.; Hock, T.

    2011-12-01

    Atmospheric water vapor transport is a critical component of the global water cycle and in precipitation formation and prediction. Over roughly the last 15 years research efforts have identified atmospheric rivers (AR) as the primary mechanism for transporting water vapor in the mid latitudes, and possibly from the tropics into the midlatitudes. Numerous studies have used either satellite observations of vertically integrated water vapor (IWV) over the ocean or numerical models to examine AR-related water vapor transport. Some studies have been able to take advantage of vertical profiling information at the coast, and a handful of other studies have been able to carry out aircraft observations over the oceans. This paper is intended to fill a major observational gap associated with quantifying the total amount of water vapor transport in several ARs using a unique set of dropsonde observations using research aircraft. The research addresses research objectives of CalWater associated with ARs. The analysis includes observations from 3 flights of the NASA Global Hawk unmanned aircraft in the NOAA-led Winter Storms and Pacific Atmospheric Rivers (WISPAR) field campaign that demonstrated for the first time a new dropsonde system built by NCAR for NOAA specifically for use on the Global Hawk. It will also document whether tropical water vapor was entrained into the southern extension of two strong ARs. The study will also compare the observed characteristics of the AR water vapor transport (max IWV, max low-altitude winds, max local water vapor transport, and total water vapor transport across the depth and width of the AR) with standard meteorological analyses from the operational GFS numerical weather prediction model and from the 1/2 deg Climate Forecast System reanalysis (CFSR), the 32 km NARR, the NASA MERRA, and the coarser NCEP-NCAR Reanalysis. Observations from the following field experiments and aircraft will be used: - CalJet, NOAA P-3, 25-26 January 1998

  13. Chemical Atmosphere-Snow-Sea Ice Interactions: defining future research in the field, lab and modeling

    NASA Astrophysics Data System (ADS)

    Frey, Markus

    2015-04-01

    The air-snow-sea ice system plays an important role in the global cycling of nitrogen, halogens, trace metals or carbon, including greenhouse gases (e.g. CO2 air-sea flux), and therefore influences also climate. Its impact on atmospheric composition is illustrated for example by dramatic ozone and mercury depletion events which occur within or close to the sea ice zone (SIZ) mostly during polar spring and are catalysed by halogens released from SIZ ice, snow or aerosol. Recent field campaigns in the high Arctic (e.g. BROMEX, OASIS) and Antarctic (Weddell sea cruises) highlight the importance of snow on sea ice as a chemical reservoir and reactor, even during polar night. However, many processes, participating chemical species and their interactions are still poorly understood and/or lack any representation in current models. Furthermore, recent lab studies provide a lot of detail on the chemical environment and processes but need to be integrated much better to improve our understanding of a rapidly changing natural environment. During a 3-day workshop held in Cambridge/UK in October 2013 more than 60 scientists from 15 countries who work on the physics, chemistry or biology of the atmosphere-snow-sea ice system discussed research status and challenges, which need to be addressed in the near future. In this presentation I will give a summary of the main research questions identified during this workshop as well as ways forward to answer them through a community-based interdisciplinary approach.

  14. Molecule-based approach for computing chemical-reaction rates in upper atmosphere hypersonic flows.

    SciTech Connect

    Gallis, Michail A.; Bond, Ryan Bomar; Torczynski, John Robert

    2009-08-01

    This report summarizes the work completed during FY2009 for the LDRD project 09-1332 'Molecule-Based Approach for Computing Chemical-Reaction Rates in Upper-Atmosphere Hypersonic Flows'. The goal of this project was to apply a recently proposed approach for the Direct Simulation Monte Carlo (DSMC) method to calculate chemical-reaction rates for high-temperature atmospheric species. The new DSMC model reproduces measured equilibrium reaction rates without using any macroscopic reaction-rate information. Since it uses only molecular properties, the new model is inherently able to predict reaction rates for arbitrary nonequilibrium conditions. DSMC non-equilibrium reaction rates are compared to Park's phenomenological non-equilibrium reaction-rate model, the predominant model for hypersonic-flow-field calculations. For near-equilibrium conditions, Park's model is in good agreement with the DSMC-calculated reaction rates. For far-from-equilibrium conditions, corresponding to a typical shock layer, the difference between the two models can exceed 10 orders of magnitude. The DSMC predictions are also found to be in very good agreement with measured and calculated non-equilibrium reaction rates. Extensions of the model to reactions typically found in combustion flows and ionizing reactions are also found to be in very good agreement with available measurements, offering strong evidence that this is a viable and reliable technique to predict chemical reaction rates.

  15. Insight into the numerical challenges of implementing 2-dimensional SOA models in atmospheric chemical transport models

    NASA Astrophysics Data System (ADS)

    Napier, W. J.; Ensberg, J. J.; Seinfeld, J. H.

    2014-10-01

    The new generation of secondary organic aerosol (SOA) models that represent gas- and particle-phase chemistry and thermodynamic partitioning using discrete two-dimensional grids (e.g. SOM, 2D-VBS) cannot be efficiently implemented into three-dimensional atmospheric chemical transport models (CTMs) due to the large number of bins (tracers) required. In this study, we introduce a novel mathematical framework, termed the Oxidation State/Volatility Moment Method, that is designed to address these computational burdens so as to allow the new generation of SOA models to be implemented into CTMs. This is accomplished by mapping the two-dimensional grids onto probability distributions that conserve carbon and oxygen mass. Assessment of the Moment Method strengths (speed, carbon and oxygen conservation) and weaknesses (numerical drift) provide valuable insight that can guide future development of SOA modules for atmospheric CTMs.

  16. A self-consistent chemically stratified atmosphere model for the roAp star 10 Aquilae

    NASA Astrophysics Data System (ADS)

    Nesvacil, N.; Shulyak, D.; Ryabchikova, T. A.; Kochukhov, O.; Akberov, A.; Weiss, W.

    2013-04-01

    Context. Chemically peculiar A-type (Ap) stars are a subgroup of the CP2 stars that exhibit anomalous overabundances of numerous elements, e.g. Fe, Cr, Sr, and rare earth elements. The pulsating subgroup of Ap stars, the roAp stars, present ideal laboratories to observe and model pulsational signatures, as well as the interplay of the pulsations with strong magnetic fields and vertical abundance gradients. Aims: Based on high-resolution spectroscopic observations and observed stellar energy distributions, we construct a self-consistent model atmosphere for the roAp star 10 Aquilae (HD 176232). It accounts for modulations of the temperature-pressure structure caused by vertical abundance gradients. We demonstrate that such an analysis can be used to determine precisely the fundamental atmospheric parameters required for pulsation modelling. Methods: Average abundances were derived for 56 species. For Mg, Si, Ca, Cr, Fe, Co, Sr, Pr, and Nd, vertical stratification profiles were empirically derived using the DDAFit minimisation routine together with the magnetic spectrum synthesis codeSynthmag. Model atmospheres were computed with the LLmodels code, which accounts for the individual abundances and stratification of chemical elements. Results: For the final model atmosphere, Teff = 7550 K and log (g) = 3.8 were adopted. While Mg, Si, Co, and Cr exhibit steep abundance gradients, Ca, Fe, and Sr showed much wider abundance gradients between logτ5000 = -1.5 and 0.5. Elements Mg and Co were found to be the least stratified, while Ca and Sr showed strong depth variations in abundance of up to ≈ 6 dex. Table 4 and Figs. 10-12 are available in electronic form at http://www.aanda.org

  17. 3D printing of microscopic bacterial communities

    PubMed Central

    Connell, Jodi L.; Ritschdorff, Eric T.; Whiteley, Marvin; Shear, Jason B.

    2013-01-01

    Bacteria communicate via short-range physical and chemical signals, interactions known to mediate quorum sensing, sporulation, and other adaptive phenotypes. Although most in vitro studies examine bacterial properties averaged over large populations, the levels of key molecular determinants of bacterial fitness and pathogenicity (e.g., oxygen, quorum-sensing signals) may vary over micrometer scales within small, dense cellular aggregates believed to play key roles in disease transmission. A detailed understanding of how cell–cell interactions contribute to pathogenicity in natural, complex environments will require a new level of control in constructing more relevant cellular models for assessing bacterial phenotypes. Here, we describe a microscopic three-dimensional (3D) printing strategy that enables multiple populations of bacteria to be organized within essentially any 3D geometry, including adjacent, nested, and free-floating colonies. In this laser-based lithographic technique, microscopic containers are formed around selected bacteria suspended in gelatin via focal cross-linking of polypeptide molecules. After excess reagent is removed, trapped bacteria are localized within sealed cavities formed by the cross-linked gelatin, a highly porous material that supports rapid growth of fully enclosed cellular populations and readily transmits numerous biologically active species, including polypeptides, antibiotics, and quorum-sensing signals. Using this approach, we show that a picoliter-volume aggregate of Staphylococcus aureus can display substantial resistance to β-lactam antibiotics by enclosure within a shell composed of Pseudomonas aeruginosa. PMID:24101503

  18. Terrain and rock 'Yogi' - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    The left portion of this image, taken in stereo by the Imager for Mars Pathfinder (IMP) on Sol 3, shows the large rock nicknamed 'Yogi.' 3D glasses are necessary to identify surface detail. Portions of a petal and deflated airbag are in the foreground. Yogi has been an object of study for rover Sojourner's Alpha Proton X-Ray Spectrometer (APXS) instrument. The APXS will help Pathfinder scientists learn more about the chemical composition of that rock. This image is part of a 3D 'monster' panorama of the area surrounding the landing site.

    Mars Pathfinder is the second in NASA's Discovery program of low-cost spacecraft with highly focused science goals. The Jet Propulsion Laboratory, Pasadena, CA, developed and manages the Mars Pathfinder mission for NASA's Office of Space Science, Washington, D.C. JPL is an operating division of the California Institute of Technology (Caltech). The Imager for Mars Pathfinder (IMP) was developed by the University of Arizona Lunar and Planetary Laboratory under contract to JPL. Peter Smith is the Principal Investigator.

    Click below to see the left and right views individually. [figure removed for brevity, see original site] Left [figure removed for brevity, see original site] Right

  19. A new sampler for collecting separate dry and wet atmospheric depositions of trace organic chemicals

    NASA Astrophysics Data System (ADS)

    Waite, Don T.; Cessna, Allan J.; Gurprasad, Narine P.; Banner, James

    Studies conducted in Saskatchewan and elsewhere have demonstrated the atmospheric transport of agricultural pesticides and other organic contaminants and their deposition into aquatic ecosystems. To date these studies have focused on ambient concentrations in the atmosphere and in wet precipitation. To measure the dry deposition of organic chemicals, a new sampler was designed which uses a moving sheet of water to passively trap dry particles and gasses. The moving sheet of water drains into a reservoir and, during recirculation through the sampler, is passed through an XAD-2 resin column which adsorbs the trapped organic contaminants. All surfaces which contact the process water are stainless steel or Teflon. Chemicals collected can be related to airborne materials depositing into aquatic ecosystems. The sampler has received a United States patent (number 5,413,003 - 9 May 1996) with the Canadian patent pending. XAD-2 resin adsorption efficiencies for 10 or 50 μg fortifications of ten pesticides ranged from 76% for atrazine (2-chloro-4-ethylamino-6-isopropylamino- S-triazine) to 110% for triallate [ S-(2,3,3-trichloro-2-phenyl)bis(1-methylethyl)carbamothioate], dicamba (2-methoxy-3,6-dichlorobenzoic acid) and toxaphene (chlorinated camphene mixture). Field testing using duplicate samplers showed good reproducibility and amounts trapped were consistent with those from high volume and bulk pan samplers located on the same site. Average atmospheric dry deposition rates of three chemicals, collected for 5 weeks in May and June, were: dicamba, 69 ng m -2 da -1; 2,4-D (2,4-dichlorophenoxyacetic acid), 276 ng m -2 da -1: and, γ-HCH ( γ-1, 2, 3, 4, 5, 6-hexachlorocyclohexane), 327 ng m -2 da -1.

  20. Flow Tube Studies of Gas Phase Chemical Processes of Atmospheric Importance

    NASA Technical Reports Server (NTRS)

    Molina, Mario J.

    1998-01-01

    The objective of this project is to conduct measurements of elementary reaction rate constants and photochemical parameters for processes of importance in the atmosphere. These measurements are being carried out under temperature and pressure conditions covering those applicable to the stratosphere and upper troposphere, using the chemical ionization mass spectrometry turbulent flow technique developed in our laboratory. The next section summarizes our research activities during the first year of the project, and the section that follows consists of the statement of work for the third year. Additional details concerning the projects listed in the statement of work were described in our original proposal.

  1. Sperm navigation along helical paths in 3D chemoattractant landscapes

    NASA Astrophysics Data System (ADS)

    Jikeli, Jan F.; Alvarez, Luis; Friedrich, Benjamin M.; Wilson, Laurence G.; Pascal, René; Colin, Remy; Pichlo, Magdalena; Rennhack, Andreas; Brenker, Christoph; Kaupp, U. Benjamin

    2015-08-01

    Sperm require a sense of direction to locate the egg for fertilization. They follow gradients of chemical and physical cues provided by the egg or the oviduct. However, the principles underlying three-dimensional (3D) navigation in chemical landscapes are unknown. Here using holographic microscopy and optochemical techniques, we track sea urchin sperm navigating in 3D chemoattractant gradients. Sperm sense gradients on two timescales, which produces two different steering responses. A periodic component, resulting from the helical swimming, gradually aligns the helix towards the gradient. When incremental path corrections fail and sperm get off course, a sharp turning manoeuvre puts sperm back on track. Turning results from an `off' Ca2+ response signifying a chemoattractant stimulation decrease and, thereby, a drop in cyclic GMP concentration and membrane voltage. These findings highlight the computational sophistication by which sperm sample gradients for deterministic klinotaxis. We provide a conceptual and technical framework for studying microswimmers in 3D chemical landscapes.

  2. Sperm navigation along helical paths in 3D chemoattractant landscapes

    PubMed Central

    Jikeli, Jan F.; Alvarez, Luis; Friedrich, Benjamin M.; Wilson, Laurence G.; Pascal, René; Colin, Remy; Pichlo, Magdalena; Rennhack, Andreas; Brenker, Christoph; Kaupp, U. Benjamin

    2015-01-01

    Sperm require a sense of direction to locate the egg for fertilization. They follow gradients of chemical and physical cues provided by the egg or the oviduct. However, the principles underlying three-dimensional (3D) navigation in chemical landscapes are unknown. Here using holographic microscopy and optochemical techniques, we track sea urchin sperm navigating in 3D chemoattractant gradients. Sperm sense gradients on two timescales, which produces two different steering responses. A periodic component, resulting from the helical swimming, gradually aligns the helix towards the gradient. When incremental path corrections fail and sperm get off course, a sharp turning manoeuvre puts sperm back on track. Turning results from an ‘off' Ca2+ response signifying a chemoattractant stimulation decrease and, thereby, a drop in cyclic GMP concentration and membrane voltage. These findings highlight the computational sophistication by which sperm sample gradients for deterministic klinotaxis. We provide a conceptual and technical framework for studying microswimmers in 3D chemical landscapes. PMID:26278469

  3. Modelling Chemical Patterns of Atmospheric Polycyclic Aromatic Hydrocarbons (PAHs) in the Iberian Peninsula

    NASA Astrophysics Data System (ADS)

    Ratola, Nuno; Jiménez-Guerrero, Pedro

    2013-04-01

    Semi-volatile organic compounds (SVOCs) such as PBDEs, PCBs, organochlorine pesticides (OCPs) or PAHs, are widespread and generated in a multitude of anthropogenic (and natural for PAHs) processes and although they are found in the environment at low concentrations, possess an extraordinary carcinogenic capacity (Baussant et al., 2001) and high ecotoxicity due to their persistence in different matrices (air, soil, water, living organisms). In particular, PAHs are originated by combustion processes or release from fossil fuels and can be transported in the atmosphere over long distances in gaseous or particulate matter (Baek et al., 1991). The establishment of strategies for sampling and chemical transport modelling of SVOCs in the atmosphere aiming the definition and validation of the spatial, temporal and chemical transport patterns of contaminants can be achieved by an integrated system of third-generation models that represent the current state of knowledge in air quality modelling and experimental data collected in field campaigns. This has implications in the fields of meteorology, atmospheric chemistry and even climate change. In this case, an extensive database already obtained on levels of atmospheric PAHs from biomonitoring schemes in the Iberian Peninsula fuelled the establishment of the first models of behaviour for PAHs. The modelling system WRF+CHIMERE was implemented with high spatial and temporal resolution to the Iberian Peninsula in this first task (9 km for the Iberian Peninsula, 3 km to Portugal, 1 hour), using PAHs atmospheric levels collected over a year-long sampling scheme comprising 4 campaigns (one per season) in over 30 sites. Daily information on meteorological parameters such as air temperature, humidity, rainfall or wind speed and direction was collected from the weather stations closest to the sampling sites. Diagnosis and forecasts of these meteorological variables using MM5 or WRF were used to feed a chemistry transport model

  4. IR/THz Double Resonance Spectroscopy Approach for Remote Chemical Detection at Atmospheric Pressure

    NASA Astrophysics Data System (ADS)

    Tanner, Elizabeth A.; Phillips, Dane J.; De Lucia, Frank C.; Everitt, Henry O.

    2013-06-01

    A remote sensing methodology based on infrared/terahertz (IR/THz) double resonance (DR) spectroscopy is shown to overcome limitations traditionally associated with either IR or THz spectroscopic approaches for detecting trace gases in an atmosphere. The applicability of IR/THz DR spectroscopy is explored by estimating the IR and THz power requirements for detecting a 100 part-per-million-meter cloud of methyl fluoride, methyl chloride, or methyl bromide at ranges up to 1km in three atmospheric windows below 0.3 THz. These prototypical molecules are used to ascertain the dependence of the DR signal-to-noise ratio on IR and THz beam power. A line-tunable CO_2 laser with 100 ps pulse duration generates a DR signature in four rotational transitions on a time scale commensurate with collisional relaxations caused by atmospheric N_2 and O_2. A continuous wave THz beam is frequency tuned to probe one of these rotational transitions so that laser-induced absorption variations in the analyte cloud are detected as temporal power fluctuations synchronized with the laser pulses. A combination of molecule-specific physics and scenario-dependent atmospheric conditions are used to predict the signal-to-noise ratio (SNR) for detecting an analyte as a function of cloud column density. A methodology is presented by which the optimal IR/THz pump/probe frequencies are identified. These estimates show the potential for low concentration chemical detection in a challenging atmospheric scenario with currently available or near term hardware components.

  5. A sensitive gas chromatography detector based on atmospheric pressure chemical ionization by a dielectric barrier discharge.

    PubMed

    Kirk, Ansgar T; Last, Torben; Zimmermann, Stefan

    2017-02-03

    In this work, we present a novel concept for a gas chromatography detector utilizing an atmospheric pressure chemical ionization which is initialized by a dielectric barrier discharge. In general, such a detector can be simple and low-cost, while achieving extremely good limits of detection. However, it is non-selective apart from the use of chemical dopants. Here, a demonstrator manufactured entirely from fused silica capillaries and printed circuit boards is shown. It has a size of 75×60×25mm(3) and utilizes only 2W of power in total. Unlike other known discharge detectors, which require high-purity helium, this detector can theoretically be operated using any gas able to form stable ion species. Here, purified air is used. With this setup, limits of detection in the low parts-per-billion range have been obtained for acetone.

  6. An alpha particle experiment for chemical analysis of the Martian surface and atmosphere.

    NASA Technical Reports Server (NTRS)

    Economou, T. E.; Turkevich, A. L.; Patterson, J. H.

    1973-01-01

    An alpha particle experiment similar to the one performed successfully on the Surveyor lunar missions is described. It is designed to provide a chemical analysis of the Martian surface and atmosphere. Analyses of rocks of known and unknown compositions have been made under simulated Martian conditions. The accuracies attained are generally comparable to those of the Surveyor lunar analyses. Improvements have been achieved in determining carbon and oxygen, so that a few per cent of water or carbonates in rocks can be detected. Some aspects of the integration of such an experiment with the spacecraft, a possible mission profile, and some other problems associated with a soft-landing mission to Mars are discussed. The importance of such a chemical analysis experiment in answering current questions about the nature and history of Martian surface material and its suitability for life processes is presented.

  7. Embedding objects during 3D printing to add new functionalities.

    PubMed

    Yuen, Po Ki

    2016-07-01

    A novel method for integrating and embedding objects to add new functionalities during 3D printing based on fused deposition modeling (FDM) (also known as fused filament fabrication or molten polymer deposition) is presented. Unlike typical 3D printing, FDM-based 3D printing could allow objects to be integrated and embedded during 3D printing and the FDM-based 3D printed devices do not typically require any post-processing and finishing. Thus, various fluidic devices with integrated glass cover slips or polystyrene films with and without an embedded porous membrane, and optical devices with embedded Corning(®) Fibrance™ Light-Diffusing Fiber were 3D printed to demonstrate the versatility of the FDM-based 3D printing and embedding method. Fluid perfusion flow experiments with a blue colored food dye solution were used to visually confirm fluid flow and/or fluid perfusion through the embedded porous membrane in the 3D printed fluidic devices. Similar to typical 3D printed devices, FDM-based 3D printed devices are translucent at best unless post-polishing is performed and optical transparency is highly desirable in any fluidic devices; integrated glass cover slips or polystyrene films would provide a perfect optical transparent window for observation and visualization. In addition, they also provide a compatible flat smooth surface for biological or biomolecular applications. The 3D printed fluidic devices with an embedded porous membrane are applicable to biological or chemical applications such as continuous perfusion cell culture or biocatalytic synthesis but without the need for any post-device assembly and finishing. The 3D printed devices with embedded Corning(®) Fibrance™ Light-Diffusing Fiber would have applications in display, illumination, or optical applications. Furthermore, the FDM-based 3D printing and embedding method could also be utilized to print casting molds with an integrated glass bottom for polydimethylsiloxane (PDMS) device replication

  8. Dynamic mineral clouds on HD 189733b. I. 3D RHD with kinetic, non-equilibrium cloud formation

    NASA Astrophysics Data System (ADS)

    Lee, G.; Dobbs-Dixon, I.; Helling, Ch.; Bognar, K.; Woitke, P.

    2016-10-01

    Context. Observations of exoplanet atmospheres have revealed the presence of cloud particles in their atmospheres. 3D modelling of cloud formation in atmospheres of extrasolar planets coupled to the atmospheric dynamics has long been a challenge. Aims: We investigate the thermo-hydrodynamic properties of cloud formation processes in the atmospheres of hot Jupiter exoplanets. Methods: We simulate the dynamic atmosphere of HD 189733b with a 3D model that couples 3D radiative-hydrodynamics with a kinetic, microphysical mineral cloud formation module designed for RHD/GCM exoplanet atmosphere simulations. Our simulation includes the feedback effects of cloud advection and settling, gas phase element advection and depletion/replenishment and the radiative effects of cloud opacity. We model the cloud particles as a mix of mineral materials which change in size and composition as they travel through atmospheric thermo-chemical environments. All local cloud properties such as number density, grain size and material composition are time-dependently calculated. Gas phase element depletion as a result of cloud formation is included in the model. In situ effective medium theory and Mie theory is applied to calculate the wavelength dependent opacity of the cloud component. Results: We present a 3D cloud structure of a chemically complex, gaseous atmosphere of the hot Jupiter HD 189733b. Mean cloud particle sizes are typically sub-micron (0.01-0.5 μm) at pressures less than 1 bar with hotter equatorial regions containing the smallest grains. Denser cloud structures occur near terminator regions and deeper (~1 bar) atmospheric layers. Silicate materials such as MgSiO3[s] are found to be abundant at mid-high latitudes, while TiO2[s] and SiO2[s] dominate the equatorial regions. Elements involved in the cloud formation can be depleted by several orders of magnitude. Conclusions: The interplay between radiative-hydrodynamics and cloud kinetics leads to an inhomogeneous, wavelength

  9. 3D Kitaev spin liquids

    NASA Astrophysics Data System (ADS)

    Hermanns, Maria

    The Kitaev honeycomb model has become one of the archetypal spin models exhibiting topological phases of matter, where the magnetic moments fractionalize into Majorana fermions interacting with a Z2 gauge field. In this talk, we discuss generalizations of this model to three-dimensional lattice structures. Our main focus is the metallic state that the emergent Majorana fermions form. In particular, we discuss the relation of the nature of this Majorana metal to the details of the underlying lattice structure. Besides (almost) conventional metals with a Majorana Fermi surface, one also finds various realizations of Dirac semi-metals, where the gapless modes form Fermi lines or even Weyl nodes. We introduce a general classification of these gapless quantum spin liquids using projective symmetry analysis. Furthermore, we briefly outline why these Majorana metals in 3D Kitaev systems provide an even richer variety of Dirac and Weyl phases than possible for electronic matter and comment on possible experimental signatures. Work done in collaboration with Kevin O'Brien and Simon Trebst.

  10. 3D multiplexed immunoplasmonics microscopy

    NASA Astrophysics Data System (ADS)

    Bergeron, Éric; Patskovsky, Sergiy; Rioux, David; Meunier, Michel

    2016-07-01

    Selective labelling, identification and spatial distribution of cell surface biomarkers can provide important clinical information, such as distinction between healthy and diseased cells, evolution of a disease and selection of the optimal patient-specific treatment. Immunofluorescence is the gold standard for efficient detection of biomarkers expressed by cells. However, antibodies (Abs) conjugated to fluorescent dyes remain limited by their photobleaching, high sensitivity to the environment, low light intensity, and wide absorption and emission spectra. Immunoplasmonics is a novel microscopy method based on the visualization of Abs-functionalized plasmonic nanoparticles (fNPs) targeting cell surface biomarkers. Tunable fNPs should provide higher multiplexing capacity than immunofluorescence since NPs are photostable over time, strongly scatter light at their plasmon peak wavelengths and can be easily functionalized. In this article, we experimentally demonstrate accurate multiplexed detection based on the immunoplasmonics approach. First, we achieve the selective labelling of three targeted cell surface biomarkers (cluster of differentiation 44 (CD44), epidermal growth factor receptor (EGFR) and voltage-gated K+ channel subunit KV1.1) on human cancer CD44+ EGFR+ KV1.1+ MDA-MB-231 cells and reference CD44- EGFR- KV1.1+ 661W cells. The labelling efficiency with three stable specific immunoplasmonics labels (functionalized silver nanospheres (CD44-AgNSs), gold (Au) NSs (EGFR-AuNSs) and Au nanorods (KV1.1-AuNRs)) detected by reflected light microscopy (RLM) is similar to the one with immunofluorescence. Second, we introduce an improved method for 3D localization and spectral identification of fNPs based on fast z-scanning by RLM with three spectral filters corresponding to the plasmon peak wavelengths of the immunoplasmonics labels in the cellular environment (500 nm for 80 nm AgNSs, 580 nm for 100 nm AuNSs and 700 nm for 40 nm × 92 nm AuNRs). Third, the developed

  11. Crowdsourcing Based 3d Modeling

    NASA Astrophysics Data System (ADS)

    Somogyi, A.; Barsi, A.; Molnar, B.; Lovas, T.

    2016-06-01

    Web-based photo albums that support organizing and viewing the users' images are widely used. These services provide a convenient solution for storing, editing and sharing images. In many cases, the users attach geotags to the images in order to enable using them e.g. in location based applications on social networks. Our paper discusses a procedure that collects open access images from a site frequently visited by tourists. Geotagged pictures showing the image of a sight or tourist attraction are selected and processed in photogrammetric processing software that produces the 3D model of the captured object. For the particular investigation we selected three attractions in Budapest. To assess the geometrical accuracy, we used laser scanner and DSLR as well as smart phone photography to derive reference values to enable verifying the spatial model obtained from the web-album images. The investigation shows how detailed and accurate models could be derived applying photogrammetric processing software, simply by using images of the community, without visiting the site.

  12. Photochemical Copper Coating on 3D Printed Thermoplastics.

    PubMed

    Yung, Winco K C; Sun, Bo; Huang, Junfeng; Jin, Yingdi; Meng, Zhengong; Choy, Hang Shan; Cai, Zhixiang; Li, Guijun; Ho, Cheuk Lam; Yang, Jinlong; Wong, Wai Yeung

    2016-08-09

    3D printing using thermoplastics has become very popular in recent years, however, it is challenging to provide a metal coating on 3D objects without using specialized and expensive tools. Herein, a novel acrylic paint containing malachite for coating on 3D printed objects is introduced, which can be transformed to copper via one-step laser treatment. The malachite containing pigment can be used as a commercial acrylic paint, which can be brushed onto 3D printed objects. The material properties and photochemical transformation processes have been comprehensively studied. The underlying physics of the photochemical synthesis of copper was characterized using density functional theory calculations. After laser treatment, the surface coating of the 3D printed objects was transformed to copper, which was experimentally characterized by XRD. 3D printed prototypes, including model of the Statue of Liberty covered with a copper surface coating and a robotic hand with copper interconnections, are demonstrated using this painting method. This composite material can provide a novel solution for coating metals on 3D printed objects. The photochemical reduction analysis indicates that the copper rust in malachite form can be remotely and photo-chemically reduced to pure copper with sufficient photon energy.

  13. Photochemical Copper Coating on 3D Printed Thermoplastics

    PubMed Central

    Yung, Winco K. C.; Sun, Bo; Huang, Junfeng; Jin, Yingdi; Meng, Zhengong; Choy, Hang Shan; Cai, Zhixiang; Li, Guijun; Ho, Cheuk Lam; Yang, Jinlong; Wong, Wai Yeung

    2016-01-01

    3D printing using thermoplastics has become very popular in recent years, however, it is challenging to provide a metal coating on 3D objects without using specialized and expensive tools. Herein, a novel acrylic paint containing malachite for coating on 3D printed objects is introduced, which can be transformed to copper via one-step laser treatment. The malachite containing pigment can be used as a commercial acrylic paint, which can be brushed onto 3D printed objects. The material properties and photochemical transformation processes have been comprehensively studied. The underlying physics of the photochemical synthesis of copper was characterized using density functional theory calculations. After laser treatment, the surface coating of the 3D printed objects was transformed to copper, which was experimentally characterized by XRD. 3D printed prototypes, including model of the Statue of Liberty covered with a copper surface coating and a robotic hand with copper interconnections, are demonstrated using this painting method. This composite material can provide a novel solution for coating metals on 3D printed objects. The photochemical reduction analysis indicates that the copper rust in malachite form can be remotely and photo-chemically reduced to pure copper with sufficient photon energy. PMID:27501761

  14. Photochemical Copper Coating on 3D Printed Thermoplastics

    NASA Astrophysics Data System (ADS)

    Yung, Winco K. C.; Sun, Bo; Huang, Junfeng; Jin, Yingdi; Meng, Zhengong; Choy, Hang Shan; Cai, Zhixiang; Li, Guijun; Ho, Cheuk Lam; Yang, Jinlong; Wong, Wai Yeung

    2016-08-01

    3D printing using thermoplastics has become very popular in recent years, however, it is challenging to provide a metal coating on 3D objects without using specialized and expensive tools. Herein, a novel acrylic paint containing malachite for coating on 3D printed objects is introduced, which can be transformed to copper via one-step laser treatment. The malachite containing pigment can be used as a commercial acrylic paint, which can be brushed onto 3D printed objects. The material properties and photochemical transformation processes have been comprehensively studied. The underlying physics of the photochemical synthesis of copper was characterized using density functional theory calculations. After laser treatment, the surface coating of the 3D printed objects was transformed to copper, which was experimentally characterized by XRD. 3D printed prototypes, including model of the Statue of Liberty covered with a copper surface coating and a robotic hand with copper interconnections, are demonstrated using this painting method. This composite material can provide a novel solution for coating metals on 3D printed objects. The photochemical reduction analysis indicates that the copper rust in malachite form can be remotely and photo-chemically reduced to pure copper with sufficient photon energy.

  15. Chemical dynamics of triacetylene formation and implications to the synthesis of polyynes in Titan's atmosphere

    PubMed Central

    Gu, X.; Kim, Y. S.; Kaiser, R. I.; Mebel, A. M.; Liang, M. C.; Yung, Y. L.

    2009-01-01

    For the last four decades, the role of polyynes such as diacetylene (HCCCCH) and triacetylene (HCCCCCCH) in the chemical evolution of the atmosphere of Saturn's moon Titan has been a subject of vigorous research. These polyacetylenes are thought to serve as an UV radiation shield in planetary environments; thus, acting as prebiotic ozone, and are considered as important constituents of the visible haze layers on Titan. However, the underlying chemical processes that initiate the formation and control the growth of polyynes have been the least understood to date. Here, we present a combined experimental, theoretical, and modeling study on the synthesis of the polyyne triacetylene (HCCCCCCH) via the bimolecular gas phase reaction of the ethynyl radical (CCH) with diacetylene (HCCCCH). This elementary reaction is rapid, has no entrance barrier, and yields the triacetylene molecule via indirect scattering dynamics through complex formation in a single collision event. Photochemical models of Titan's atmosphere imply that triacetylene may serve as a building block to synthesize even more complex polyynes such as tetraacetylene (HCCCCCCCCH). PMID:19805262

  16. In vitro cytogenetic studies of organic chemicals found as contaminants in spacecraft cabin atmospheres

    NASA Technical Reports Server (NTRS)

    Torres, J.

    1986-01-01

    Astronauts can be exposed during spaceflight to organic chemical contaminants in the spacecraft cabin atmosphere. Toxic exposures may cause lesions in the cellular DNA which are subsequently expressed as sister-chromatid exchanges (SCE). Analysis of SCE is a sensitive short-term assay technique to detect and quantitate exposures to DNA-damaging (mutagenic) substances. The increase in SCE incidence over baseline (control) levels is generally proportional to the concentration of the mutagen and to the duration of exposure. Dichloromethane (methylene chloride) was chosen for this study since it occurred as an atmospheric contaminant in ten of the first 12 STS flights, and has been reported to have toxic and mutagenic effects in various test systems. Glutaraldehyde was chosen because relatively few data are available on the toxicity or mutagenicity of this common biological fixative, which is carried on STS flights for use in biological experiments. The BHK-21 baby hamster kidney cell line was the in vitro test system used in this study. Neither dichloromethane (10 ppm to 500 ppm) nor glutaraldehyde (1 ppm to 10 ppm) increased SCE levels following 20-hour exposure of BHK-21 cells to the test chemicals.

  17. A review of chemical and physical characterisation of atmospheric metallic nanoparticles

    NASA Astrophysics Data System (ADS)

    Sanderson, Paul; Delgado-Saborit, Juana Maria; Harrison, Roy M.

    2014-09-01

    Knowledge of the human health impacts associated with airborne nanoparticle exposure has led to considerable research activity aimed at better characterising these particles and understanding which particle properties are most important in the context of effects on health. Knowledge of the sources, chemical composition, physical structure and ambient concentrations of nanoparticles has improved significantly as a result. Given the known toxicity of many metals and the contribution of nanoparticles to their oxidative potential, the metallic content of the nanoparticulate burden is likely to be an important factor to consider when attempting to assess the impact of nanoparticle exposure on health. This review therefore seeks to draw together the existing knowledge of metallic nanoparticles in the atmosphere and discuss future research priorities in the field. The article opens by outlining the reasons behind the current research interest in the field, and moves on to discuss sources of nanoparticles to the atmosphere. The next section reviews ambient concentrations, covering spatial and temporal variation, mass and number size distributions, air sampling and measurement techniques. Further sections discuss the chemical and physical composition of particles. The review concludes by summing up the current state of research in the area and considering where future research should be focused.

  18. Modification of the upper atmosphere with chemicals found in rocket exhaust

    SciTech Connect

    Bernhardt, P.A.; Zinn, J.; Mendillo, M.; Baumgardner, J.

    1982-01-01

    Rockets, burning above 200 km altitude, release exhaust vapors which react chemically with the plasma comprising the F-region ionosphere. The two major types of atmospheric modification produced by rocket exhaust are: (1) the formation of large scale ionospheric holes, and (2) the enhancement of the airglow emissions. The ionospheric holes are regions tens of kilometers in diameter where the plasma concentration can be reduced by a factor of ten or more. Plasma instabilities may produce irregularities at the edges of the holes. Communication and navigation systems relying on radio propagation through the modified ionosphere may be affected. Airglow enhancements are a result of excited neutral species being produced by chemical reactions between the rocket exhaust and the ionospheric plasma. For example, the 630 nm line from atomic oxygen may increase twenty-fold in intensity over the ambient level. This paper reviews experimental observations and theoretical treatments of ionospheric modification produced by gas releases in the upper atmosphere. Recent experimental measurements of the ionospheric modification by an ATLAS-F launch vehicle are presented. The plans for future experiments are discussed.

  19. [3D emulation of epicardium dynamic mapping].

    PubMed

    Lu, Jun; Yang, Cui-Wei; Fang, Zu-Xiang

    2005-03-01

    In order to realize epicardium dynamic mapping of the whole atria, 3-D graphics are drawn with OpenGL. Some source codes are introduced in the paper to explain how to produce, read, and manipulate 3-D model data.

  20. An interactive multiview 3D display system

    NASA Astrophysics Data System (ADS)

    Zhang, Zhaoxing; Geng, Zheng; Zhang, Mei; Dong, Hui

    2013-03-01

    The progresses in 3D display systems and user interaction technologies will help more effective 3D visualization of 3D information. They yield a realistic representation of 3D objects and simplifies our understanding to the complexity of 3D objects and spatial relationship among them. In this paper, we describe an autostereoscopic multiview 3D display system with capability of real-time user interaction. Design principle of this autostereoscopic multiview 3D display system is presented, together with the details of its hardware/software architecture. A prototype is built and tested based upon multi-projectors and horizontal optical anisotropic display structure. Experimental results illustrate the effectiveness of this novel 3D display and user interaction system.

  1. Atmospheric precipitation and chemical composition of an urban site, Guaíba hydrographic basin, Brazil

    NASA Astrophysics Data System (ADS)

    Migliavacca, D.; Teixeira, E. C.; Wiegand, F.; Machado, A. C. M.; Sanchez, J.

    The purpose of the present work was to study the chemical composition of bulk and wet atmospheric precipitation in the Guaíba Hydrographic Basin, in South Brazil. The samples were analyzed from January to December 2002 at three different stations, i.e., 8° Distrito and CEASA stations in the city of Porto Alegre, and Charqueadas station, located in the city of same name. The bulk and wet precipitation were analyzed for conductivity, pH, Cl -, NO 3-, F -, SO 42-, Na +, K +, Mg 2+, NH 4+, Ca 2+, Cu, Zn, Mn, Fe and Al. The pH values in the samples of atmospheric precipitation ranged between 4.75 and 7.45. The analysis of linear regression applied to the set of studied variables showed that neutralization occurred in samples of bulk and wet precipitation. It was found that the Cl present in samples of atmospheric precipitation originated from sea salts and anthropogenic sources. The principal components analysis (PCA) identified the main anthropogenic sources within the Guaíba Hydrographic Basin (GHB). Cluster analysis grouped the events identified for each station in the PCA in association with the meteorological data.

  2. The GISP2 ice core and snow-atmosphere chemical exchange

    NASA Astrophysics Data System (ADS)

    Bales, Roger; Dibb, Jack; Neftel, Albrecht

    Polar snow and ice are among the most valuable, or perhaps are the most valuable, tools for reconstructing past climatic conditions. Glacial-ice records large changes over time scales ranging from intraannual to glacial-interglacial transitions. Changes in the ice are thought to largely reflect changes in atmospheric chemistry and dynamics resulting from variations in biogeochemical cycling due to climatic, and other, perturbations [Oeschger and Langway, 1989].However, two broad classes of processes, air-to-snow transfer and post-depositional modification, combine to filter and potentially distort atmospheric signals before they can be preserved in the glacial record [Neftel, 1991]. Recognizing the critical need to understand air-snow transfer and postdepositional modifications to unravel the climate information recorded in ice cores, the International Commission on Snow and Ice (ICSI) established a working group on Snow-Atmosphere Chemical Exchange. With support from the National Science Foundation, Division of Polar Programs, the ICSI working group organized a workshop to develop a science plan for a 3- to 5-year research effort focused on exchange processes. The workshop will follow the current Greenland Ice Sheet Project Two (GISP2) drilling effort at Summit, Greenland.

  3. Aerosol physical, chemical and optical properties observed in the ambient atmosphere during haze pollution conditions

    NASA Astrophysics Data System (ADS)

    Li, Zhengqiang; Xie, Yisong; Li, Donghui; Li, Kaitao; Zhang, Ying; Li, Li; Lv, Yang; Qie, Lili; Xu, Hua

    Aerosol’s properties in the ambient atmosphere may differ significantly from sampling results due to containing of abundant water content. We performed sun-sky radiometer measurements in Beijing during 2011 and 2012 winter to obtain distribution of spectral and angular sky radiance. The measurements are then used to retrieve aerosol physical, chemical and optical properties, including single scattering albedo, size distribution, complex refractive indices and aerosol component fractions identified as black carbon, brown carbon, mineral dust, ammonium sulfate-like components and water content inside particle matters. We found that during winter haze condition aerosol is dominated by fine particles with center radius of about 0.2 micron. Fine particles contribute about 93% to total aerosol extinction of solar light, and result in serious decrease of atmospheric visibility during haze condition. The percentage of light absorption of haze aerosol can up to about 10% among its total extinction, much higher than that of unpolluted conditions, that causes significant radiative cooling effects suppressing atmospheric convection and dispersion of pollutants. Moreover, the average water content occupies about one third of the ambient aerosol in volume which suggests the important effect of ambient humidity in the formation of haze pollution.

  4. Mass spectrometric approaches for chemical characterisation of atmospheric aerosols: critical review of the most recent advances

    SciTech Connect

    Laskin, Alexander; Laskin, Julia; Nizkorodov, Sergey A.

    2012-06-29

    This manuscript presents an overview of the most recent instrument developments for the field and laboratory applications of mass spectrometry (MS) to investigate the chemistry and physics of atmospheric aerosols. A range of MS instruments, employing different sample introduction methods, ionisation and mass detection techniques are used both for ‘online’ and ‘offline’ characterisation of aerosols. Online MS techniques enable detection of individual particles with simultaneous measurement of particle size distributions and aerodynamic characteristics and are ideally suited for field studies that require high temporal resolution. Offline MS techniques provide a means for detailed molecular-level analysis of aerosol samples, which is essential to gain fundamental knowledge regarding aerosol chemistry, mechanisms of particle formation and atmospheric aging. Combined, complementary MS techniques provide comprehensive information on the chemical composition, size, morphology and phase of aerosols – data of key importance for evaluating hygroscopic and optical properties of particles, their health effects, understanding their origins and atmospheric evolution. Over the last few years, developments and applications of MS techniques in aerosol research have expanded remarkably as evident by skyrocketing publication statistics. Finally, the goal of this review is to present the most recent developments in the field of aerosol mass spectrometry for the time period of late 2010 to early 2012, which have not been conveyed in previous reviews.

  5. Gap Opening in 3D: Single-planet Gaps

    NASA Astrophysics Data System (ADS)

    Fung, Jeffrey; Chiang, Eugene

    2016-12-01

    Giant planets can clear deep gaps when embedded in 2D (razor-thin) viscous circumstellar disks. We show by direct simulation that giant planets are just as capable of carving out gaps in 3D. Surface density maps are similar between 2D and 3D, even in detail. In particular, the scaling {{{Σ }}}{gap}\\propto {q}-2 of gap surface density with planet mass, derived from a global “zero-dimensional” balance of Lindblad and viscous torques, applies equally well to results obtained at higher dimensions. Our 3D simulations reveal extensive, near-sonic, meridional flows both inside and outside the gaps; these large-scale circulations might bear on disk compositional gradients, in dust or other chemical species. At high planet mass, gap edges are mildly Rayleigh unstable and intermittently shed streams of material into the gap—less so in 3D than in 2D.

  6. Virtual and Printed 3D Models for Teaching Crystal Symmetry and Point Groups

    ERIC Educational Resources Information Center

    Casas, Lluís; Estop, Euge`nia

    2015-01-01

    Both, virtual and printed 3D crystal models can help students and teachers deal with chemical education topics such as symmetry and point groups. In the present paper, two freely downloadable tools (interactive PDF files and a mobile app) are presented as examples of the application of 3D design to study point-symmetry. The use of 3D printing to…

  7. Morphology and Chemical composition of Atmospheric Particles over Semi-Arid region (Jaipur, Rajasthan) of India

    NASA Astrophysics Data System (ADS)

    Mishra, S. K.; Agnihotri, R.; Yadav, P.; Singh, S.; Tawale, J. S.; Rashmi, R.; Prasad, M.; Arya, B. C.; Mishra, N.

    2012-12-01

    Uncertainties associated with the radiative forcing of atmospheric dust particles is highest, owing to lack of region-specific dust morphology (particle shape, size) and mineralogy (chemical composition) database, needed for modeling their optical properties (Mishra and Tripathi, 2008). To fill this gap for the Indian region, we collected atmospheric particles (with aerodynamic size <5um, PM5 and a few bulk particles; TSP) from seven sites of Jaipur and nearby locales (semi-arid region, in the vicinity of Thar Desert of Rajasthan) at varying altitude, during late winters of ca. 2012. PM5 particles were collected on Teflon filters (for bulk chemical analyses), while pure Tin substrates (~1×1 mm2) were used for investigating individual particle morphology. Using Scanning Electron Microscope equipped with Energy Dispersive X ray (SEM-EDX) facility at NPL, images of individual particles were recorded and the morphological parameters (e.g. Aspect ratio; AR, Circulatory parameter; CIR.) were retrieved following Okada et al. (2001), whereas chemical compositions of individual particles were determined by EDX and bulk samples by X ray fluorescence (XRF). The geometrical size distributions of atmospheric particles were generated for each site. Based on NIST (National Institute of Standard and Technology, USA) morphology database, the site-specific individual particle shapes reveal predominance of "Layered" (calcite and quartz rich), "Angular" structures (quartz rich) and "Flattened" particles over all the sites. Particles were found to be highly non-spherical with irregular shapes (CIR varying from 1 to 0.22 with median value ~0.76; AR varying from 1 to 5.4 with median value ~1.64). Noteworthy to mention, that unit values of AR and CIR represent spherical particles. Chemical analyses of PM5 particles revealed dominance of crustal elements e.g. Si, Al, Fe, Ca, Mg, in general. Particles over Kukas Hill (27.027° N, 75.919° E; ~800 MAGL) showed highest Fe mass fractions (~43

  8. Laser Based 3D Volumetric Display System

    DTIC Science & Technology

    1993-03-01

    Literature, Costa Mesa, CA July 1983. 3. "A Real Time Autostereoscopic Multiplanar 3D Display System", Rodney Don Williams, Felix Garcia, Jr., Texas...8217 .- NUMBERS LASER BASED 3D VOLUMETRIC DISPLAY SYSTEM PR: CD13 0. AUTHOR(S) PE: N/AWIU: DN303151 P. Soltan, J. Trias, W. Robinson, W. Dahlke 7...laser generated 3D volumetric images on a rotating double helix, (where the 3D displays are computer controlled for group viewing with the naked eye

  9. True 3d Images and Their Applications

    NASA Astrophysics Data System (ADS)

    Wang, Z.; wang@hzgeospace., zheng.

    2012-07-01

    A true 3D image is a geo-referenced image. Besides having its radiometric information, it also has true 3Dground coordinates XYZ for every pixels of it. For a true 3D image, especially a true 3D oblique image, it has true 3D coordinates not only for building roofs and/or open grounds, but also for all other visible objects on the ground, such as visible building walls/windows and even trees. The true 3D image breaks the 2D barrier of the traditional orthophotos by introducing the third dimension (elevation) into the image. From a true 3D image, for example, people will not only be able to read a building's location (XY), but also its height (Z). true 3D images will fundamentally change, if not revolutionize, the way people display, look, extract, use, and represent the geospatial information from imagery. In many areas, true 3D images can make profound impacts on the ways of how geospatial information is represented, how true 3D ground modeling is performed, and how the real world scenes are presented. This paper first gives a definition and description of a true 3D image and followed by a brief review of what key advancements of geospatial technologies have made the creation of true 3D images possible. Next, the paper introduces what a true 3D image is made of. Then, the paper discusses some possible contributions and impacts the true 3D images can make to geospatial information fields. At the end, the paper presents a list of the benefits of having and using true 3D images and the applications of true 3D images in a couple of 3D city modeling projects.

  10. Estimating Chemical Exchange between Atmospheric Deposition and Forest Canopy in Guizhou, China.

    PubMed

    Li, Wei; Gao, Fang; Liao, Xueqin

    2013-01-01

    To evaluate the effects of atmospheric deposition on forest ecosystems, wet-only precipitation and throughfall samples were collected in two forest types (Masson pine [ Lamb.] forests and mixed conifer and broadleaf forests) in the Longli forest in the Guizhou province of southwestern China for a period of 21 successive months from April 2007 to December 2008. The pH and chemical components of precipitation and throughfall were analyzed. In addition, the canopy budget model was applied to distinguish between in-canopy and atmospheric sources of chemical compounds. Canopy leaching and total potentially acidifying deposition fluxes were calculated. The results showed that the average pH and the concentration of ions in throughfall were higher than those in precipitation, with the exception of the NH concentration. Dry deposition of S and N accumulated more in Masson pine forests than in mixed conifer and broadleaf forests. Canopy leaching was the most significant source of base cations in forest throughfall, which was higher in the mixed forests than in the coniferous forests. Anions in throughfall deposition in Masson pine forests exceeded those in the mixed forests. Higher total potentially acidifying deposition fluxes reflected the more effective amounts of acid delivered to Masson pine forests compared with mixed conifer and broadleaf forests. In addition, acid deposition induced the leaching and loss of nutrient ions such as Mg, K, and Ca. Although the trees of the studied areas have not shown any symptoms of cation loss, a potentially harmful influence was engendered by atmospheric deposition in the two forest types in the Longli area.

  11. Feasibility Study of Venus Surface Cooling Using Chemical Reactions with the Atmosphere

    NASA Technical Reports Server (NTRS)

    Evans, Christopher

    2013-01-01

    A literature search and theoretical analysis were conducted to investigate the feasibility of cooling a craft on Venus through chemical reformation of materials from the atmosphere. The core concept was to take carbon dioxide (CO2) from the Venus atmosphere and chemically reform it into simpler compounds such as carbon, oxygen, and carbon monoxide. This process is endothermic, taking energy from the surroundings to produce a cooling effect. A literature search was performed to document possible routes for achieving the desired reactions. Analyses indicated that on Venus, this concept could theoretically be used to produce cooling, but would not perform as well as a conventional heat pump. For environments other than Venus, the low theoretical performance limits general applicability of this concept, however this approach to cooling may be useful in niche applications. Analysis indicated that environments with particular atmospheric compositions and temperatures could allow a similar cooling system to operate with very good performance. This approach to cooling may also be useful where the products of reaction are also desirable, or for missions where design simplicity is valued. Conceptual designs for Venus cooling systems were developed using a modified concept, in which an expendable reactant supply would be used to promote more energetically favorable reactions with the ambient CO2, providing cooling for a more limited duration. This approach does not have the same performance issues, but the use of expendable supplies increases the mass requirements and limits the operating lifetime. This paper summarizes the findings of the literature search and corresponding analyses of the various cooling options.

  12. Quantifying Uncertainty in Daily Temporal Variations of Atmospheric NH3 Emissions Following Application of Chemical Fertilizers

    NASA Astrophysics Data System (ADS)

    Balasubramanian, S.; Koloutsou-Vakakis, S.; Rood, M. J.

    2014-12-01

    Improving modeling predictions of atmospheric particulate matter and deposition of reactive nitrogen requires representative emission inventories of precursor species, such as ammonia (NH3). Anthropogenic NH3 is primarily emitted to the atmosphere from agricultural sources (80-90%) with dominant contributions (56%) from chemical fertilizer usage (CFU) in regions like Midwest USA. Local crop management practices vary spatially and temporally, which influence regional air quality. To model the impact of CFU, NH3 emission inputs to chemical transport models are obtained from the National Emission Inventory (NEI). NH3 emissions from CFU are typically estimated by combining annual fertilizer sales data with emission factors. The Sparse Matrix Operator Kernel Emissions (SMOKE) model is used to disaggregate annual emissions to hourly scale using temporal factors. These factors are estimated by apportioning emissions within each crop season in proportion to the nitrogen applied and time-averaged to the hourly scale. Such approach does not reflect influence of CFU for different crops and local weather and soil conditions. This study provides an alternate approach for estimating temporal factors for NH3 emissions. The DeNitrification DeComposition (DNDC) model was used to estimate daily variations in NH3 emissions from CFU at 14 Central Illinois locations for 2002-2011. Weather, crop and soil data were provided as inputs. A method was developed to estimate site level CFU by combining planting and harvesting dates, nitrogen management and fertilizer sales data. DNDC results indicated that annual NH3 emissions were within ±15% of SMOKE estimates. Daily modeled emissions across 10 years followed similar distributions but varied in magnitudes within ±20%. Individual emission peaks on days after CFU were 2.5-8 times greater as compared to existing estimates from SMOKE. By identifying the episodic nature of NH3 emissions from CFU, this study is expected to provide improvements

  13. Feasibility Study of Venus Surfuce Cooling Using Chemical Reactions with the Atmosphere

    NASA Technical Reports Server (NTRS)

    Evans, Christopher

    2013-01-01

    A literature search and theoretical analysis were conducted to investigate the feasibility of cooling a craft on Venus through chemical reformation of materials from the atmosphere. The core concept was to take carbon dioxide (CO2) from the Venus atmosphere and chemically reform it into simpler compounds such as carbon, oxygen, and carbon monoxide. This process is endothermic, taking energy from the surroundings to produce a cooling effect. A literature search was performed to document possible routes for achieving the desired reactions. Analyses indicated that on Venus, this concept could theoretically be used to produce cooling, but would not perform as well as a conventional heat pump. For environments other than Venus, the low theoretical performance limits general applicability of this concept, however this approach to cooling may be useful in niche applications. Analysis indicated that environments with particular atmospheric compositions and temperatures could allow a similar cooling system to operate with very good performance. This approach to cooling may also be useful where the products of reaction are also desirable, or for missions where design simplicity is valued. Conceptual designs for Venus cooling systems were developed using a modified concept, in which an expendable reactant supply would be used to promote more energetically favorable reactions with the ambient CO2, providing cooling for a more limited duration. This approach does not have the same performance issues, but the use of expendable supplies increases the mass requirements and limits the operating lifetime. This paper summarizes the findings of the literature search and corresponding analyses of the various cooling options

  14. 3D Printing and Its Urologic Applications

    PubMed Central

    Soliman, Youssef; Feibus, Allison H; Baum, Neil

    2015-01-01

    3D printing is the development of 3D objects via an additive process in which successive layers of material are applied under computer control. This article discusses 3D printing, with an emphasis on its historical context and its potential use in the field of urology. PMID:26028997

  15. Teaching Geography with 3-D Visualization Technology

    ERIC Educational Resources Information Center

    Anthamatten, Peter; Ziegler, Susy S.

    2006-01-01

    Technology that helps students view images in three dimensions (3-D) can support a broad range of learning styles. "Geo-Wall systems" are visualization tools that allow scientists, teachers, and students to project stereographic images and view them in 3-D. We developed and presented 3-D visualization exercises in several undergraduate courses.…

  16. Expanding Geometry Understanding with 3D Printing

    ERIC Educational Resources Information Center

    Cochran, Jill A.; Cochran, Zane; Laney, Kendra; Dean, Mandi

    2016-01-01

    With the rise of personal desktop 3D printing, a wide spectrum of educational opportunities has become available for educators to leverage this technology in their classrooms. Until recently, the ability to create physical 3D models was well beyond the scope, skill, and budget of many schools. However, since desktop 3D printers have become readily…

  17. Beowulf 3D: a case study

    NASA Astrophysics Data System (ADS)

    Engle, Rob

    2008-02-01

    This paper discusses the creative and technical challenges encountered during the production of "Beowulf 3D," director Robert Zemeckis' adaptation of the Old English epic poem and the first film to be simultaneously released in IMAX 3D and digital 3D formats.

  18. 3D Flow Visualization Using Texture Advection

    NASA Technical Reports Server (NTRS)

    Kao, David; Zhang, Bing; Kim, Kwansik; Pang, Alex; Moran, Pat (Technical Monitor)

    2001-01-01

    Texture advection is an effective tool for animating and investigating 2D flows. In this paper, we discuss how this technique can be extended to 3D flows. In particular, we examine the use of 3D and 4D textures on 3D synthetic and computational fluid dynamics flow fields.

  19. Chemical Characterization of Extrasolar Super-Earths - Interiors, Atmospheres, and Formation Conditions

    NASA Astrophysics Data System (ADS)

    Madhusudhan, Nikku; Lee, K.; Uts, I.; Mousis, O.

    2013-01-01

    Recent observations are allowing unprecedented measurements of masses and radii of low-mass transiting extrasolar planets, particularly super-Earths which are defined as planets with masses between 1 and 10 Earth masses. The observed masses, radii, and temperatures of super-Earths provide constraints on their interior structures, geophysical conditions, as well as their atmospheric compositions. Some of the most recently detected super-Earths span a wide gamut of possible compositions, from super-Mercuries and lava planets to water worlds with thick volatile envelopes. In this work, we report joint constraints on the interior and atmospheric compositions of several super-Earths and discuss their possible formation scenarios using new and comprehensive hybrid models of their interiors, non-gray atmospheres, and formation conditions. Our model constraints are based on the masses and visible radii, as well as the latest infrared measurements of transmission and emission spectrophotometry where available, in addition to revised estimates of the stellar parameters. We will present a comparative analysis of several transiting super-Earths currently known and will discuss in detail two super-Earths (GJ 1214b and 55 Cancri e) which have atmospheric data available and which represent two distinct end members in the thermo-chemical phase space of super-Earth conditions. We will also discuss the implications of our results for the diversity of geochemical and geophysical conditions on super-Earths. We will conclude with comments on new observational, theoretical, and experimental efforts that are critical to detailed characterization of super-Earths.

  20. Towards functional assembly of 3D and 2D nanomaterials

    NASA Astrophysics Data System (ADS)

    Jacobs, Christopher B.; Wang, Kai; Ievlev, Anton V.; Muckley, Eric S.; Ivanov, Ilia N.

    2016-09-01

    Functional assemblies of materials can be realized by tuning the work function and band gap of nanomaterials by rational material selection and design. Here we demonstrate the structural assembly of 2D and 3D nanomaterials and show that layering a 2D material monolayer on a 3D metal oxide leads to substantial alteration of both the surface potential and optical properties of the 3D material. A 40 nm thick film of polycrystalline NiO was produced by room temperature rf-sputtering, resulting in a 3D nanoparticle assembly. Chemical vapor deposition (CVD) grown 10-30 μm WS2 flakes (2D material) were placed on the NiO surface using a PDMS stamp transfer technique. The 2D/3D WS2/NiO assembly was characterized using confocal micro Raman spectroscopy to evaluate the vibrational properties and using Kelvin probe force microscopy (KPFM) to evaluate the surface potential. Raman maps of the 2D/3D assembly show spatial non-uniformity of the A1g mode ( 418 cm-1) and the disorder-enhanced longitudinal acoustic mode, 2LA(M) ( 350 cm-1), suggesting that the WS2 exists in a strained condition on when transferred onto 3D polycrystalline NiO. KPFM measurements show that single layer WS2 on SiO2 has a surface potential 75 mV lower than that of SiO2, whereas the surface potential of WS2 on NiO is 15 mV higher than NiO, indicating that WS2 could act as electron donor or acceptor depending on the 3D material it is interfaced with. Thus 2D and 3D materials can be organized into functional assemblies with electron flow controlled by the WS2 either as the electron donor or acceptor.

  1. Chemical analysis of CH stars - II. Atmospheric parameters and elemental abundances

    NASA Astrophysics Data System (ADS)

    Karinkuzhi, Drisya; Goswami, Aruna

    2015-01-01

    We present detailed chemical analyses for a sample of 12 stars selected from the CH star catalogue of Bartkevicius. The sample includes two confirmed binaries, four objects that are known to show radial velocity variations and the rest with no information on the binary status. A primary objective is to examine if all these objects exhibit chemical abundances characteristics of CH stars, based on detailed chemical composition study using high-resolution spectra. We have used high-resolution (R ˜ 42 000) spectra from the ELODIE archive. These spectra cover 3900 to 6800 Å in the wavelength range. We have estimated the stellar atmospheric parameters, the effective temperature Teff, the surface gravity log g, and metallicity [Fe/H] from local thermodynamic equilibrium analysis using model atmospheres. Estimated temperatures of these objects cover a wide range from 4200 to 6640 K, the surface gravity from 0.6 to 4.3 and metallicity from -0.13 to -1.5. We report updates on elemental abundances for several heavy elements, Sr, Y, Zr, Ba, La, Ce, Pr, Nd, Sm, Eu and Dy. For the object HD 89668, we present the first abundance analyses results. Enhancement of heavy elements relative to Fe, a characteristic property of CH stars is evident from our analyses in the case of four objects, HD 92545, HD 104979, HD 107574 and HD 204613. A parametric-model-based study is performed to understand the relative contributions from the s- and r-process to the abundances of the heavy elements.

  2. Ablation and Chemical Alteration of Cosmic Dust Particles during Entry into the Earth’s Atmosphere

    NASA Astrophysics Data System (ADS)

    Rudraswami, N. G.; Shyam Prasad, M.; Dey, S.; Plane, J. M. C.; Feng, W.; Carrillo-Sánchez, J. D.; Fernandes, D.

    2016-12-01

    Most dust-sized cosmic particles undergo ablation and chemical alteration during atmospheric entry, which alters their original properties. A comprehensive understanding of this process is essential in order to decipher their pre-entry characteristics. The purpose of the study is to illustrate the process of vaporization of different elements for various entry parameters. The numerical results for particles of various sizes and various zenith angles are treated in order to understand the changes in chemical composition that the particles undergo as they enter the atmosphere. Particles with large sizes (> few hundred μm) and high entry velocities (>16 km s-1) experience less time at peak temperatures compared to those that have lower velocities. Model calculations suggest that particles can survive with an entry velocity of 11 km s-1 and zenith angles (ZA) of 30°-90°, which accounts for ˜66% of the region where particles retain their identities. Our results suggest that the changes in chemical composition of MgO, SiO2, and FeO are not significant for an entry velocity of 11 km s-1 and sizes <300 μm, but the changes in these compositions become significant beyond this size, where FeO is lost to a major extent. However, at 16 km s-1 the changes in MgO, SiO2, and FeO are very intense, which is also reflected in Mg/Si, Fe/Si, Ca/Si, and Al/Si ratios, even for particles with a size of 100 μm. Beyond 400 μm particle sizes at 16 km s-1, most of the major elements are vaporized, leaving the refractory elements, Al and Ca, suspended in the troposphere.

  3. 3-D Perspective Pasadena, California

    NASA Technical Reports Server (NTRS)

    2000-01-01

    This perspective view shows the western part of the city of Pasadena, California, looking north towards the San Gabriel Mountains. Portions of the cities of Altadena and La Canada, Flintridge are also shown. The image was created from three datasets: the Shuttle Radar Topography Mission (SRTM) supplied the elevation data; Landsat data from November 11, 1986 provided the land surface color (not the sky) and U.S. Geological Survey digital aerial photography provides the image detail. The Rose Bowl, surrounded by a golf course, is the circular feature at the bottom center of the image. The Jet Propulsion Laboratory is the cluster of large buildings north of the Rose Bowl at the base of the mountains. A large landfill, Scholl Canyon, is the smooth area in the lower left corner of the scene. This image shows the power of combining data from different sources to create planning tools to study problems that affect large urban areas. In addition to the well-known earthquake hazards, Southern California is affected by a natural cycle of fire and mudflows. Wildfires strip the mountains of vegetation, increasing the hazards from flooding and mudflows for several years afterwards. Data such as shown on this image can be used to predict both how wildfires will spread over the terrain and also how mudflows will be channeled down the canyons. The Shuttle Radar Topography Mission (SRTM), launched on February 11, 2000, uses the same radar instrument that comprised the Spaceborne Imaging Radar-C/X-Band Synthetic Aperture Radar (SIR-C/X-SAR) that flew twice on the Space Shuttle Endeavour in 1994. The mission was designed to collect three dimensional measurements of the Earth's surface. To collect the 3-D data, engineers added a 60-meter-long (200-foot) mast, an additional C-band imaging antenna and improved tracking and navigation devices. The mission is a cooperative project between the National Aeronautics and Space Administration (NASA), the National Imagery and Mapping Agency

  4. 3D Bioprinting of Tissue/Organ Models.

    PubMed

    Pati, Falguni; Gantelius, Jesper; Svahn, Helene Andersson

    2016-04-04

    In vitro tissue/organ models are useful platforms that can facilitate systematic, repetitive, and quantitative investigations of drugs/chemicals. The primary objective when developing tissue/organ models is to reproduce physiologically relevant functions that typically require complex culture systems. Bioprinting offers exciting prospects for constructing 3D tissue/organ models, as it enables the reproducible, automated production of complex living tissues. Bioprinted tissues/organs may prove useful for screening novel compounds or predicting toxicity, as the spatial and chemical complexity inherent to native tissues/organs can be recreated. In this Review, we highlight the importance of developing 3D in vitro tissue/organ models by 3D bioprinting techniques, characterization of these models for evaluating their resemblance to native tissue, and their application in the prioritization of lead candidates, toxicity testing, and as disease/tumor models.

  5. Tailoring the electron dynamics and chemical kinetics in radio-frequency driven atmospheric pressure plasmas

    NASA Astrophysics Data System (ADS)

    Gans, Timo

    2015-09-01

    Radio-frequency atmospheric pressure plasmas are versatile and efficient sources for reactive species at ambient room temperature. The non-equilibrium chemical kinetics is initiated and determined by the electron dynamics. Due to the strongly collisional environment and associated short electron energy relaxation times the electron dynamics can be tailored using multi-frequency power coupling techniques, enabling separate control of key parameters like electron density and electron mean energy. Details of the chemical kinetics depend on the feedgas composition and desired application. Measurements and predictive simulations of key reactive species are equally challenging due to the strongly collisional environment and their multi-scale nature in space and time. The most promising approach is the exploitation of complementary advantages in direct measurements combined with specifically designed numerical simulations. The employed diagnostic techniques include picosecond laser spectroscopy, synchrotron VUV spectroscopy, IR absorption spectroscopy and nanosecond optical imaging spectroscopy. The presentation will focus on examples of He-O2-N2 mixtures for bio-medical applications and He/Ar-CO2 mixtures for CO2 conversion into value-added chemicals. This work has been supported by the UK EPSRC (EP/K018388/1 & EP/H003797/1).

  6. Tracing origins of complex pharmaceutical preparations using surface desorption atmospheric pressure chemical ionization mass spectrometry.

    PubMed

    Zhang, Xinglei; Jia, Bin; Huang, Keke; Hu, Bin; Chen, Rong; Chen, Huanwen

    2010-10-01

    A novel strategy to trace the origins of commercial pharmaceutical products has been developed based on the direct chemical profiling of the pharmaceutical products by surface desorption atmospheric pressure chemical ionization mass spectrometry (DAPCI-MS). Besides the unambiguous identification of active drug components, various compounds present in the matrixes are simultaneously detected without sample pretreatment, providing valuable information for drug quality control and origin differentiation. Four sources of commercial amoxicillin products made by different manufacturers have been successfully differentiated. This strategy has been extended to secerning six sources of Liuwei Dihuang Teapills, which are herbal medicine preparations with extremely complex matrixes. The photolysis status of chemical drug products and the inferior natural herd medicine products prepared with different processes (e.g., extra heating) were also screened using the method reported here. The limit of detection achieved in the MS/MS experiments was estimated to be 1 ng/g for amoxicillin inside the capsule product. Our experimental data demonstrate that DAPCI-MS is a useful tool for rapid pharmaceutical analysis, showing promising perspectives for tracking the entire pharmaceutical supply chain to prevent counterfeit intrusions.

  7. A Chemical Kinetics Network for Lightning and Life in Planetary Atmospheres

    NASA Astrophysics Data System (ADS)

    Rimmer, P. B.; Helling, Ch

    2016-05-01

    There are many open questions about prebiotic chemistry in both planetary and exoplanetary environments. The increasing number of known exoplanets and other ultra-cool, substellar objects has propelled the desire to detect life and prebiotic chemistry outside the solar system. We present an ion-neutral chemical network constructed from scratch, Stand2015, that treats hydrogen, nitrogen, carbon, and oxygen chemistry accurately within a temperature range between 100 and 30,000 K. Formation pathways for glycine and other organic molecules are included. The network is complete up to H6C2N2O3. Stand2015 is successfully tested against atmospheric chemistry models for HD 209458b, Jupiter, and the present-day Earth using a simple one-dimensional photochemistry/diffusion code. Our results for the early Earth agree with those of Kasting for CO2, H2, CO, and O2, but do not agree for water and atomic oxygen. We use the network to simulate an experiment where varied chemical initial conditions are irradiated by UV light. The result from our simulation is that more glycine is produced when more ammonia and methane is present. Very little glycine is produced in the absence of any molecular nitrogen and oxygen. This suggests that the production of glycine is inhibited if a gas is too strongly reducing. Possible applications and limitations of the chemical kinetics network are also discussed.

  8. Case study: Beauty and the Beast 3D: benefits of 3D viewing for 2D to 3D conversion

    NASA Astrophysics Data System (ADS)

    Handy Turner, Tara

    2010-02-01

    From the earliest stages of the Beauty and the Beast 3D conversion project, the advantages of accurate desk-side 3D viewing was evident. While designing and testing the 2D to 3D conversion process, the engineering team at Walt Disney Animation Studios proposed a 3D viewing configuration that not only allowed artists to "compose" stereoscopic 3D but also improved efficiency by allowing artists to instantly detect which image features were essential to the stereoscopic appeal of a shot and which features had minimal or even negative impact. At a time when few commercial 3D monitors were available and few software packages provided 3D desk-side output, the team designed their own prototype devices and collaborated with vendors to create a "3D composing" workstation. This paper outlines the display technologies explored, final choices made for Beauty and the Beast 3D, wish-lists for future development and a few rules of thumb for composing compelling 2D to 3D conversions.

  9. Mini 3D for shallow gas reconnaissance

    SciTech Connect

    Vallieres, T. des; Enns, D.; Kuehn, H.; Parron, D.; Lafet, Y.; Van Hulle, D.

    1996-12-31

    The Mini 3D project was undertaken by TOTAL and ELF with the support of CEPM (Comite d`Etudes Petrolieres et Marines) to define an economical method of obtaining 3D seismic HR data for shallow gas assessment. An experimental 3D survey was carried out with classical site survey techniques in the North Sea. From these data 19 simulations, were produced to compare different acquisition geometries ranging from dual, 600 m long cables to a single receiver. Results show that short offset, low fold and very simple streamer positioning are sufficient to give a reliable 3D image of gas charged bodies. The 3D data allow a much more accurate risk delineation than 2D HR data. Moreover on financial grounds Mini-3D is comparable in cost to a classical HR 2D survey. In view of these results, such HR 3D should now be the standard for shallow gas surveying.

  10. Ocean-atmosphere interactions in the emergence of complexity in simple chemical systems.

    PubMed

    Griffith, Elizabeth C; Tuck, Adrian F; Vaida, Veronica

    2012-12-18

    elimination of water. The fluctuating exposure of the large, recycling aerosol populations to radiation, pressure, temperature, and humidity over geological time allows complexity to emerge from simple molecular precursors. We propose an approach that connects chemical statistical thermodynamics and the macroscopic world of the planetary ocean and atmosphere.

  11. Advances in 3D visualization of air quality data

    NASA Astrophysics Data System (ADS)

    San José, R.; Pérez, J. L.; González, R. M.

    2012-10-01

    The air quality models produce a considerable amount of data, raw data can be hard to conceptualize, particularly when the size of the data sets can be terabytes, so to understand the atmospheric processes and consequences of air pollution it is necessary to analyse the results of the air pollution simulations. The basis of the development of the visualization is shaped by the requirements of the different group of users. We show different possibilities to represent 3D atmospheric data and geographic data. We present several examples developed with IDV software, which is a generic tool that can be used directly with the simulation results. The rest of solutions are specific applications developed by the authors which are the integration of different tools and technologies. In the case of the buildings has been necessary to make a 3D model from the buildings data using COLLADA standard format. In case of the Google Earth approach, for the atmospheric part we use Ferret software. In the case of gvSIG.-3D for the atmospheric visualization we have used different geometric figures available: "QuadPoints", "Polylines", "Spheres" and isosurfaces. The last one is also displayed following the VRML standard.

  12. 3D NLTE analysis of the most iron-deficient star, SMSS0313-6708

    NASA Astrophysics Data System (ADS)

    Nordlander, T.; Amarsi, A. M.; Lind, K.; Asplund, M.; Barklem, P. S.; Casey, A. R.; Collet, R.; Leenaarts, J.

    2017-01-01

    Context. Models of star formation in the early universe require a detailed understanding of accretion, fragmentation and radiative feedback in metal-free molecular clouds. Different simulations predict different initial mass functions of the first stars, ranging from predominantly low-mass (0.1-10 M⊙), to massive (10-100 M⊙), or even supermassive (100-1000 M⊙). The mass distribution of the first stars should lead to unique chemical imprints on the low-mass second and later generation metal-poor stars still in existence. The chemical composition of SMSS0313-6708, which has the lowest abundances of Ca and Fe of any star known, indicates it was enriched by a single massive supernova. Aims: The photospheres of metal-poor stars are relatively transparent in the UV, which may lead to large three-dimensional (3D) effects as well as departures from local thermodynamical equilibrium (LTE), even for weak spectral lines. If 3D effects and departures from LTE (NLTE) are ignored or treated incorrectly, errors in the inferred abundances may significantly bias the inferred properties of the polluting supernovae. We redetermine the chemical composition of SMSS0313-6708by means of the most realistic methods available, and compare the results to predicted supernova yields. Methods: A 3D hydrodynamical Staggermodel atmosphere and 3D NLTE radiative transfer were applied to obtain accurate abundances for Li, Na, Mg, Al, Ca and Fe. The model atoms employ realistic collisional rates, with no calibrated free parameters. Results: We find significantly higher abundances in 3D NLTE than 1D LTE by 0.8 dex for Fe, and 0.5 dex for Mg, Al and Ca, while Li and Na are unaffected to within 0.03 dex. In particular, our upper limit for [Fe/H] is now a factor ten larger, at [Fe/H] < -6.53 (3σ), than previous estimates based on ⟨ 3D ⟩NLTE (i.e., using averaged 3D models). This higher estimate is due to a conservative upper limit estimation, updated NLTE data, and 3D-⟨ 3D

  13. 3D Vortices in Protoplanetary Disks

    NASA Astrophysics Data System (ADS)

    Kamal, Samy; Barranco, Joseph; Marcus, Philip

    2010-11-01

    Like the atmosphere of Jupiter, protoplanetary disks (thin disks of gas & dust in orbit around newly-formed stars) are characterized by rapid rotation and intense shear, inspiring proposals that disks may also be populated with long-lived, robust storms analogous to the Great Red Spot. Such vortices may play key roles in the formation of stars and planets by transporting angular momentum, as well as trapping and concentrating dust grains, seeding the formation of planetesimals, the "building blocks" of planets. In our previous work (Barranco & Marcus 2005), we showed via numerical simulation (with an anelastic spectral code) that vortices near the midplane of the disk suffer an antisymmetric instability and are destroyed. However, internal gravity waves propagate away from the midplane, amplify and break, creating bands of vorticity that roll-up into new long-lived, stable vortices above and below the midplane. We will present new results on 3D vortex dynamics in protoplanetary disks, exploring the role of factors unique to this context: the Coriolis parameter f, the shear rate σ, and the Brunt-Väisälä frequency N are all of the same order of magnitude. In the region around the midplane Nf. This leads to strong refraction of internal gravity waves, causing the waves to amplify and break, generating vorticity.

  14. Emission Sources and Chemical Composition of the Atmosphere of a Mega-city in South Asia

    NASA Astrophysics Data System (ADS)

    Husain, L.; Farhana, B. K.; Ghauri, B. M.

    2007-05-01

    The environmental regulations in the countries in the western hemisphere have greatly decreased the concentrations of PM2.5, black carbon (BC), SO4, SO2, and trace elements. Owing to rapid industrialization, concentrations of many chemical species in South Asia are rising and are expected to continue to increase. The impact of aerosols on global climate and on human health would also increase with time. Therefore, we conducted an extensive campaign to determine PM2.5 mass, concentrations of 25 trace elements, 13 ions, black and organic carbon, acidic gases and NH3 in the mega-cities of Karachi (population, ~14.5 million), and Lahore (population, 10 million), Pakistan. Here we present the data from Lahore. Continuous sampling of PM2.5 (particulate matter of <2.5 µm aerodynamic diameter) and acidic and alkaline gases was carried out in winter (2005-2006) in Lahore which is highly impacted by urban and agricultural emissions but has remained unexplored in terms of atmospheric chemistry. While sampling continued from November 2005 to February 2006, it was possible to collect several samples during fog episodes. A low volume sampler equipped with two inlets was deployed for simultaneous collection of aerosol on quartz and PTFE filters, the latter being coupled to an annular diffusion denuder to collect acidic and alkaline gases. Water soluble ions in denuder gas samples and PM2.5 collected on PTFE filters were analyzed using ion chromatography, trace elements by ICP-MS, and organic and elemental carbon on quartz filters using thermal-optical carbon analyzer. Concentrations of BC were determined every 5 min with an Aethalometer. PM2.5 mass concentration varied an order of magnitude, 53 to 476 μg m-3 (mean, 191 μg m-3). Concentrations of the anthropogenic elements were exceedingly high, as much 100 to 1000 fold of those observed in cities such as New York. Maximum concentrations of BC, OC, Pb, Zn, SO4 2- , NH4+ were 110, 250, 12, 48, 66, and 60 μgm-3, respectively

  15. Main species and chemical pathways in cold atmospheric-pressure Ar + H2O plasmas

    NASA Astrophysics Data System (ADS)

    Liu, Dingxin; Sun, Bowen; Iza, Felipe; Xu, Dehui; Wang, Xiaohua; Rong, Mingzhe; Kong, Michael G.

    2017-04-01

    Cold atmospheric-pressure plasmas in Ar + H2O gas mixtures are a promising alternative to He + H2O plasmas as both can produce reactive oxygen species of relevance for many applications and argon is cheaper than helium. Although He + H2O plasmas have been the subject of multiple experimental and computational studies, Ar + H2O plasmas have received less attention. In this work we investigate the composition and chemical pathways in Ar + H2O plasmas by means of a global model that incorporates 57 species and 1228 chemical reactions. Water vapor concentrations from 1 ppm to saturation (32 000 ppm) are considered in the study and abrupt transitions in power dissipation channels, species densities and chemical pathways are found when the water concentration increases from 100 to 1000 ppm. In this region the plasma transitions from an electropositive discharge in which most power is coupled to electrons into an electronegative one in which most power is coupled to ions. While increasing electronegativity is also observed in He + H2O plasmas, in Ar + H2O plasmas the transition is more abrupt because Penning processes do not contribute to gas ionization and the changes in the electron energy distribution function and mean electron energy caused by the increasing water concentration result in electron-neutral excitation and ionization rates changing by many orders of magnitude in a relatively small range of water concentrations. Insights into the main chemical species and pathways governing the production and loss of electrons, O, OH, OH(A) and H2O2 are provided as part of the study.

  16. 3D quantitative phase imaging of neural networks using WDT

    NASA Astrophysics Data System (ADS)

    Kim, Taewoo; Liu, S. C.; Iyer, Raj; Gillette, Martha U.; Popescu, Gabriel

    2015-03-01

    White-light diffraction tomography (WDT) is a recently developed 3D imaging technique based on a quantitative phase imaging system called spatial light interference microscopy (SLIM). The technique has achieved a sub-micron resolution in all three directions with high sensitivity granted by the low-coherence of a white-light source. Demonstrations of the technique on single cell imaging have been presented previously; however, imaging on any larger sample, including a cluster of cells, has not been demonstrated using the technique. Neurons in an animal body form a highly complex and spatially organized 3D structure, which can be characterized by neuronal networks or circuits. Currently, the most common method of studying the 3D structure of neuron networks is by using a confocal fluorescence microscope, which requires fluorescence tagging with either transient membrane dyes or after fixation of the cells. Therefore, studies on neurons are often limited to samples that are chemically treated and/or dead. WDT presents a solution for imaging live neuron networks with a high spatial and temporal resolution, because it is a 3D imaging method that is label-free and non-invasive. Using this method, a mouse or rat hippocampal neuron culture and a mouse dorsal root ganglion (DRG) neuron culture have been imaged in order to see the extension of processes between the cells in 3D. Furthermore, the tomogram is compared with a confocal fluorescence image in order to investigate the 3D structure at synapses.

  17. Si delta-doped field-effect transistors by atmospheric pressure metalorganic chemical vapor deposition

    NASA Astrophysics Data System (ADS)

    Pan, N.; Carter, J.; Jackson, G. S.; Hendriks, H.; Zheng, X. L.; Kim, M. H.

    1991-07-01

    Si delta-doped GaAs field-effect transistors (FETs) are demonstrated by atmospheric pressure metalorganic chemical vapor deposition (MOCVD) and characterized by Hall-effect, capacitance-voltage (C-V), and Shubnikov de-Haas measurements. The Si delta doping was accomplished by interrupting the growth and flowing silane with controlled timing under an arsenic overpressure. Devices with 0.5 μm gate length (Ns=2.2×1012 cm-2) were fabricated with a maximum extrinsic transconductance of 140 mS/mm and a current gain cutoff frequency of 17 GHz. The transconductance as a function of gate voltage showed a plateau region through a range of 1.5 V further supporting spatial confinement of the electrons.

  18. Diamond synthesis at atmospheric pressure by microwave capillary plasma chemical vapor deposition

    NASA Astrophysics Data System (ADS)

    Hemawan, Kadek W.; Gou, Huiyang; Hemley, Russell J.

    2015-11-01

    Polycrystalline diamond has been synthesized on silicon substrates at atmospheric pressure, using a microwave capillary plasma chemical vapor deposition technique. The CH4/Ar plasma was generated inside of quartz capillary tubes using 2.45 GHz microwave excitation without adding H2 into the deposition gas chemistry. Electronically excited species of CN, C2, Ar, N2, CH, Hβ, and Hα were observed in the emission spectra. Raman measurements of deposited material indicate the formation of well-crystallized diamond, as evidenced by the sharp T2g phonon at 1333 cm-1 peak relative to the Raman features of graphitic carbon. Field emission scanning electron microscopy images reveal that, depending on the growth conditions, the carbon microstructures of grown films exhibit "coral" and "cauliflower-like" morphologies or well-facetted diamond crystals with grain sizes ranging from 100 nm to 10 μm.

  19. HPLC/atmospheric pressure chemical ionization-mass spectroscopy of eight regulated sulfonamides.

    PubMed

    Combs, M T; Ashraf-Khorassani, M; Taylor, L T

    1999-03-01

    Reversed phase high performance liquid chromatography coupled with on-line atmospheric pressure chemical ionization mass spectrometry, HPLC,APCI-MS, has been applied to a mixture of eight sulfonamides. In full scan mode, extracted ion chromatograms produced minimum detectable quantities (MDQ) of 0.8 ng on column, for six of the eight regulated sulfonamides investigated. Selected ion monitoring yielded a 50 pg MDQ for sulfamerazine, sulfadiazine and sulfamethazine, while, the other compounds presented higher values. Analysis of supercritical fluid extracts of chicken liver containing sulfadimethoxine were found to be easily detected by HPLC/APCI-MS. In extracts of chicken liver spiked with 25 microg/kg(-1) (25 ppb) of sulfadimethoxine this compound could be detected in selected ion mode, while 100 pg/microl(-1) was detectable in either full scan or single ion modes. The analysis method for extracted sulfadimethoxine also demonstrated good linearity and reproducibility in both single ion and scan mode.

  20. Gas Chromatography/Atmospheric Pressure Chemical Ionization Tandem Mass Spectrometry for Fingerprinting the Macondo Oil Spill.

    PubMed

    Lobodin, Vladislav V; Maksimova, Ekaterina V; Rodgers, Ryan P

    2016-07-05

    We report the first application of a new mass spectrometry technique (gas chromatography combined to atmospheric pressure chemical ionization tandem mass spectrometry, GC/APCI-MS/MS) for fingerprinting a crude oil and environmental samples from the largest accidental marine oil spill in history (the Macondo oil spill, the Gulf of Mexico, 2010). The fingerprinting of the oil spill is based on a trace analysis of petroleum biomarkers (steranes, diasteranes, and pentacyclic triterpanes) naturally occurring in crude oil. GC/APCI enables soft ionization of petroleum compounds that form abundant molecular ions without (or little) fragmentation. The ability to operate the instrument simultaneously in several tandem mass spectrometry (MS/MS) modes (e.g., full scan, product ion scan, reaction monitoring) significantly improves structural information content and sensitivity of analysis. For fingerprinting the oil spill, we constructed diagrams and conducted correlation studies that measure the similarity between environmental samples and enable us to differentiate the Macondo oil spill from other sources.

  1. Thermodynamic analysis of chemical stability of ceramic materials in hydrogen-containing atmospheres at high temperatures

    NASA Technical Reports Server (NTRS)

    Misra, Ajay K.

    1990-01-01

    The chemical stability of several ceramic materials in hydrogen-containing environments was analyzed with thermodynamic considerations in mind. Equilibrium calculations were made as a function of temperature, moisture content, and total system pressure. The following ceramic materials were considered in this study: SiC, Si3N4, SiO2, Al2O3, mullite, ZrO2, Y2O3, CaO, MgO, BeO, TiB2, TiC, HfC, and ZrC. On the basis of purely thermodynamic arguments, upper temperature limits are suggested for each material for long-term use in H2-containing atmospheres.

  2. Diamond synthesis at atmospheric pressure by microwave capillary plasma chemical vapor deposition

    DOE PAGES

    Gou, Huiyang; Hemley, Russell J.; Hemawan, Kadek W.

    2015-11-02

    Polycrystalline diamond has been successfully synthesized on silicon substrates at atmospheric pressure using a microwave capillary plasma chemical vapor deposition technique. The CH4/Ar plasma was generated inside of quartz capillary tubes using 2.45 GHz microwave excitation without adding H2 into the deposition gas chemistry. Electronically excited species of CN, C2, Ar, N2, CH, Hβ and Hα were observed in emission spectra. Raman measurements of deposited material indicate the formation of well-crystallized diamond, as evidenced by the sharp T2g phonon at 1333 cm-1 peak relative to the Raman features of graphitic carbon. Furthermore, field emission scanning electron microscopy (SEM) images revealmore » that, depending on the on growth conditions, the carbon microstructures of grown films exhibit “coral” and “cauliflower-like” morphologies or well-facetted diamond crystals with grain sizes ranging from 100 nm to 10 μm.« less

  3. Atmospheric Pressure Chemical Vapor Deposition of Graphene Using a Liquid Benzene Precursor.

    PubMed

    Kang, Cheong; Jung, Da Hee; Lee, Jin Seok

    2015-11-01

    Graphene has attracted great attention owing to its unique structural and electrical properties. Among various synthetic approaches of the graphene, metal assisted chemical vapor deposition (CVD) is the most reasonable and proper method to produce large-scale and low-defect graphene films. Until now, CVD from gaseous hydrocarbon sources has shown great promises for large-scale graphen