Science.gov

Sample records for 1-d photochemical model

  1. 1D-coupled photochemical model of neutrals, cations and anions in the atmosphere of Titan

    NASA Astrophysics Data System (ADS)

    Dobrijevic, M.; Loison, J. C.; Hickson, K. M.; Gronoff, G.

    2016-04-01

    Many models with different characteristics have been published so far to study the chemical processes at work in Titan's atmosphere. Some models focus on neutral species in the stratosphere or ionic species in the ionosphere, but few of them couple all the species throughout the whole atmosphere. Very few of these emphasize the importance of uncertainties in the chemical scheme and study their propagation in the model. We have developed a new 1D-photochemical model of Titan's atmosphere coupling neutral species with positive and negative ions from the lower atmosphere up to the ionosphere and have compared our results with observations to have a comprehensive view of the chemical processes driving the composition of the stratosphere and ionosphere of Titan. We have updated the neutral, positive ion and negative ion chemistry and have improved the description of N2 photodissociation by introducing high resolution N2 absorption cross sections. We performed for the first time an uncertainty propagation study in a fully coupled ion-neutral model. We determine how uncertainties on rate constants on both neutral and ionic reactions influence the model results and pinpoint the key reactions responsible for this behavior. We find very good agreement between our model results and observations in both the stratosphere and in the ionosphere for most neutral compounds. Our results are also in good agreement with an average INMS mass spectrum and specific flybys in the dayside suggesting that our chemical model (for both neutral and ions) provides a good approximation of Titan's atmospheric chemistry as a whole. Our uncertainty propagation study highlights the difficulty to interpret the INMS mass spectra for masses 14, 31, 41 and we identified the key reactions responsible for these ambiguities. Despite an overall improvement in the chemical model, disagreement for some specific compounds (HC3N, C2H5CN, C2H4) highlights the role that certain physical processes could play

  2. Testing the early Mars H2-CO2 greenhouse hypothesis with a 1-D photochemical model

    NASA Astrophysics Data System (ADS)

    Batalha, Natasha; Domagal-Goldman, Shawn D.; Ramirez, Ramses; Kasting, James F.

    2015-09-01

    A recent study by Ramirez et al. (Ramirez, R.M. et al. [2014]. Nat. Geosci. 7(1), 59-63.) demonstrated that an atmosphere with 1.3-4 bar of CO2 and H2O, in addition to 5-20% H2, could have raised the mean annual and global surface temperature of early Mars above the freezing point of water. Such warm temperatures appear necessary to generate the rainfall (or snowfall) amounts required to carve the ancient martian valleys. Here, we use our best estimates for early martian outgassing rates, along with a 1-D photochemical model, to assess the conversion efficiency of CO, CH4, and H2S to CO2, SO2, and H2. Our outgassing estimates assume that Mars was actively recycling volatiles between its crust and interior, as Earth does today. H2 production from serpentinization and deposition of banded iron-formations is also considered. Under these assumptions, maintaining an H2 concentration of ˜1-2% by volume is achievable, but reaching 5% H2 requires additional H2 sources or a slowing of the hydrogen escape rate below the diffusion limit. If the early martian atmosphere was indeed H2-rich, we might be able to see evidence of this in the rock record. The hypothesis proposed here is consistent with new data from the Curiosity Rover, which show evidence for a long-lived lake in Gale Crater near Mt. Sharp. It is also consistent with measured oxygen fugacities of martian meteorites, which show evidence for progressive mantle oxidation over time.

  3. Photochemical Phenomenology Model for the New Millennium

    NASA Technical Reports Server (NTRS)

    Bishop, James; Evans, J. Scott

    2001-01-01

    The "Photochemical Phenomenology Model for the New Millennium" project tackles the issue of reengineering and extension of validated physics-based modeling capabilities ("legacy" computer codes) to application-oriented software for use in science and science-support activities. While the design and architecture layouts are in terms of general particle distributions involved in scattering, impact, and reactive interactions, initial Photochemical Phenomenology Modeling Tool (PPMT) implementations are aimed at construction and evaluation of photochemical transport models with rapid execution for use in remote sensing data analysis activities in distributed systems. Current focus is on the Composite Infrared Spectrometer (CIRS) data acquired during the CASSINI flyby of Jupiter. Overall, the project has stayed on the development track outlined in the Year 1 annual report and most Year 2 goals have been met. The issues that have required the most attention are: implementation of the core photochemistry algorithms; implementation of a functional Java Graphical User Interface; completion of a functional CORBA Component Model framework; and assessment of performance issues. Specific accomplishments and the difficulties encountered are summarized in this report. Work to be carried out in the next year center on: completion of testing of the initial operational implementation; its application to analysis of the CASSINI/CIRS Jovian flyby data; extension of the PPMT to incorporate additional phenomenology algorithms; and delivery of a mature operational implementation.

  4. Revisions to Photochemical Data for Use in Atmospheric Modeling

    NASA Technical Reports Server (NTRS)

    Shutter, Joshua D.; Willacy, Karen; Allen, Mark

    2012-01-01

    Solar and stellar flux incident on an atmosphere can cause molecules to dissociate into highly reactive species and allows for photochemical processes to play a fundamental role in atmospheric chemistry. While models have tried to simulate such processes, they are extremely sensitive to photoabsorption cross-sections and quantum yields: two parameters that are important in determining the photodissociation rate, and hence the lifetime, of atmospheric compounds. Obtaining high-resolution and current data for these parameters is therefore highly desirable. Due to this, database and literature searches for high-quality cross-sections and quantum yields were performed and compiled for KINETICS, a Caltech/JPL Chemical Transport Model that can be used in modeling planetary atmospheres. Furthermore, photodissociation rates determined by running a Titan 1-D model were used to verify the completeness of these latest revisions.

  5. Photochemical modeling of the Earth's stratosphere

    NASA Astrophysics Data System (ADS)

    Froidevaux, L.

    A one-dimensional photochemical model of the Earth's stratosphere in order to provide an up-to-date comparison with mid-latitude observations. Scattered solar flux measurements (at 40 km) by J. R. Herman and J. E. Mentall. A 10% ratio of scattered to direct flux at 200 nm is unexplainable, without the existence of an unknown scattering component. The first-order effects of the inclusion of the diffuse radiation in a spherical shell atmosphere, for solar zenith angles close to 90 degrees were demonstrated. Changes in model concentrations are largest for short-lived radicals such as O, OH, CIO, and NO in the lower stratosphere, but relatively small compared to current observational uncertanties. We propose that a significant overestimate of the molecular oxygen absorption cross section near 210 nm is in large part responsible for the discrepancy between observed and modeled vertical profiles of some halocarbons (CFCI3 in particular).

  6. Brady 1D seismic velocity model ambient noise prelim

    DOE Data Explorer

    Mellors, Robert J.

    2013-10-25

    Preliminary 1D seismic velocity model derived from ambient noise correlation. 28 Green's functions filtered between 4-10 Hz for Vp, Vs, and Qs were calculated. 1D model estimated for each path. The final model is a median of the individual models. Resolution is best for the top 1 km. Poorly constrained with increasing depth.

  7. Photochemical Phenomenology Model for the New Millenium

    NASA Technical Reports Server (NTRS)

    Bishop, James; Evans, J. Scott

    2000-01-01

    This project tackles the problem of conversion of validated a priori physics-based modeling capabilities, specifically those relevant to the analysis and interpretation of planetary atmosphere observations, to application-oriented software for use in science and science-support activities. The software package under development, named the Photochemical Phenomenology Modeling Tool (PPMT), has particular focus on the atmospheric remote sensing data to be acquired by the CIRS instrument during the CASSINI Jupiter flyby and orbital tour of the Saturnian system. Overall, the project has followed the development outline given in the original proposal, and the Year 1 design and architecture goals have been met. Specific accomplishments and the difficulties encountered are summarized in this report. Most of the effort has gone into complete definition of the PPMT interfaces within the context of today's IT arena: adoption and adherence to the CORBA Component Model (CCM) has yielded a solid architecture basis, and CORBA-related issues (services, specification options, development plans, etc.) have been largely resolved. Implementation goals have been redirected somewhat so as to be more relevant to the upcoming CASSINI flyby of Jupiter, with focus now being more on data analysis and remote sensing retrieval applications.

  8. A photochemical model of the martian atmosphere

    NASA Technical Reports Server (NTRS)

    Nair, Hari; Allen, Mark; Anbar, Ariel D.; Yung, Yuk L; Clancy, R. Todd

    1994-01-01

    The factors governing the amounts of CO, O2, and O3 in the martian atmposphere are investigated using a minimally constrained, one-dimensional photochemical model. We find that the incorporation of temperature-dependent CO2 absorption cross sections leads to an enhancement in the water photolysis rate, increasing the abundance of OH radicals to the point where the model CO abundance is smaller that observed. Good agreement between models and observations of CO, O2, O3, and the escape flux of atomic hydrogen can be achieved, using only gas-phase chemistry, by varying the recommended rate constraints for the reaction CO + OH and OH + HO2 within their specified uncertainties. The oxygen escape flux plays a key role in the oxygen budget on Mars; as inferred from the observed atomic hydrogen escape, it is much larger than recent calculations of the exospheric escape rate for oxygen. Weathering of the surface may account for the imbalance. We also consider the possiblity that HO(x) radicals may be catalytically destroyed on dust grains suspended in the atmosphere. Good agreement with the observed CO mixing ratio can be achieved via this mechanism, but the resulting ozone column is much higher than the observed quantity.

  9. Modeling an electric motor in 1-D

    NASA Technical Reports Server (NTRS)

    Butler, Thomas G.

    1991-01-01

    Quite often the dynamicist will be faced with having an electric drive motor as a link in the elastic path of a structure such that the motor's characteristics must be taken into account to properly represent the dynamics of the primary structure. He does not want to model it so accurately that he could get detailed stress and displacements in the motor proper, but just sufficiently to represent its inertia loading and elastic behavior from its mounting bolts to its drive coupling. Described here is how the rotor and stator of such a motor can be adequately modeled as a colinear pair of beams.

  10. A photochemical model of the martian atmosphere.

    PubMed

    Nair, H; Allen, M; Anbar, A D; Yung, Y L; Clancy, R T

    1994-09-01

    The factors governing the amounts of CO, O2, and O3 in the martian atmosphere are investigated using a minimally constrained, one-dimensional photochemical model. We find that the incorporation of temperature-dependent CO2 absorption cross sections leads to an enhancement in the water photolysis rate, increasing the abundance of OH radicals to the point where the model CO abundance is smaller than observed. Good agreement between models and observations of CO, O2, O3, and the escape flux of atomic hydrogen can be achieved, using only gas-phase chemistry, by varying the recommended rate constants for the reactions CO + OH and OH + HO2 within their specified uncertainties. Similar revisions have been suggested to resolve discrepancies between models and observations of the terrestrial mesosphere. The oxygen escape flux plays a key role in the oxygen budget on Mars; as inferred from the observed atomic hydrogen escape, it is much larger than recent calculations of the exospheric escape rate for oxygen. Weathering of the surface may account for the imbalance. Quantification of the escape rates of oxygen and hydrogen from Mars is a worthwhile objective for an upcoming martian upper atmospheric mission. We also consider the possibility that HOx radicals may be catalytically destroyed on dust grains suspended in the atmosphere. Good agreement with the observed CO mixing ratio can be achieved via this mechanism, but the resulting ozone column is much higher than the observed quantity. We feel that there is no need at this time to invoke heterogeneous processes to reconcile models and observations. PMID:11539176

  11. Chemical kinetics and photochemical data for use in stratospheric modeling

    NASA Technical Reports Server (NTRS)

    Demore, W. B.; Margitan, J. J.; Molina, M. J.; Watson, R. T.; Golden, D. M.; Hampson, R. F.; Kurylo, M. J.; Howard, C. J.; Ravishankara, A. R.

    1985-01-01

    Rate constants and photochemical cross sections are presented. The primary application of the data is for modeling of the stratospheric processes, with particular emphasis on the ozone layer and its possible perturbation by anthropogenic and natural phenomena.

  12. Photochemical Modeling of the Venus Middle Atmosphere

    NASA Astrophysics Data System (ADS)

    Mills, F. P.; Allen, M. A.; Yung, Y. L.; Lin, A.

    1997-07-01

    The primary photochemical cycle of the Venus middle atmosphere is the photolysis of CO_2 to form CO and oxygen atoms on the dayside, and the re-formation of CO_2 from CO and oxygen via catalytic cycles. Previous modeling used ClO_x [Krasnopolsky & Parshev 1983, Yung & DeMore 1982], SO_x [Winick & Stewart 1980], and HO_x [Sze & McElroy 1975] radicals to catalyze the re-formation of CO_2. These models qualitatively explained the stability of Venus' CO_2 atmosphere, but, despite the powerful catalytic cycles introduced, none could quantitatively explain either the low column abundance of molecular oxygen (two-sigma upper limit of ~ 0.3 - 1.0 x 10(18) molecules cm(-2) depending on the assumed altitude for optical depth unity, Trauger & Lunine 1983) or the intense nightside airglow in the O_2 ((1) Delta ) band. We have developed a revised one-dimensional, steady-state model based on the latest kinetic and photoabsorption data and observations of the abundances of HCl, SO_2, SO, and H_2O. The vertical eddy diffusion profile and the abundance of SO_2 at the lower boundary (58-km altitude) were adjusted to simultaneously reproduce (within the stated error bars and temporal/spatial variability) the retrieved SO profile [Na et al. 1994], the retrieved SO_2 abundance and scale height at the cloud tops [Na et al. 1994], and the retrieved CO profile [Clancy & Muhleman 1991]. Using only gas-phase chemistry, the predicted column abundance of molecular oxygen (above 58-km altitude) has been reduced to ~ 3 x 10(18) molecules cm(-2) by adjusting the rates for selected reactions within their one-sigma uncertainties. Although still larger than the observed upper limit, this column abundance is a factor of 10 smaller than would have been predicted using the Yung & DeMore 1982 model with the currently accepted abundance for HCl (0.4 ppm, Connes et al. 1967, Pollack et al. 1993). Our preliminary results affirm the importance of the ClO_x catalytic cycles in the chemistry of the Venus

  13. GIS-BASED 1-D DIFFUSIVE WAVE OVERLAND FLOW MODEL

    SciTech Connect

    KALYANAPU, ALFRED; MCPHERSON, TIMOTHY N.; BURIAN, STEVEN J.

    2007-01-17

    This paper presents a GIS-based 1-d distributed overland flow model and summarizes an application to simulate a flood event. The model estimates infiltration using the Green-Ampt approach and routes excess rainfall using the 1-d diffusive wave approximation. The model was designed to use readily available topographic, soils, and land use/land cover data and rainfall predictions from a meteorological model. An assessment of model performance was performed for a small catchment and a large watershed, both in urban environments. Simulated runoff hydrographs were compared to observations for a selected set of validation events. Results confirmed the model provides reasonable predictions in a short period of time.

  14. Promotion of nano-anatase TiO 2 on the spectral responses and photochemical activities of D1/D2/Cyt b559 complex of spinach

    NASA Astrophysics Data System (ADS)

    Su, Mingyu; Liu, Huiting; Liu, Chao; Qu, Chunxiang; Zheng, Lei; Hong, Fashui

    2009-06-01

    Previous researches approved that photocatalysis activity of nano-TiO 2 could obviously increase photosynthetic effects of spinach, but the mechanism of improving light energy transfer and conversion is still unclear. In the present we investigated effects of nano-anatase TiO 2 on the spectral responses and photochemical activities of D1/D2/Cyt b559 complex of spinach. Several effects of nano-anatase TiO 2 were observed: (1) UV-vis spectrum was blue shifted in both Soret and Q bands, and the absorption intensity was obviously increased; (2) resonance Raman spectrum showed four main peaks, which are ascribed to carotene, and the Raman peak intensity was as 6.98 times as that of the control; (3) the fluorescence emission peak was blue shifted and the intensity was decreased by 23.59%; (4) the DCPIP photoreduction activity showed 129.24% enhancement; (5) the oxygen-evolving rate of PS II was elevated by 51.89%. Taken together, the studies of the experiments showed that nano-anatase TiO 2 had bound to D1/D2/Cyt b559 complex, promoted the spectral responses, leading to the improvement of primary electron separation, electron transfer and light energy conversion of D1/D2/Cyt b559 complex.

  15. An updated hydrocarbon photochemical model for the Jovian atmosphere from the troposphere through the homopause: A prelude to Galileo

    NASA Technical Reports Server (NTRS)

    Allen, M.; Gladstone, G. R.; Yung, Y. L.

    1986-01-01

    A photochemical model for the atmosphere of Jupiter, including 1-D vertical eddy diffusive transport, was developed. It extends from the upper troposphere through the homopause. The hydrocarbon chemistry involves species containing up to four carbon atoms (and polyynes through C8H2). The calculations show that a large fraction of photochemical carbon may be contained in molecules with more than two carbon atoms. At the tropopause, C2H6 is the major photochemical species and C2H2, C3H8, and C4H10 are of comparable abundance and down from C2H6 by a factor of ten. These species may be detectable with the mass spectrometer of the Galileo Probe. The vertical distributions of the photochemical species are sensitive to the magnitude of eddy diffusive mixing in the troposphere and stratosphere and the details of the interface region.

  16. Non-cooperative Brownian donkeys: A solvable 1D model

    NASA Astrophysics Data System (ADS)

    Jiménez de Cisneros, B.; Reimann, P.; Parrondo, J. M. R.

    2003-12-01

    A paradigmatic 1D model for Brownian motion in a spatially symmetric, periodic system is tackled analytically. Upon application of an external static force F the system's response is an average current which is positive for F < 0 and negative for F > 0 (absolute negative mobility). Under suitable conditions, the system approaches 100% efficiency when working against the external force F.

  17. Chemical kinetics and photochemical data for use in stratospheric modeling

    NASA Technical Reports Server (NTRS)

    Demore, W. B.; Sander, S. P.; Golden, D. M.; Hampson, R. F.; Kurylo, M. J.; Howard, C. J.; Ravishankara, A. R.; Kolb, C. E.; Molina, M. J.

    1992-01-01

    As part of a series of evaluated sets, rate constants and photochemical cross sections compiled by the NASA Panel for Data Evaluation are provided. The primary application of the data is in the modeling of stratospheric processes, with particular emphasis on the ozone layer and its possible perturbation by anthropogenic and natural phenomena. Copies of this evaluation are available from the Jet Propulsion Laboratory.

  18. Chemical kinetic and photochemical data for use in stratospheric modelling

    NASA Technical Reports Server (NTRS)

    Demore, W. B.; Stief, L. J.; Kaufman, F.; Golden, D. M.; Hampton, R. F.; Kurylo, M. J.; Margitan, J. J.; Molina, M. J.; Watson, R. T.

    1979-01-01

    An evaluated set of rate constants and photochemical cross sections were compiled for use in modelling stratospheric processes. The data are primarily relevant to the ozone layer, and its possible perturbation by anthropogenic activities. The evaluation is current to, approximately, January, 1979.

  19. Structural stability of a 1D compressible viscoelastic fluid model

    NASA Astrophysics Data System (ADS)

    Huo, Xiaokai; Yong, Wen-An

    2016-07-01

    This paper is concerned with a compressible viscoelastic fluid model proposed by Öttinger. Although the model has a convex entropy, the Hessian matrix of the entropy does not symmetrize the system of first-order partial differential equations due to the non-conservative terms in the constitutive equation. We show that the corresponding 1D model is symmetrizable hyperbolic and dissipative and satisfies the Kawashima condition. Based on these, we prove the global existence of smooth solutions near equilibrium and justify the compatibility of the model with the Navier-Stokes equations.

  20. Nonlocal Order Parameters for the 1D Hubbard Model

    NASA Astrophysics Data System (ADS)

    Montorsi, Arianna; Roncaglia, Marco

    2012-12-01

    We characterize the Mott-insulator and Luther-Emery phases of the 1D Hubbard model through correlators that measure the parity of spin and charge strings along the chain. These nonlocal quantities order in the corresponding gapped phases and vanish at the critical point Uc=0, thus configuring as hidden order parameters. The Mott insulator consists of bound doublon-holon pairs, which in the Luther-Emery phase turn into electron pairs with opposite spins, both unbinding at Uc. The behavior of the parity correlators is captured by an effective free spinless fermion model.

  1. A simple quasi-1D model of Fibonacci anyons

    NASA Astrophysics Data System (ADS)

    Aasen, David; Mong, Roger; Clarke, David; Alicea, Jason; Fendley, Paul

    2015-03-01

    There exists various ways of understanding the topological properties of Ising anyons--from simple free-fermion toy models to formal topological quantum field theory. For other types of anyons simple toy models rarely exist; their properties have to be obtained using formal self-consistency relations. We explore a family of gapped 1D local bosonic models that in a certain limit become trivial to solve and provide an intuitive picture for Fibonacci anyons. One can interpret this model as a quasi-1D wire that forms the building block of a 2D topological phase with Fibonacci anyons. With this interpretation all topological properties of the Fibonacci anyons become manifest including ground state degeneracy and braid relations. We conjecture that the structure of the model is protected by an emergent symmetry analogous to fermion parity. 1) NSF Grant DMR-1341822 2) Institute for Quantum Information and Matter, an NSF physics frontier center with support from the Moore Foundation. 3) NSERC-PGSD.

  2. Numerical photochemical modeling over Madrid (Spain) mesoscale urban area

    NASA Astrophysics Data System (ADS)

    San Jose, Roberto; Ramirez-Montesinos, Arturo; Marcelo, Luis M.; Sanz, Miguel A.; Rodriguez, Luis M.

    1995-09-01

    Photochemical air quality models provide the most defensible method for relating future air quality to changes in emission, and hence are the foundation for determining the effectiveness of proposed control strategies. In this contribution, we will show results from different photochemical schemes under typical emission conditions for a summer day in the Madrid mesocsale urban area. We will show that complex numerical integrated urban mesoscale models are a powerful tool to predict the ozone levels on this area. The comparison of model simulations at different grid points show an acceptable preliminary behavior. The results presented in this paper are prepared for August 15th, 1991 and the predicted ozone values are compared with those measured at two stations of the Madrid city monitoring network. Results show that the shape is successfully predicted by using the NUFOMO (numerical photochemical model) model. Because of the computer limitations, we have limited the results to this case study. Further investigations will provide additional information to produce a statistical analysis of the results. However, preliminary results show that the NUFOMO model is able to reproduce the measured ozone values.

  3. Computer Modelling of Photochemical Smog Formation

    ERIC Educational Resources Information Center

    Huebert, Barry J.

    1974-01-01

    Discusses a computer program that has been used in environmental chemistry courses as an example of modelling as a vehicle for teaching chemical dynamics, and as a demonstration of some of the factors which affect the production of smog. (Author/GS)

  4. Examination of 1D Solar Cell Model Limitations Using 3D SPICE Modeling: Preprint

    SciTech Connect

    McMahon, W. E.; Olson, J. M.; Geisz, J. F.; Friedman, D. J.

    2012-06-01

    To examine the limitations of one-dimensional (1D) solar cell modeling, 3D SPICE-based modeling is used to examine in detail the validity of the 1D assumptions as a function of sheet resistance for a model cell. The internal voltages and current densities produced by this modeling give additional insight into the differences between the 1D and 3D models.

  5. Photochemical trajectory modelling studies of the 1987 Antarctic spring vortex

    NASA Technical Reports Server (NTRS)

    Austin, J.; Jones, R. L.; Mckenna, D. S.

    1988-01-01

    Simulations of Antarctic ozone photochemistry performed using a photochemical model integrated along air parcel trajectories are described. This type of model has a major advantage at high latitudes of being able to simulate correctly the complex interaction between photolysis and temperature fields, which, because of the polar night cannot be represented accurately in a zonally averaged framework. Isentropic air parcel trajectories were computed using Meteorological Office global model analyses and forecast fields from positions along the ER-2 flight paths during the Airborne Antarctic Ozone Experiment in Austral Spring 1987. A photochemical model is integrated along these trajectories using the aircraft observations to initialize constituent concentrations. The model includes additional reactions of the ClO dimer and also bromine reactions, which are thought to play a significant role in Antarctica. The model also includes heterogeneous reactions which are invoked when the air parcel passes through a polar stratospheric cloud (PSC). The existence of a PSC is determined throughout the course of the model integration from the parcel temperature and the saturated vapour pressure of water over an assumed H2O/HNO3 mixture. The air parcel temperature is used to determine the saturated vapor pressure of HNO3 over the same mixture. Mixing ratios which exceed saturation result in condensation of the excess in the model and hence lead to a reduction of the amount of gas phase NO2 available for chemical reaction.

  6. Photochemical urban airshed modeling using diagnostic and dynamic meteorological fields

    NASA Astrophysics Data System (ADS)

    Godowitch, J. M.; Vukovich, J. M.

    1994-06-01

    Spatial pollutant patterns and peak concentrations are strongly influenced by meteorological parameters. Therefore, accurate hourly, gridded meteorological data sets are crucial inputs for photochemical modeling. An effort has been underway to apply both diagnostic and dynamic meteorological models in order to generate inputs needed in photochemical grid model simulations. The model being employed is a modified version of the Urban Airshed Model (UAM), which was designed to accept input files generated from both meteorological approaches. The diagnostic meteorological model (UAMMET) relies on routine or intensive measurements to generate hourly 3-D gridded fields of winds, temperatures, vertical eddy diffusivities, photolytic rates, and hourly spatially-varying fields of mixing height and deposition velocities. The diagnostic wind model (DWM) is a key module used generate 3-D wind fields. A dynamic mesoscale meteorological model (a numerical hydrostatic code equipped with a four-dimensional data assimilation technique) generates a gridded meteorological output file, which is post-processed through an interface program to create UAM-compatible wind and mixing height files. In this effort, both meteorological models were exercised in two different urban domains situated next to water bodies and with significant terrain features (i.e., greater metropolitan NYC and LA basin). Results of simulations with the modified UAM model were evaluated in order to investigate the impact on modeled ozone patterns and peak concentrations using inputs from these two meteorological approaches. A historical high ozone day in the NYC domain was simulated which exhibited a strong large scale flow pattern conducive to interurban transport along the northeastern coast. The evaluation results revealed absolute errors were comparable (about 22%) among the simulations, however, higher peak ozone was obtained using dynamically generated wind fields. Results from simulations of an ozone episode

  7. Global emissions and models of photochemically active compounds

    SciTech Connect

    Penner, J.E.; Atherton, C.S.; Graedel, T.E.

    1993-05-20

    Anthropogenic emissions from industrial activity, fossil fuel combustion, and biomass burning are now known to be large enough (relative to natural sources) to perturb the chemistry of vast regions of the troposphere. A goal of the IGAC Global Emissions Inventory Activity (GEIA) is to provide authoritative and reliable emissions inventories on a 1{degree} {times} 1{degree} grid. When combined with atmospheric photochemical models, these high quality emissions inventories may be used to predict the concentrations of major photochemical products. Comparison of model results with measurements of pertinent species allows us to understand whether there are major shortcomings in our understanding of tropospheric photochemistry, the budgets and transport of trace species, and their effects in the atmosphere. Through this activity, we are building the capability to make confident predictions of the future consequences of anthropogenic emissions. This paper compares IGAC recommended emissions inventories for reactive nitrogen and sulfur dioxide to those that have been in use previously. We also present results from the three-dimensional LLNL atmospheric chemistry model that show how emissions of anthropogenic nitrogen oxides might potentially affect tropospheric ozone and OH concentrations and how emissions of anthropogenic sulfur increase sulfate aerosol loadings.

  8. 1-D Tremor Streaks: Implications for a Streak Source Model

    NASA Astrophysics Data System (ADS)

    Houston, H.; Ghosh, A.; Vidale, J. E.

    2009-12-01

    Recent observations of non-volcanic tremor in Cascadia and Japan show “streaks” of tremor moving up and down dip in a convergence-parallel direction at “driving velocities” (i.e., 30 to 120 km/hr). Streak lengths of 30 to 40 km are occasionally observed. We explore the implications of these observations for a source model and spectrum of tremor. Key elements involve the extreme geometry and slow “rupture velocity” implied by the streaks. The source spectrum of tremor and other ETS seismic radiation exhibits a spectral falloff roughly as the inverse of frequency (1/f) in contrast to that of earthquakes, which follow a spectral falloff of 1/f squared above a corner frequency. Nevertheless, several observations suggest that the deformation that generates tremor is shear slip in the plate convergence direction. A fundamental question, then, has been what slip source could produce such an observed 1/f falloff over a wide frequency range. We propose a kinematic model, consistent with the 1-D geometry of the tremor streaks, in which fault displacement and width are strongly limited and rupture growth occurs only along fault length, which is oriented in a convergence-parallel direction (up or down dip). This is a version of the well-known Haskell model in which the durations of the two boxcars are very different. A 1/f spectral falloff holds between the corner frequencies associated with the two durations. Thus, the frequency range of the observed 1/f spectral falloff of tremor provides constraints on the durations of the boxcars. Further constraints involve the maximum likely displacement in an ETS event, the rupture velocities of the streaks, and the moment release rate. The narrow streak geometry implies fairly high strain and stress drops, in contrast to the low overall stress drops inferred from tidal modulation of tremor and the low strain across the entire ETS region. The observation of tremor streaks migrating at 10's of km/hour, in conjunction with the

  9. 2D-photochemical model for forbidden oxygen line emission for comet 1P/Halley

    NASA Astrophysics Data System (ADS)

    Cessateur, G.; De Keyser, J.; Maggiolo, R.; Rubin, M.; Gronoff, G.; Gibbons, A.; Jehin, E.; Dhooghe, F.; Gunell, H.; Vaeck, N.; Loreau, J.

    2016-08-01

    We present here a 2D-model of photochemistry for computing the production and loss mechanisms of the O(1S) and O(1D) states, which are responsible for the emission lines at 577.7 nm, 630 nm, and 636.4 nm, in case of the comet 1P/Halley. The presence of O2 within cometary atmospheres, measured by the in-situ ROSETTA and GIOTTO missions, necessitates a revision of the usual photochemical models. Indeed, the photodissociation of molecular oxygen also leads to a significant production of oxygen in excited electronic states. In order to correctly model the solar UV flux absorption, we consider here a 2D configuration. While the green to red-doublet ratio is not affected by the solar UV flux absorption, estimates of the red-doublet and green lines emissions are, however, overestimated by a factor of two in the 1D model compared to the 2D model. Considering a spherical symmetry, emission maps can be deduced from the 2D model in order to be directly compared to ground and/or in-situ observations.

  10. Photochemical trajectory modeling of ozone concentrations in Hong Kong.

    PubMed

    Cheng, H R; Saunders, S M; Guo, H; Louie, P K K; Jiang, F

    2013-09-01

    In this study, tropical cyclones over the East and South China Seas were found to be the most predominant weather conditions associated with the occurrence of high ozone (O3) episodes in Hong Kong in 2005-2009. A photochemical trajectory model coupled with Master Chemical Mechanism (MCM) was adapted to simulate the O3 concentrations during two O3 pollution episodes. The results agreed well with the observed data. A representative backward air mass trajectory was used to determine the contribution of each volatile organic compound (VOC) to the O3 levels. After taking into account both reactivity and mass emission of each VOC, 10 species were found to be the key O3 precursors in Hong Kong. Further analysis identified solvent related products accounting for 70% of the modeled O3 concentration in Hong Kong. The results highlight the importance of considering together reactivity and source sector emissions in developing targeted VOC reduction for O3 abatement strategies.

  11. Photochemical-dynamical models of externally FUV irradiated protoplanetary discs

    NASA Astrophysics Data System (ADS)

    Haworth, Thomas J.; Boubert, Douglas; Facchini, Stefano; Bisbas, Thomas G.; Clarke, Cathie J.

    2016-09-01

    There is growing theoretical and observational evidence that protoplanetary disc evolution may be significantly affected by the canonical levels of far ultraviolet (FUV) radiation found in a star forming environment, leading to substantial stripping of material from the disc outer edge even in the absence of nearby massive stars. In this paper we perform the first full radiation hydrodynamic simulations of the flow from the outer rim of protoplanetary discs externally irradiated by such intermediate strength FUV fields, including direct modelling of the photon dominated region (PDR) which is required to accurately compute the thermal properties. We find excellent agreement between our models and the semi-analytic models of Facchini et al. (2016) for the profile of the flow itself, as well as the mass loss rate and location of their "critical radius". This both validates their results (which differed significantly from prior semi-analytic estimates) and our new numerical method, the latter of which can now be applied to elements of the problem that the semi-analytic approaches are incapable of modelling. We also obtain the composition of the flow, but given the simple geometry of our models we can only hint at some diagnostics for future observations of externally irradiated discs at this stage. We also discuss the potential for these models as benchmarks for future photochemical-dynamical codes.

  12. Transport and photochemical modeling. Studies of atmospheric species

    NASA Technical Reports Server (NTRS)

    Natarajan, M.

    1987-01-01

    A program of research studies related to the photochemistry, radiative transfer, and dynamics of the stratosphere is described. Investigations were conducted in two broad areas: (1) studies of the stratospheric processes and their response to external perturbations, and (2) analysis of satellite measurements in conjunction with theoretical models. Contemporary one dimensional photochemical, radiative-convective model was used to assess the impact of perturbations such as solar flux variability, increases in atmospheric carbon dioxide, chlorofluoromethanes and other greenhouse gases. Data from satellite experiments such as LIMS and SBUV, were used along with theoretical models to develop a climatology of trace species in the stratosphere. The consistency of contemporary ozone photochemistry was examined in the light of LIMS data. Research work also includes analysis of stratospheric nitrogen dioxide distributions from different satellite experiments, investigation of the wintertime latitudinal gradients in NO2, estimation of the stratospheric odd nitrogen level and its variability, and studies related to the changes in ozone in the Antarctic, and mid latitude Southern Hemisphere.

  13. One-dimensional Photochemical Model Calculations of Mass-independent Fractionation of Oxygen Isotopes in the Atmosphere

    NASA Astrophysics Data System (ADS)

    Lyons, J.

    2002-12-01

    For oxygen-containing atmospheric molecules, anomalous fractionation in the three isotopes of oxygen derives primarily from reactions involving ozone or ozone photodissociation products. Recently, a simple box-model was presented which demonstrated the transfer of mass-independent fractionation (MIF) in ozone to other short-lived radical species (Lyons 2001). Depending on the details of the reaction pathways for a specific species, some portion of the MIF signature of ozone is transferred to that species, and is superimposed on the mass-dependent fractionations affecting that species. The box-model results included large anomalous fractionations in NO, NO2, and ClO, and in stratospheric OH and HO2. Here, I extend the box-model calculations to a 1-D photochemical model with vertical eddy transport. This allows longer-lived species such as CO, CO2 and HNO3 to be included. The 1-D model employed is a modification of a 1-D model from Jim Kasting (Penn. State Univ.) and extends from 0 to 64 km. Preliminary results from the 1-D model will be presented, and will include recent experimental results concerning the NO + O3 reaction mechanism (Savarino et al., pers. comm.). Several of these species, and the nitrogen oxides in particular, are key molecules in bigeochemical cycling.

  14. Quasi 1D Modeling of Mixed Compression Supersonic Inlets

    NASA Technical Reports Server (NTRS)

    Kopasakis, George; Connolly, Joseph W.; Paxson, Daniel E.; Woolwine, Kyle J.

    2012-01-01

    The AeroServoElasticity task under the NASA Supersonics Project is developing dynamic models of the propulsion system and the vehicle in order to conduct research for integrated vehicle dynamic performance. As part of this effort, a nonlinear quasi 1-dimensional model of the 2-dimensional bifurcated mixed compression supersonic inlet is being developed. The model utilizes computational fluid dynamics for both the supersonic and subsonic diffusers. The oblique shocks are modeled utilizing compressible flow equations. This model also implements variable geometry required to control the normal shock position. The model is flexible and can also be utilized to simulate other mixed compression supersonic inlet designs. The model was validated both in time and in the frequency domain against the legacy LArge Perturbation INlet code, which has been previously verified using test data. This legacy code written in FORTRAN is quite extensive and complex in terms of the amount of software and number of subroutines. Further, the legacy code is not suitable for closed loop feedback controls design, and the simulation environment is not amenable to systems integration. Therefore, a solution is to develop an innovative, more simplified, mixed compression inlet model with the same steady state and dynamic performance as the legacy code that also can be used for controls design. The new nonlinear dynamic model is implemented in MATLAB Simulink. This environment allows easier development of linear models for controls design for shock positioning. The new model is also well suited for integration with a propulsion system model to study inlet/propulsion system performance, and integration with an aero-servo-elastic system model to study integrated vehicle ride quality, vehicle stability, and efficiency.

  15. 1-D Radiative-Convective Model for Terrestrial Exoplanet Atmospheres

    NASA Astrophysics Data System (ADS)

    Leung, Cecilia W. S.; Robinson, Tyler D.

    2016-10-01

    We present a one dimensional radiative-convective model to study the thermal structure of terrestrial exoplanetary atmospheres. The radiative transfer and equilibrium chemistry in our model is based on similar methodologies in models used for studying Extrasolar Giant Planets (Fortney et al. 2005b.) We validated our model in the optically thin and thick limits, and compared our pressure-temperature profiles against the analytical solutions of Robinson & Catling (2012). For extrasolar terrestrial planets with pure hydrogen atmospheres, we evaluated the effects of H2-H2 collision induced absorption and identified the purely roto-translational band in our modeled spectra. We also examined how enhanced atmospheric metallicities affect the temperature structure, chemistry, and spectra of terrestrial exoplanets. For a terrestrial extrasolar planet whose atmospheric compostion is 100 times solar orbiting a sun-like star at 2 AU, our model resulted in a reducing atmosphere with H2O, CH4, and NH3 as the dominant greenhouse gases.

  16. Validation of 1-D transport and sawtooth models for ITER

    SciTech Connect

    Connor, J.W.; Turner, M.F.; Attenberger, S.E.; Houlberg, W.A.

    1996-12-31

    In this paper the authors describe progress on validating a number of local transport models by comparing their predictions with relevant experimental data from a range of tokamaks in the ITER profile database. This database, the testing procedure and results are discussed. In addition a model for sawtooth oscillations is used to investigate their effect in an ITER plasma with alpha-particles.

  17. APPLICATION OF BAYESIAN MONTE CARLO ANALYSIS TO A LAGRANGIAN PHOTOCHEMICAL AIR QUALITY MODEL. (R824792)

    EPA Science Inventory

    Uncertainties in ozone concentrations predicted with a Lagrangian photochemical air quality model have been estimated using Bayesian Monte Carlo (BMC) analysis. Bayesian Monte Carlo analysis provides a means of combining subjective "prior" uncertainty estimates developed ...

  18. Chemical kinetics and photochemical data for use in stratospheric modeling. Evaluation number 6

    NASA Technical Reports Server (NTRS)

    Demore, W. B.; Molina, M. J.; Watson, R. T.; Golden, D. M.; Hampson, R. F.; Kurylo, M. J.; Howard, C. J.; Ravishankara, A. R.

    1983-01-01

    Evaluated sets of rate constants and photochemical cross sections are presented. The primary application of the data is in the modeling of stratospheric processes, with particular emphasis on the ozone layer and its possible perturbation by anthropogenic and natural phenomena.

  19. Chemical kinetics and photochemical data for use in stratospheric modeling: Evaluation number 5

    NASA Technical Reports Server (NTRS)

    Demore, W. B.

    1982-01-01

    Sets of rate constants and photochemical cross sections compiled which were evaluated. The primary application of the data is in the modeling of stratospheric processes on the ozone layer and its possible perturbation by anthropogenic and natural phenomena are emphasized.

  20. Kinetic and Stochastic Models of 1D yeast ``prions"

    NASA Astrophysics Data System (ADS)

    Kunes, Kay

    2005-03-01

    Mammalian prion proteins (PrP) are of public health interest because of mad cow and chronic wasting diseases. Yeasts have proteins, which can undergo similar reconformation and aggregation processes to PrP; yeast ``prions" are simpler to experimentally study and model. Recent in vitro studies of the SUP35 protein (1), showed long aggregates and pure exponential growth of the misfolded form. To explain this data, we have extended a previous model of aggregation kinetics along with our own stochastic approach (2). Both models assume reconformation only upon aggregation, and include aggregate fissioning and an initial nucleation barrier. We find for sufficiently small nucleation rates or seeding by small dimer concentrations that we can achieve the requisite exponential growth and long aggregates.

  1. A 1D model of the arterial circulation in mice.

    PubMed

    Aslanidou, Lydia; Trachet, Bram; Reymond, Philippe; Fraga-Silva, Rodrigo A; Segers, Patrick; Stergiopulos, Nikolaos

    2016-01-01

    At a time of growing concern over the ethics of animal experimentation, mouse models are still an indispensable source of insight into the cardiovascular system and its most frequent pathologies. Nevertheless, reference data on the murine cardiovascular anatomy and physiology are lacking. In this work, we developed and validated an in silico, one dimensional model of the murine systemic arterial tree consisting of 85 arterial segments. Detailed aortic dimensions were obtained in vivo from contrast-enhanced micro-computed tomography in 3 male, C57BL/6J anesthetized mice and 3 male ApoE(-/-) mice, all 12-weeks old. Physiological input data were gathered from a wide range of literature data. The integrated form of the Navier-Stokes equations was solved numerically to yield pressures and flows throughout the arterial network. The resulting model predictions have been validated against invasive pressure waveforms and non-invasive velocity and diameter waveforms that were measured in vivo on an independent set of 47 mice. In conclusion, we present a validated one-dimensional model of the anesthetized murine cardiovascular system that can serve as a versatile tool in the field of preclinical cardiovascular research.

  2. Kinetic Model for 1D aggregation of yeast ``prions''

    NASA Astrophysics Data System (ADS)

    Kunes, Kay; Cox, Daniel; Singh, Rajiv

    2004-03-01

    Mammalian prion proteins (PrP) are of public health interest because of mad cow and chronic wasting diseases. Yeast have proteins which can undergo similar reconformation and aggregation processes to PrP; yeast forms are simpler to experimentally study and model. Recent in vitro studies of the SUP35 protein(1), showed long aggregates and pure exponential growth of the misfolded form. To explain this data, we have extended a previous model of aggregation kinetics(2). The model assumes reconformation only upon aggregation, and includes aggregate fissioning and an initial nucleation barrier. We find for sufficiently small nucleation rates or seeding by small dimer concentrations that we can achieve the requisite exponential growth and long aggregates. We will compare to a more realistic stochastic kinetics model and present prelimary attempts to describe recent experiments on SUP35 strains. *-Supported by U.S. Army Congressionally Mandated Research Fund. 1) P. Chien and J.S. Weissman, Nature 410, 223 (2001); http://online.kitp.ucsb.edu/online/bionet03/collins/. 2) J. Masel, V.A.> Jansen, M.A. Nowak, Biophys. Chem. 77, 139 (1999).

  3. Human CD1d knock-in mouse model demonstrates potent antitumor potential of human CD1d-restricted invariant natural killer T cells

    PubMed Central

    Wen, Xiangshu; Rao, Ping; Carreño, Leandro J.; Kim, Seil; Lawrenczyk, Agnieszka; Porcelli, Steven A.; Cresswell, Peter; Yuan, Weiming

    2013-01-01

    Despite a high degree of conservation, subtle but important differences exist between the CD1d antigen presentation pathways of humans and mice. These differences may account for the minimal success of natural killer T (NKT) cell-based antitumor therapies in human clinical trials, which contrast strongly with the powerful antitumor effects in conventional mouse models. To develop an accurate model for in vivo human CD1d (hCD1d) antigen presentation, we have generated a hCD1d knock-in (hCD1d-KI) mouse. In these mice, hCD1d is expressed in a native tissue distribution pattern and supports NKT cell development. Reduced numbers of invariant NKT (iNKT) cells were observed, but at an abundance comparable to that in most normal humans. These iNKT cells predominantly expressed mouse Vβ8, the homolog of human Vβ11, and phenotypically resembled human iNKT cells in their reduced expression of CD4. Importantly, iNKT cells in hCD1d knock-in mice exert a potent antitumor function in a melanoma challenge model. Our results show that replacement of mCD1d by hCD1d can select a population of functional iNKT cells closely resembling human iNKT cells. These hCD1d knock-in mice will allow more accurate in vivo modeling of human iNKT cell responses and will facilitate the preclinical assessment of iNKT cell-targeted antitumor therapies. PMID:23382238

  4. Potent neutralizing anti-CD1d antibody reduces lung cytokine release in primate asthma model.

    PubMed

    Nambiar, Jonathan; Clarke, Adam W; Shim, Doris; Mabon, David; Tian, Chen; Windloch, Karolina; Buhmann, Chris; Corazon, Beau; Lindgren, Matilda; Pollard, Matthew; Domagala, Teresa; Poulton, Lynn; Doyle, Anthony G

    2015-01-01

    CD1d is a receptor on antigen-presenting cells involved in triggering cell populations, particularly natural killer T (NKT) cells, to release high levels of cytokines. NKT cells are implicated in asthma pathology and blockade of the CD1d/NKT cell pathway may have therapeutic potential. We developed a potent anti-human CD1d antibody (NIB.2) that possesses high affinity for human and cynomolgus macaque CD1d (KD ∼100 pM) and strong neutralizing activity in human primary cell-based assays (IC50 typically <100 pM). By epitope mapping experiments, we showed that NIB.2 binds to CD1d in close proximity to the interface of CD1d and the Type 1 NKT cell receptor β-chain. Together with data showing that NIB.2 inhibited stimulation via CD1d loaded with different glycolipids, this supports a mechanism whereby NIB.2 inhibits NKT cell activation by inhibiting Type 1 NKT cell receptor β-chain interactions with CD1d, independent of the lipid antigen in the CD1d antigen-binding cleft. The strong in vitro potency of NIB.2 was reflected in vivo in an Ascaris suum cynomolgus macaque asthma model. Compared with vehicle control, NIB.2 treatment significantly reduced bronchoalveolar lavage (BAL) levels of Ascaris-induced cytokines IL-5, IL-8 and IL-1 receptor antagonist, and significantly reduced baseline levels of GM-CSF, IL-6, IL-15, IL-12/23p40, MIP-1α, MIP-1β, and VEGF. At a cellular population level NIB.2 also reduced numbers of BAL lymphocytes and macrophages, and blood eosinophils and basophils. We demonstrate that anti-CD1d antibody blockade of the CD1d/NKT pathway modulates inflammatory parameters in vivo in a primate inflammation model, with therapeutic potential for diseases where the local cytokine milieu is critical.

  5. Potent neutralizing anti-CD1d antibody reduces lung cytokine release in primate asthma model

    PubMed Central

    Nambiar, Jonathan; Clarke, Adam W; Shim, Doris; Mabon, David; Tian, Chen; Windloch, Karolina; Buhmann, Chris; Corazon, Beau; Lindgren, Matilda; Pollard, Matthew; Domagala, Teresa; Poulton, Lynn; Doyle, Anthony G

    2015-01-01

    CD1d is a receptor on antigen-presenting cells involved in triggering cell populations, particularly natural killer T (NKT) cells, to release high levels of cytokines. NKT cells are implicated in asthma pathology and blockade of the CD1d/NKT cell pathway may have therapeutic potential. We developed a potent anti-human CD1d antibody (NIB.2) that possesses high affinity for human and cynomolgus macaque CD1d (KD ∼100 pM) and strong neutralizing activity in human primary cell-based assays (IC50 typically <100 pM). By epitope mapping experiments, we showed that NIB.2 binds to CD1d in close proximity to the interface of CD1d and the Type 1 NKT cell receptor β-chain. Together with data showing that NIB.2 inhibited stimulation via CD1d loaded with different glycolipids, this supports a mechanism whereby NIB.2 inhibits NKT cell activation by inhibiting Type 1 NKT cell receptor β-chain interactions with CD1d, independent of the lipid antigen in the CD1d antigen-binding cleft. The strong in vitro potency of NIB.2 was reflected in vivo in an Ascaris suum cynomolgus macaque asthma model. Compared with vehicle control, NIB.2 treatment significantly reduced bronchoalveolar lavage (BAL) levels of Ascaris-induced cytokines IL-5, IL-8 and IL-1 receptor antagonist, and significantly reduced baseline levels of GM-CSF, IL-6, IL-15, IL-12/23p40, MIP-1α, MIP-1β, and VEGF. At a cellular population level NIB.2 also reduced numbers of BAL lymphocytes and macrophages, and blood eosinophils and basophils. We demonstrate that anti-CD1d antibody blockade of the CD1d/NKT pathway modulates inflammatory parameters in vivo in a primate inflammation model, with therapeutic potential for diseases where the local cytokine milieu is critical. PMID:25751125

  6. Kernel Density Reconstruction for Lagrangian Photochemical Modelling. Part 1: Model Formulation and Preliminary Tests

    SciTech Connect

    Monforti, F; Vitali, L; Bellasio, R; Bianconi, R

    2006-02-21

    In this paper a new approach to photochemical modeling is investigated and a lagrangian particle model named Photochemical Lagrangian Particle Model (PLPM) is described. Lagrangian particle models are a consolidated tool to deal with the dispersion of pollutants in the atmosphere. Good results have been obtained dealing with inert pollutants. In recent years, a number of pioneering works have shown as Lagrangian models can be of great interest when dealing with photochemistry, provided that special care is given in the reconstruction of chemicals concentration in the atmosphere. Density reconstruction can be performed through the so called ''box counting'' method: an Eulerian grid for chemistry is introduced and density is computed counting particles in each box. In this way one of the main advantages of the Lagrangian approach, the grid independence, is lost. Photochemical reactions are treated in PLPM by means of the complex chemical mechanism SAPRC90 and four density reconstruction methods have been developed, based on the kernel density estimator approach, in order to obtain grid-free accurate concentrations. These methods are all fully grid-free but they differ each other in considering local or global features of the particles distribution, in treating the Cartesian directions separately or together and in being based on receptors or particles positions in space.

  7. Utilization of UARS Data in Validation of Photochemical and Dynamical Mechanisms in Stratospheric Models

    NASA Technical Reports Server (NTRS)

    Ko, Malcolm K. W.; Rodriquez, Jose M.; Hu, Wenjie; Danilin, Michael Y.; Shia, Run-Li

    1998-01-01

    The proposed work utilized Upper Atmosphere Research Satellite (UARS) measurements of short-lived and long-lived species, in conjunction with existing photochemical "box" models, trajectory models, and two-dimensional global models, to elucidate outstanding questions in our understanding of photochemical and dynamical mechanisms in the stratosphere. Particular emphasis was given to arriving at the best possible understanding of the chemical and dynamical contribution to the stratospheric ozone budget. Such understanding will increase confidence in the simulations carried out by assessment models.

  8. Utilization of UARS Data in Validation of Photochemical and Dynamical Mechanisms in Stratospheric Models

    NASA Technical Reports Server (NTRS)

    Ko, M. K. W.; Rodriquez, J. M.; Hu, W.; Danilin, M. Y.; Shia, R.-L.

    1998-01-01

    The proposed work utilized Upper Atmosphere Research Satellite (UARS) measurements of short-lived and long-lived species, in conjunction with existing photochemical "box" models, trajectory models, and two-dimensional global models, to elucidate outstanding questions in our understanding of photochemical and dynamical mechanisms in the stratosphere. Particular emphasis was given to arriving at the best possible understanding of the chemical and dynamical contributions to the stratospheric ozone budget. Such understanding will increase confidence in the simulations carried out by assessment models.

  9. Results from the Intergovernmental Panel on Climatic Change Photochemical Model Intercomparison (PhotoComp)

    NASA Astrophysics Data System (ADS)

    Olson, Jennifer; Prather, Michael; Berntsen, Terje; Carmichael, Gregory; Chatfield, Robert; Connell, Peter; Derwent, Richard; Horowitz, Larry; Jin, Shengxin; Kanakidou, Maria; Kasibhatla, Prasad; Kotamarthi, Rao; Kuhn, Michael; Law, Kathy; Penner, Joyce; Perliski, Lori; Sillman, Sanford; Stordal, Frode; Thompson, Anne; Wild, Oliver

    1997-03-01

    few parts per billion by volume, O3 tendencies showed rms errors of ±10-30%. These model to model differences most likely stem from differences in the calculated rates of O3 photolysis to O(1D), which provides about 80% of the HOx source under these conditions. The introduction of hydrocarbons dramatically increased both the rate of NOx loss and its model to model differences, which, in turn, are reflected in an increased spread of predicted O3. Including NMHC in the simulation approximately doubled the rms error for O3 concentration.

  10. Benchmarks and models for 1-D radiation transport in stochastic participating media

    SciTech Connect

    Miller, D S

    2000-08-21

    Benchmark calculations for radiation transport coupled to a material temperature equation in a 1-D slab and 1-D spherical geometry binary random media are presented. The mixing statistics are taken to be homogeneous Markov statistics in the 1-D slab but only approximately Markov statistics in the 1-D sphere. The material chunk sizes are described by Poisson distribution functions. The material opacities are first taken to be constant and then allowed to vary as a strong function of material temperature. Benchmark values and variances for time evolution of the ensemble average of material temperature energy density and radiation transmission are computed via a Monte Carlo type method. These benchmarks are used as a basis for comparison with three other approximate methods of solution. One of these approximate methods is simple atomic mix. The second approximate model is an adaptation of what is commonly called the Levermore-Pomraning model and which is referred to here as the standard model. It is shown that recasting the temperature coupling as a type of effective scattering can be useful in formulating the third approximate model, an adaptation of a model due to Su and Pomraning which attempts to account for the effects of scattering in a stochastic context. This last adaptation shows consistent improvement over both the atomic mix and standard models when used in the 1-D slab geometry but shows limited improvement in the 1-D spherical geometry. Benchmark values are also computed for radiation transmission from the 1-D sphere without material heating present. This is to evaluate the performance of the standard model on this geometry--something which has never been done before. All of the various tests demonstrate the importance of stochastic structure on the solution. Also demonstrated are the range of usefulness and limitations of a simple atomic mix formulation.

  11. Assessing 1D Atmospheric Solar Radiative Transfer Models: Interpretation and Handling of Unresolved Clouds.

    NASA Astrophysics Data System (ADS)

    Barker, H. W.; Stephens, G. L.; Partain, P. T.; Bergman, J. W.; Bonnel, B.; Campana, K.; Clothiaux, E. E.; Clough, S.; Cusack, S.; Delamere, J.; Edwards, J.; Evans, K. F.; Fouquart, Y.; Freidenreich, S.; Galin, V.; Hou, Y.; Kato, S.; Li, J.;  Mlawer, E.;  Morcrette, J.-J.;  O'Hirok, W.;  Räisänen, P.;  Ramaswamy, V.;  Ritter, B.;  Rozanov, E.;  Schlesinger, M.;  Shibata, K.;  Sporyshev, P.;  Sun, Z.;  Wendisch, M.;  Wood, N.;  Yang, F.

    2003-08-01

    The primary purpose of this study is to assess the performance of 1D solar radiative transfer codes that are used currently both for research and in weather and climate models. Emphasis is on interpretation and handling of unresolved clouds. Answers are sought to the following questions: (i) How well do 1D solar codes interpret and handle columns of information pertaining to partly cloudy atmospheres? (ii) Regardless of the adequacy of their assumptions about unresolved clouds, do 1D solar codes perform as intended?One clear-sky and two plane-parallel, homogeneous (PPH) overcast cloud cases serve to elucidate 1D model differences due to varying treatments of gaseous transmittances, cloud optical properties, and basic radiative transfer. The remaining four cases involve 3D distributions of cloud water and water vapor as simulated by cloud-resolving models. Results for 25 1D codes, which included two line-by-line (LBL) models (clear and overcast only) and four 3D Monte Carlo (MC) photon transport algorithms, were submitted by 22 groups. Benchmark, domain-averaged irradiance profiles were computed by the MC codes. For the clear and overcast cases, all MC estimates of top-of-atmosphere albedo, atmospheric absorptance, and surface absorptance agree with one of the LBL codes to within ±2%. Most 1D codes underestimate atmospheric absorptance by typically 15-25 W m-2 at overhead sun for the standard tropical atmosphere regardless of clouds.Depending on assumptions about unresolved clouds, the 1D codes were partitioned into four genres: (i) horizontal variability, (ii) exact overlap of PPH clouds, (iii) maximum/random overlap of PPH clouds, and (iv) random overlap of PPH clouds. A single MC code was used to establish conditional benchmarks applicable to each genre, and all MC codes were used to establish the full 3D benchmarks. There is a tendency for 1D codes to cluster near their respective conditional benchmarks, though intragenre variances typically exceed those for

  12. Comparison of measured ozone in southeastern Virginia with computer predictions from a photochemical model

    NASA Technical Reports Server (NTRS)

    Wakelyn, N. T.; Gregory, G. L.

    1980-01-01

    Data for one day of the 1977 southeastern Virginia urban plume study are compared with computer predictions from a traveling air parcel model using a contemporary photochemical mechanism with a minimal description of nonmethane hydrocarbon (NMHC) constitution and chemistry. With measured initial NOx and O3 concentrations and a current separate estimate of urban source loading input to the model, and for a variation of initial NMHC over a reasonable range, an ozone increase over the day is predicted from the photochemical simulation which is consistent with the flight path averaged airborne data.

  13. A Framework for Evaluating Regional-Scale Numerical Photochemical Modeling Systems

    EPA Science Inventory

    This paper discusses the need for critically evaluating regional-scale (~ 200-2000 km) three dimensional numerical photochemical air quality modeling systems to establish a model's credibility in simulating the spatio-temporal features embedded in the observations. Because of li...

  14. A Coupled Ion-Neutral Photochemical Model for the Titan Atmosphere

    NASA Astrophysics Data System (ADS)

    Vuitton, Veronique; Yelle, Roger V.; Klippenstein, Stephen J.; Hörst, Sarah M.; Lavvas, Panayotis

    2014-11-01

    Recent observations from the Cassini-Huygens spacecraft and the Herschel space observatory drastically increased our knowledge of Titan's chemical composition. The combination of data retrieved by Cassini INMS, UVIS, and CIRS allows deriving the vertical profiles of half a dozen species from 1000 to 100 km, while the HIFI instrument on Herschel reported on the first identification of HNC. Partial data or upper limits are available for almost 20 other CHON neutral species. The INMS and CAPS instruments onboard Cassini also revealed the existence of numerous positive and negative ions in Titan's upper atmosphere. We present the results of a 1D coupled ion-neutral photochemical model intended for the interpretation of the distribution of gaseous species in the Titan atmosphere. The model extends from the surface to the exobase. The atmospheric background, boundary conditions, vertical transport and aerosol opacity are all constrained by the Cassini-Huygens observations. The chemical network includes reactions between hydrocarbons, nitrogen and oxygen bearing species (including some species containing both nitrogen and oxygen, such as NO). It takes into account neutrals and both positive and negative ions with m/z extending up to about 100 u. Ab initio Transition State Theory calculations are performed in order to evaluate the rate coefficients and products for critical reactions. The calculated vertical profiles of neutral and ion species generally agree with the existing observational data; some differences are highlighted. We discuss the chemical and physical processes responsible for the production and loss of some key species. We find that the production of neutral species in the upper atmosphere from electron-ion recombination reactions and neutral-neutral radiative association reactions is significant. In the stratosphere, the vertical profile of (cyano)polyynes is extremely sensitive to their heterogeneous loss on aerosols, a process that remains to be

  15. Comparison of a 2D Photochemical Model to Data Using Statistical Trend Analysis

    NASA Technical Reports Server (NTRS)

    Bhartia, P. K. (Technical Monitor); Stolarski, Richard; Jackman, Charles; Fleming, Eric; Frith, Stacey Hollandsworth

    2002-01-01

    We have analyzed our 23-year merged ozone data set for variability and trends with a statistical time-series model. To assist in that analysis, we have analyzed the Goddard 2D photochemical model for the same time period with the same time-series model. Multiple runs of the photochemical model allow us to separate the effects of various terms on ozone, such as solar cycle and volcanic eruptions. We use this to help us separate those signals from each other in the data. We also used a smoothed version of the photochemical model's prediction of global ozone change in place of a simple linear trend. We find a number of interesting results. This particular photochemical model is more sensitive to chlorine perturbations than the atmosphere appears to be. It is less sensitive to solar cycle. It predicts an effect from the Pinatubo eruption that is nearly symmetric in the two hemispheres, but the data appears to have not responded to Pinatubo in the southern mid-latitudes. These results and their uncertainties will be discussed.

  16. A Mathematical Model of T1D Acceleration and Delay by Viral Infection.

    PubMed

    Moore, James R; Adler, Fred

    2016-03-01

    Type 1 diabetes (T1D) is often triggered by a viral infection, but the T1D prevalence is rising among populations that have a lower exposure to viral infection. In an animal model of T1D, the NOD mouse, viral infection at different ages may either accelerate or delay disease depending on the age of infection and the type of virus. Viral infection may affect the progression of T1D via multiple mechanisms: triggering inflammation, bystander activation of self-reactive T-cells, inducing a competitive immune response, or inducing a regulatory immune response. In this paper, we create mathematical models of the interaction of viral infection with T1D progression, incorporating each of these four mechanisms. Our goal is to understand how each viral mechanism interacts with the age of infection. The model predicts that each viral mechanism has a unique pattern of interaction with disease progression. Viral inflammation always accelerates disease, but the effect decreases with age of infection. Bystander activation has little effect at younger ages and actually decreases incidence at later ages while accelerating disease in mice that do get the disease. A competitive immune response to infection can decrease incidence at young ages and increase it at older ages, with the effect decreasing over time. Finally, an induced Treg response decreases incidence at any age of infection, but the effect decreases with age. Some of these patterns resemble those seen experimentally. PMID:27030351

  17. Comparison of 1D and 2D modelling with soil erosion model SMODERP

    NASA Astrophysics Data System (ADS)

    Kavka, Petr; Weyskrabova, Lenka; Zajicek, Jan

    2013-04-01

    The contribution presents a comparison of a runoff simulated by profile method (1D) and spatially distributed method (2D). Simulation model SMODERP is used for calculation and prediction of soil erosion and surface runoff from agricultural land. SMODERP is physically based model that includes the processes of infiltration (Phillips equation), surface runoff (kinematic wave based equation), surface retention, surface roughness and vegetation impact on runoff. 1D model was developed in past, new 2D model was developed in last two years. The model is being developed at the Department of Irrigation, Drainage and Landscape Engineering, Civil Engineering Faculty, CTU in Prague. 2D model was developed as a tool for widespread GIS software ArcGIS. The physical relations were implemented through Python script. This script uses ArcGIS system tools for raster and vectors treatment of the inputs. Flow direction is calculated by Steepest Descent algorithm in the preliminary version of 2D model. More advanced multiple flow algorithm is planned in the next version. Spatially distributed models enable to estimate not only surface runoff but also flow in the rills. Surface runoff is described in the model by kinematic wave equation. Equation uses Manning roughness coefficient for surface runoff. Parameters for five different soil textures were calibrated on the set of forty measurements performed on the laboratory rainfall simulator. For modelling of the rills a specific sub model was created. This sub model uses Manning formula for flow estimation. Numerical stability of the model is solved by Courant criterion. Spatial scale is fixed. Time step is dynamically changed depending on how flow is generated and developed. SMODERP is meant to be used not only for the research purposes, but mainly for the engineering practice. We also present how the input data can be obtained based on available resources (soil maps and data, land use, terrain models, field research, etc.) and how can

  18. Diagnostic Evaluation of Ozone Production and Horizontal Transport in a Regional Photochemical Air Quality Modeling System

    EPA Science Inventory

    A diagnostic model evaluation effort has been performed to focus on photochemical ozone formation and the horizontal transport process since they strongly impact the temporal evolution and spatial distribution of ozone (O3) within the lower troposphere. Results from th...

  19. Chemical kinetics and photochemical data for use in stratospheric modeling: Evaluation number 11

    NASA Technical Reports Server (NTRS)

    Demore, W. B.; Sander, S. P.; Golden, D. M.; Hampson, R. F.; Kurylo, M. J.; Howard, C. J.; Ravishankara, A. R.; Kolb, C. E.; Molina, M. J.

    1994-01-01

    This is the eleventh in a series of evaluated sets of rate constants and photochemical cross sections compiled by the NASA Panel for Data Evaluation. The primary application of the data is in the modeling of stratospheric processes, with special emphasis on the ozone layer and its possible perturbation by anthropogenic and natural phenomena.

  20. Has the Performance of Regional-Scale Photochemical Modelling Systems Changed over the Past Decade?

    EPA Science Inventory

    This study analyzed summertime ozone concentrations that have been simulated by various regional-scale photochemical modelling systems over the Eastern U.S. as part of more than ten independent studies. Results indicate that there has been a reduction of root mean square errors ...

  1. Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling. Evaluation No. 12

    NASA Technical Reports Server (NTRS)

    DeMore, W. B.; Sander, S. P.; Golden, D. M.; Hampson, R. F.; Kurylo, M. J.; Howard, C. J.; Ravishankara, A. R.; Kolb, C. E.; Molina, M. J.

    1997-01-01

    This is the twelfth in a series of evaluated sets of rate constants and photochemical cross sections compiled by the NASA Panel for Data Evaluation. The primary application of the data is in the modeling of stratospheric processes, with special emphasis on the ozone layer and its possible perturbation by anthropogenic and natural phenomena.

  2. Quench dynamics of 1D spin-imbalanced Fermi-Hubbard model

    NASA Astrophysics Data System (ADS)

    Yin, Xiao; Radzihovsky, Leo

    We study a non-equilibrium dynamics of a 1D spin-imbalanced Fermi-Hubbard model following a quantum quench of on-site interaction, using bosonization and exact analysis. By focusing on the evolution of singlet-, triplet-, density and magnetization correlation functions, we find that the evolution and the final state display a strong dependence on the initial state. Thus, we demonstrate that such quantum quench may be used as a new approach to identify and probe the 1D gapless analogue of the elusive FFLO state. Supported by NSF through DMR-1001240 and by Simons Investigator award from Simons.

  3. Modeling of impurity spectroscopy in the divertor and SOL of DIII-D using the 1D multifluid model NEWT1D

    SciTech Connect

    West, W.P.; Evans, T.E.; Brooks, N.H.

    1996-10-01

    NEWT1D, a one dimensional multifluid model of the scrape-off layer and divertor plasma, has been used to model the plasma including the distribution of carbon ionization states in the SOL and divertor of ELMing H-mode at two injected power levels in DIII-D. Comparison of the code predictions to the measured divertor and scrape-off layer (SOL) plasma density and temperature shows good agreement. Comparison of the predicted line emissions to the spectroscopic data suggests that physically sputtered carbon from the strike point is not transported up the flux tube; a distributed source of carbon a few centimeters up the flux tube is required to achieve reasonable agreement.

  4. A 1D model for the description of mixing-controlled reacting diesel sprays

    SciTech Connect

    Desantesa, J.M.; Pastor, J.V.; Garcia-Oliver, J.M.; Pastor, J.M.

    2009-01-15

    The paper reports an investigation on the transient evolution of diesel flames in terms of fuel-air mixing, spray penetration and combustion rate. A one-dimensional (1D) spray model, which was previously validated for inert diesel sprays, is extended to reacting conditions. The main assumptions of the model are the mixing-controlled hypothesis and the validity of self-similarity for conservative properties. Validation is achieved by comparing model predictions with both CFD gas jet simulations and experimental diesel spray measurements. The 1D model provides valuable insight into the evolution of the flow within the spray (momentum and mass fluxes, tip penetration, etc.) when shifting from inert to reacting conditions. Results show that the transient diesel flame evolution is mainly governed by two combustion-induced effects, namely the reduction in local density and the increase in flame radial width. (author)

  5. Review of Zero-D and 1-D Models of Blood Flow in the Cardiovascular System

    PubMed Central

    2011-01-01

    Background Zero-dimensional (lumped parameter) and one dimensional models, based on simplified representations of the components of the cardiovascular system, can contribute strongly to our understanding of circulatory physiology. Zero-D models provide a concise way to evaluate the haemodynamic interactions among the cardiovascular organs, whilst one-D (distributed parameter) models add the facility to represent efficiently the effects of pulse wave transmission in the arterial network at greatly reduced computational expense compared to higher dimensional computational fluid dynamics studies. There is extensive literature on both types of models. Method and Results The purpose of this review article is to summarise published 0D and 1D models of the cardiovascular system, to explore their limitations and range of application, and to provide an indication of the physiological phenomena that can be included in these representations. The review on 0D models collects together in one place a description of the range of models that have been used to describe the various characteristics of cardiovascular response, together with the factors that influence it. Such models generally feature the major components of the system, such as the heart, the heart valves and the vasculature. The models are categorised in terms of the features of the system that they are able to represent, their complexity and range of application: representations of effects including pressure-dependent vessel properties, interaction between the heart chambers, neuro-regulation and auto-regulation are explored. The examination on 1D models covers various methods for the assembly, discretisation and solution of the governing equations, in conjunction with a report of the definition and treatment of boundary conditions. Increasingly, 0D and 1D models are used in multi-scale models, in which their primary role is to provide boundary conditions for sophisticate, and often patient-specific, 2D and 3D models

  6. Behavioral Responses in Animal Model of Congenital Muscular Dystrophy 1D.

    PubMed

    Comim, Clarissa M; Schactae, Aryadnne L; Soares, Jaime A; Ventura, Letícia; Freiberger, Viviane; Mina, Francielle; Dominguini, Diogo; Vainzof, Mariz; Quevedo, João

    2016-01-01

    Congenital muscular dystrophies 1D (CMD1D) present a mutation on the LARGE gene and are characterized by an abnormal glycosylation of α-dystroglycan (α-DG), strongly implicated as having a causative role in the development of central nervous system abnormalities such as cognitive impairment seen in patients. However, in the animal model of CMD1D, the brain involvement remains unclear. Therefore, the objective of this study is to evaluate the cognitive involvement in the Large(myd) mice. To this aim, we used adult homozygous, heterozygous, and wild-type mice. The mice underwent six behavioral tasks: habituation to an open field, step-down inhibitory avoidance, continuous multiple trials step-down inhibitory avoidance task, object recognition, elevated plus-maze, and forced swimming test. It was observed that Large(myd) individuals presented deficits on the habituation to the open field, step down inhibitory avoidance, continuous multiple-trials step-down inhibitory avoidance, object recognition, and forced swimming. This study shows the first evidence that abnormal glycosylation of α-DG may be affecting memory storage and restoring process in an animal model of CMD1D.

  7. Long-term trends of chemical and modelled photochemical parameters in four Alpine lakes.

    PubMed

    Minella, Marco; Leoni, Barbara; Salmaso, Nico; Savoye, Liliane; Sommaruga, Ruben; Vione, Davide

    2016-01-15

    Based on long-term trends of water chemistry parameters of photochemical significance from four lakes located in the Alps (Iseo, Garda, Piburgersee, Geneva), we calculated the corresponding steady-state concentrations of photoinduced transient species with an ad-hoc photochemical model. Such transients were the hydroxyl ((•)OH) and carbonate (CO3(-•)) radicals, singlet oxygen ((1)O2), and the triplet states of chromophoric dissolved organic matter ((3)CDOM*). Among the investigated lakes, Lake Iseo, for example, showed a long-term near-stability in chemical parameters that resulted in a photochemical stability. By contrast, Piburgersee underwent important chemical modifications, but the interplay of compensation (parallel increase of both inorganic and organic carbon) and near-saturation effects (organic matter as main (•)OH source and sink) prevented the modelled photochemistry to undergo significant shifts over time. This result suggests the occurrence of a sort of "photochemical buffering" in some lake ecosystems, which would dampen modifications of the steady-state concentration of the photochemically-formed reactive transients, even in the case of significant changes in water chemistry. Finally, in lakes Garda and Geneva, long-term changes in water chemistry had an effect on photochemistry. While in Lake Garda the small increase in DOM was associated to a small increase in (1)O2 and (3)CDOM*, in Lake Geneva, the increases in pH and bicarbonate and the decrease in nitrite resulted in an (•)OH decrease. Overall, our results predict very different lake photochemistry patterns in relation to alterations in water chemistry parameters caused by climate change, such as changes in water alkalinity and dissolved organic carbon concentration.

  8. Zero finite-temperature charge stiffness within the half-filled 1D Hubbard model

    SciTech Connect

    Carmelo, J.M.P.; Gu, Shi-Jian; Sacramento, P.D.

    2013-12-15

    Even though the one-dimensional (1D) Hubbard model is solvable by the Bethe ansatz, at half-filling its finite-temperature T>0 transport properties remain poorly understood. In this paper we combine that solution with symmetry to show that within that prominent T=0 1D insulator the charge stiffness D(T) vanishes for T>0 and finite values of the on-site repulsion U in the thermodynamic limit. This result is exact and clarifies a long-standing open problem. It rules out that at half-filling the model is an ideal conductor in the thermodynamic limit. Whether at finite T and U>0 it is an ideal insulator or a normal resistor remains an open question. That at half-filling the charge stiffness is finite at U=0 and vanishes for U>0 is found to result from a general transition from a conductor to an insulator or resistor occurring at U=U{sub c}=0 for all finite temperatures T>0. (At T=0 such a transition is the quantum metal to Mott–Hubbard-insulator transition.) The interplay of the η-spin SU(2) symmetry with the hidden U(1) symmetry beyond SO(4) is found to play a central role in the unusual finite-temperature charge transport properties of the 1D half-filled Hubbard model. -- Highlights: •The charge stiffness of the half-filled 1D Hubbard model is evaluated. •Its value is controlled by the model symmetry operator algebras. •We find that there is no charge ballistic transport at finite temperatures T>0. •The hidden U(1) symmetry controls the U=0 phase transition for T>0.

  9. Thermodynamic nature of vitrification in a 1D model of a structural glass former

    SciTech Connect

    Semenov, A. N.

    2015-07-28

    We propose a new spin-glass model with no positional quenched disorder which is regarded as a coarse-grained model of a structural glass-former. The model is analyzed in the 1D case when the number N of states of a primary cell is large. For N → ∞, the model exhibits a sharp freezing transition of the thermodynamic origin. It is shown both analytically and numerically that the glass transition is accompanied by a significant growth of a static length scale ξ pointing to the structural (equilibrium) nature of dynamical slowdown effects in supercooled liquids.

  10. Thermodynamic nature of vitrification in a 1D model of a structural glass former.

    PubMed

    Semenov, A N

    2015-07-28

    We propose a new spin-glass model with no positional quenched disorder which is regarded as a coarse-grained model of a structural glass-former. The model is analyzed in the 1D case when the number N of states of a primary cell is large. For N → ∞, the model exhibits a sharp freezing transition of the thermodynamic origin. It is shown both analytically and numerically that the glass transition is accompanied by a significant growth of a static length scale ξ pointing to the structural (equilibrium) nature of dynamical slowdown effects in supercooled liquids. PMID:26233148

  11. Assessment of improved root growth representation in a 1-D, field scale crop model

    NASA Astrophysics Data System (ADS)

    Miltin Mboh, Cho; Gaiser, Thomas; Ewert, Frank

    2015-04-01

    Many 1-D, field scale crop models over-simplify root growth. The over-simplification of this "hidden half" of the crop may have significant consequences on simulated root water and nutrient uptake with a corresponding reflection on the simulated crop yields. Poor representation of root growth in crop models may therefore constitute a major source of uncertainty propagation. In this study we assess the effect of an improved representation of root growth in a model solution of the model framework SIMPLACE (Scientific Impact assessment and Modeling PLatform for Advanced Crop and Ecosystem management) compared to conventional 1-D approaches. The LINTUL5 crop growth model is coupled to the Hillflow soil water balance model within the SIMPLACE modeling framework (Gaiser et al, 2013). Root water uptake scenarios in the soil hydrological simulator Hillflow (Bronstert, 1995) together with an improved representation of root growth is compared to scenarios for which root growth is simplified. The improvement of root growth is achieved by integrating root growth solutions from R-SWMS (Javaux et al., 2008) into the SIMPLACE model solution. R-SWMS is a three dimensional model for simultaneous modeling of root growth, soil water fluxes and solute transport and uptake. These scenarios are tested by comparing how well the simulated water contents match with the observed soil water dynamics. The impacts of the scenarios on above ground biomass and wheat grain are assessed

  12. A coupled ion-neutral photochemical model for the Titan atmosphere

    NASA Astrophysics Data System (ADS)

    Vuitton, V.; Yelle, R. V.; Klippenstein, S. J.; Horst, S. M.; Lavvas, P.

    2013-12-01

    Recent observations from the Cassini-Huygens spacecraft and the Herschel space observatory drastically increased our knowledge of Titan's chemical composition. The combination of data retrieved by Cassini INMS, UVIS, and CIRS allows deriving the vertical profiles of half a dozen species from 1000 to 100 km, while the HIFI instrument on Herschel reported on the first identification of HNC. Partial data or upper limits are available for almost 20 other CHON neutral species. The INMS and CAPS instruments onboard Cassini also revealed the existence of numerous positive and negative ions in Titan's upper atmosphere. We present the results of a 1D coupled ion-neutral photochemical model intended for the interpretation of the distribution of gaseous species in the Titan atmosphere. The model extends from the surface to the exobase. The atmospheric background, boundary conditions, vertical transport and aerosol opacity are all constrained by the Cassini-Huygens observations. The chemical network includes reactions between hydrocarbons, nitrogen and oxygen bearing species (including some species containing both nitrogen and oxygen, such as NO). It takes into account neutrals and both positive and negative ions with m/z extending up to about 100 u. Ab initio Transition State Theory calculations are performed in order to evaluate the rate coefficients and products for critical reactions. The production of minor nitrogen-bearing species and hydrocarbons is initiated by the dissociation and ionization of N2 and CH4 by solar VUV/EUV photons and associated photoelectrons in the upper atmosphere. We incorporate new high-resolution isotopic photoabsorption and photodissociation cross sections for N2 as well as new photodissociation branching ratios for CH4 and C2H2. The photodissociation of hydrocarbon radicals is taken into account and its impact on the chemistry is discussed for the first time. The presence of oxygen-bearing species is explained by an influx of oxygen originating

  13. PEM-West trajectory climatology and photochemical model sensitivity study prepared using retrospective meteorological data

    NASA Technical Reports Server (NTRS)

    Merrill, John T.; Rodriguez, Jose M.

    1991-01-01

    Trajectory and photochemical model calculations based on retrospective meteorological data for the operations areas of the NASA Pacific Exploratory Mission (PEM)-West mission are summarized. The trajectory climatology discussed here is intended to provide guidance for flight planning and initial data interpretation during the field phase of the expedition by indicating the most probable path air parcels are likely to take to reach various points in the area. The photochemical model calculations which are discussed indicate the sensitivity of the chemical environment to various initial chemical concentrations and to conditions along the trajectory. In the post-expedition analysis these calculations will be used to provide a climatological context for the meteorological conditions which are encountered in the field.

  14. Photochemical model of photodynamic therapy applied to skin diseases by a topical photosensitizer

    NASA Astrophysics Data System (ADS)

    Fanjul-Vélez, F.; Salas-García, I.; Fernández-Fernández, L. A.; López-Escobar, M.; Buelta-Carrillo, L.; Ortega-Quijano, N.; Arce-Diego, J. L.

    2009-07-01

    Photodynamic Therapy (PDT) provides a non-invasive, efficient and safe treatment for skin diseases with good cosmetic results. These characteristics make this technique more advantageous than radiotherapy or chemotherapy, which present limitations in a big number of lesions, are painful in many cases and produce non-satisfactory cosmetic results. We present the clinical results obtained at present by this optical technique and a photochemical model of the PDT process applied to the skin by means of a topical photosensitizer, in order to find the optimal PDT parameters. Optical propagation inside the tissue is calculated by means of the three dimensional Beer-Lambert law, due to its facility to be integrated in the differential equations system used to model the photochemical processes involved. With this information it is possible to obtain an initial estimation about the optimal drug dose and the optical power required.

  15. Effect of photochemical models on calculated equilibria and cooling rates in the stratosphere

    NASA Technical Reports Server (NTRS)

    Blake, D.; Lindzen, R. S.

    1973-01-01

    The determination of the relaxation time of a temperature perturbation in the stratosphere must take into account the effects of the absorption of solar energy by ozone, while the ozone density itself is dependent on temperature. A photochemical model, consisting of continuity equations for each of 29 constituents with reaction rates and adjustment times, is used to obtain the vertical distribution of ozone. The altitude range from 35 to 60 km in non-Arctic regions is shown to be in approximate joint radiative-photochemical equilibrium. The temperature and ozone distributions are thus well buffered. Modest changes in ozone and temperature were calculated on the basis of this model from large changes in cooling rates and reaction rates, and the results are shown to be more in line with actual observations. The importance of estimating the mixing ratios for NO and H2O is emphasized.

  16. Chemical kinetics and photochemical data for use in stratospheric modeling evaluation Number 8

    NASA Technical Reports Server (NTRS)

    Demore, W. B.; Molina, M. J.; Sander, S. P.; Golden, D. M.; Hampson, R. F.; Kurylo, M. J.; Howard, C. J.; Ravishankara, A. R.

    1987-01-01

    This is the eighth in a series of evaluated sets of rate constants and photochemical cross sections compiled by the NASA Panel for Data Evaluation. The primary application of the data is in the modeling of stratospheric processes, with particular emphasis on the ozone layer and its possible perturbation by anthropogenic and natural phenomena. Copies of this evaluation are available from the Jet Propulsion Laboratory, Documentation Section, 111-116B, California Institute of Technology, Pasadena, California, 91109.

  17. Nested 1D-2D approach for urban surface flood modeling

    NASA Astrophysics Data System (ADS)

    Murla, Damian; Willems, Patrick

    2015-04-01

    Floods in urban areas as a consequence of sewer capacity exceedance receive increased attention because of trends in urbanization (increased population density and impermeability of the surface) and climate change. Despite the strong recent developments in numerical modeling of water systems, urban surface flood modeling is still a major challenge. Whereas very advanced and accurate flood modeling systems are in place and operation by many river authorities in support of flood management along rivers, this is not yet the case in urban water management. Reasons include the small scale of the urban inundation processes, the need to have very high resolution topographical information available, and the huge computational demands. Urban drainage related inundation modeling requires a 1D full hydrodynamic model of the sewer network to be coupled with a 2D surface flood model. To reduce the computational times, 0D (flood cones), 1D/quasi-2D surface flood modeling approaches have been developed and applied in some case studies. In this research, a nested 1D/2D hydraulic model has been developed for an urban catchment at the city of Gent (Belgium), linking the underground sewer (minor system) with the overland surface (major system). For the overland surface flood modelling, comparison was made of 0D, 1D/quasi-2D and full 2D approaches. The approaches are advanced by considering nested 1D-2D approaches, including infiltration in the green city areas, and allowing the effects of surface storm water storage to be simulated. An optimal nested combination of three different mesh resolutions was identified; based on a compromise between precision and simulation time for further real-time flood forecasting, warning and control applications. Main streets as mesh zones together with buildings as void regions constitute one of these mesh resolution (3.75m2 - 15m2); they have been included since they channel most of the flood water from the manholes and they improve the accuracy of

  18. Testing a 1-D Analytical Salt Intrusion Model and the Predictive Equation in Malaysian Estuaries

    NASA Astrophysics Data System (ADS)

    Gisen, Jacqueline Isabella; Savenije, Hubert H. G.

    2013-04-01

    Little is known about the salt intrusion behaviour in Malaysian estuaries. Study on this topic sometimes requires large amounts of data especially if a 2-D or 3-D numerical models are used for analysis. In poor data environments, 1-D analytical models are more appropriate. For this reason, a fully analytical 1-D salt intrusion model, based on the theory of Savenije in 2005, was tested in three Malaysian estuaries (Bernam, Selangor and Muar) because it is simple and requires minimal data. In order to achieve that, site surveys were conducted in these estuaries during the dry season (June-August) at spring tide by moving boat technique. Data of cross-sections, water levels and salinity were collected, and then analysed with the salt intrusion model. This paper demonstrates a good fit between the simulated and observed salinity distribution for all three estuaries. Additionally, the calibrated Van der Burgh's coefficient K, Dispersion coefficient D0, and salt intrusion length L, for the estuaries also displayed a reasonable correlations with those calculated from the predictive equations. This indicates that not only is the salt intrusion model valid for the case studies in Malaysia but also the predictive model. Furthermore, the results from this study describe the current state of the estuaries with which the Malaysian water authority in Malaysia can make decisions on limiting water abstraction or dredging. Keywords: salt intrusion, Malaysian estuaries, discharge, predictive model, dispersion

  19. Optimisation of A 1d-ecosystem Model To Observations In The North Atlantic Ocean

    NASA Astrophysics Data System (ADS)

    Schartau, M.; Oschlies, A.

    An optimisation experiment is performed with a vertically resolved, nitrogen based ecosystem model, comprising four state variables (1D-NPZD model): dissolved inor- ganic nitrogen (N), phytoplankton (P), herbivorous zooplankton (Z) and detritus (D). Parameter values of the NPZD-model are optimised while regarding observational data from three locations in the North Atlantic simultaneously: Bermuda Atlantic Time-series Study (BATS), data of the North Atlantic Bloom Experiment (NABE) and observations from Ocean Weather Ship-India (OWS-INDIA). The simultaneous opti- misation yields a best parameter set which can be utilized for basin wide simulations in coupled physical-biological (general circulation) models of the North Atlantic. After optimisation of the 1D-NPZD model, systematic discrepancies between 14C-fixation rates and modelled primary production are emphasized. Using the optimal parame- ter estimates for coupled 3D-simulations, the biogeochemical fluxes show substantial differences in contrast to previous model results. For instance, rapid recycling of or- ganic matter enhances primary production rates. This becomes most evident within the oligotrophic regions of the subtropical gyre.

  20. Prediction of car cabin environment by means of 1D and 3D cabin model

    NASA Astrophysics Data System (ADS)

    Fišer, J.; Pokorný, J.; Jícha, M.

    2012-04-01

    Thermal comfort and also reduction of energy requirements of air-conditioning system in vehicle cabins are currently very intensively investigated and up-to-date issues. The article deals with two approaches of modelling of car cabin environment; the first model was created in simulation language Modelica (typical 1D approach without cabin geometry) and the second one was created in specialized software Theseus-FE (3D approach with cabin geometry). Performance and capabilities of this tools are demonstrated on the example of the car cabin and the results from simulations are compared with the results from the real car cabin climate chamber measurements.

  1. The effect of photochemical models on calculated equilibria and cooling rates in the stratosphere

    NASA Technical Reports Server (NTRS)

    Blake, D.; Lindzen, R. S.

    1973-01-01

    Simplified models were developed for radiative heating and cooling and for ozone photochemistry in the region 22-60 km. The latter permit the inclusion of nitrogen and hydrogen reactions in addition to simple oxygen reactions. The simplicity of the scheme facilitates the use of a wide variety of cooling and reaction rates. It is shown that joint radiative-photochemical equilibrium is appropriate to the mean state of the atmosphere between 35 and 60 km. The relaxation of perturbations from joint radiative-photochemical equilibrium was also investigated. In all cases the coupling between temperature dependent ozone photochemistry and radiation lead to a reduction of the thermal relaxation time from its purely radiative value. The latter, which amounts to about 10 days, is reduced to 2-4 days at heights of 31-35 km. This greatly enhances the dissipation of waves traveling through the stratosphere.

  2. Numerical Modeling of Imploding Plasma liners Using the 1D Radiation-Hydrodynamics Code HELIOS

    NASA Astrophysics Data System (ADS)

    Davis, J. S.; Hanna, D. S.; Awe, T. J.; Hsu, S. C.; Stanic, M.; Cassibry, J. T.; Macfarlane, J. J.

    2010-11-01

    The Plasma Liner Experiment (PLX) is attempting to form imploding plasma liners to reach 0.1 Mbar upon stagnation, via 30--60 spherically convergent plasma jets. PLX is partly motivated by the desire to develop a standoff driver for magneto-inertial fusion. The liner density, atomic makeup, and implosion velocity will help determine the maximum pressure that can be achieved. This work focuses on exploring the effects of atomic physics and radiation on the 1D liner implosion and stagnation dynamics. For this reason, we are using Prism Computational Science's 1D Lagrangian rad-hydro code HELIOS, which has both equation of state (EOS) table-lookup and detailed configuration accounting (DCA) atomic physics modeling. By comparing a series of PLX-relevant cases proceeding from ideal gas, to EOS tables, to DCA treatments, we aim to identify how and when atomic physics effects are important for determining the peak achievable stagnation pressures. In addition, we present verification test results as well as brief comparisons to results obtained with RAVEN (1D radiation-MHD) and SPHC (smoothed particle hydrodynamics).

  3. What causes the large extensions of red supergiant atmospheres?. Comparisons of interferometric observations with 1D hydrostatic, 3D convection, and 1D pulsating model atmospheres

    NASA Astrophysics Data System (ADS)

    Arroyo-Torres, B.; Wittkowski, M.; Chiavassa, A.; Scholz, M.; Freytag, B.; Marcaide, J. M.; Hauschildt, P. H.; Wood, P. R.; Abellan, F. J.

    2015-03-01

    Aims: This research has two main goals. First, we present the atmospheric structure and the fundamental parameters of three red supergiants (RSGs), increasing the sample of RSGs observed by near-infrared spectro-interferometry. Additionally, we test possible mechanisms that may explain the large observed atmospheric extensions of RSGs. Methods: We carried out spectro-interferometric observations of the RSGs V602 Car, HD 95687, and HD 183589 in the near-infrared K-band (1.92-2.47 μm) with the VLTI/AMBER instrument at medium spectral resolution (R ~ 1500). To categorize and comprehend the extended atmospheres, we compared our observational results to predictions by available hydrostatic PHOENIX, available 3D convection, and new 1D self-excited pulsation models of RSGs. Results: Our near-infrared flux spectra of V602 Car, HD 95687, and HD 183589 are well reproduced by the PHOENIX model atmospheres. The continuum visibility values are consistent with a limb-darkened disk as predicted by the PHOENIX models, allowing us to determine the angular diameter and the fundamental parameters of our sources. Nonetheless, in the case of V602 Car and HD 95686, the PHOENIX model visibilities do not predict the large observed extensions of molecular layers, most remarkably in the CO bands. Likewise, the 3D convection models and the 1D pulsation models with typical parameters of RSGs lead to compact atmospheric structures as well, which are similar to the structure of the hydrostatic PHOENIX models. They can also not explain the observed decreases in the visibilities and thus the large atmospheric molecular extensions. The full sample of our RSGs indicates increasing observed atmospheric extensions with increasing luminosity and decreasing surface gravity, and no correlation with effective temperature or variability amplitude. Conclusions: The location of our RSG sources in the Hertzsprung-Russell diagram is confirmed to be consistent with the red limits of recent evolutionary tracks

  4. Assessing the impact of different sources of topographic data on 1-D hydraulic modelling of floods

    NASA Astrophysics Data System (ADS)

    Ali, A. Md; Solomatine, D. P.; Di Baldassarre, G.

    2015-01-01

    Topographic data, such as digital elevation models (DEMs), are essential input in flood inundation modelling. DEMs can be derived from several sources either through remote sensing techniques (spaceborne or airborne imagery) or from traditional methods (ground survey). The Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER), the Shuttle Radar Topography Mission (SRTM), the light detection and ranging (lidar), and topographic contour maps are some of the most commonly used sources of data for DEMs. These DEMs are characterized by different precision and accuracy. On the one hand, the spatial resolution of low-cost DEMs from satellite imagery, such as ASTER and SRTM, is rather coarse (around 30 to 90 m). On the other hand, the lidar technique is able to produce high-resolution DEMs (at around 1 m), but at a much higher cost. Lastly, contour mapping based on ground survey is time consuming, particularly for higher scales, and may not be possible for some remote areas. The use of these different sources of DEM obviously affects the results of flood inundation models. This paper shows and compares a number of 1-D hydraulic models developed using HEC-RAS as model code and the aforementioned sources of DEM as geometric input. To test model selection, the outcomes of the 1-D models were also compared, in terms of flood water levels, to the results of 2-D models (LISFLOOD-FP). The study was carried out on a reach of the Johor River, in Malaysia. The effect of the different sources of DEMs (and different resolutions) was investigated by considering the performance of the hydraulic models in simulating flood water levels as well as inundation maps. The outcomes of our study show that the use of different DEMs has serious implications to the results of hydraulic models. The outcomes also indicate that the loss of model accuracy due to re-sampling the highest resolution DEM (i.e. lidar 1 m) to lower resolution is much less than the loss of model accuracy due

  5. 1D-3D hybrid modeling-from multi-compartment models to full resolution models in space and time.

    PubMed

    Grein, Stephan; Stepniewski, Martin; Reiter, Sebastian; Knodel, Markus M; Queisser, Gillian

    2014-01-01

    Investigation of cellular and network dynamics in the brain by means of modeling and simulation has evolved into a highly interdisciplinary field, that uses sophisticated modeling and simulation approaches to understand distinct areas of brain function. Depending on the underlying complexity, these models vary in their level of detail, in order to cope with the attached computational cost. Hence for large network simulations, single neurons are typically reduced to time-dependent signal processors, dismissing the spatial aspect of each cell. For single cell or networks with relatively small numbers of neurons, general purpose simulators allow for space and time-dependent simulations of electrical signal processing, based on the cable equation theory. An emerging field in Computational Neuroscience encompasses a new level of detail by incorporating the full three-dimensional morphology of cells and organelles into three-dimensional, space and time-dependent, simulations. While every approach has its advantages and limitations, such as computational cost, integrated and methods-spanning simulation approaches, depending on the network size could establish new ways to investigate the brain. In this paper we present a hybrid simulation approach, that makes use of reduced 1D-models using e.g., the NEURON simulator-which couples to fully resolved models for simulating cellular and sub-cellular dynamics, including the detailed three-dimensional morphology of neurons and organelles. In order to couple 1D- and 3D-simulations, we present a geometry-, membrane potential- and intracellular concentration mapping framework, with which graph- based morphologies, e.g., in the swc- or hoc-format, are mapped to full surface and volume representations of the neuron and computational data from 1D-simulations can be used as boundary conditions for full 3D simulations and vice versa. Thus, established models and data, based on general purpose 1D-simulators, can be directly coupled to the

  6. Simulations of Edge Effect in 1D Spin Crossover Compounds by Atom-Phonon Coupling Model

    NASA Astrophysics Data System (ADS)

    Linares, J.; Chiruta, D.; Jureschi, C. M.; Alayli, Y.; Turcu, C. O.; Dahoo, P. R.

    2016-08-01

    We used the atom-phonon coupling model to explain and illustrate the behaviour of a linear nano-chain of molecules. The analysis of the system's behaviour was performed using Free Energy method, and by applying Monte Carlo Metropolis (MCM) method which take into account the phonon contribution. In particular we tested both the MCM algorithm and the dynamic-matrix method and we expose how the thermal behaviour of a 1D spin crossover system varies as a function of different factors. Furthermore we blocked the edge atoms of the chain in its high spin state to study the effect on the system's behaviour.

  7. Model Sensitivity to Parameters in the Simple 1-D Land-Atmosphere Model

    NASA Astrophysics Data System (ADS)

    Liang, C.; Van Ogtrop, F.; Willem, V.

    2012-04-01

    Large scale effects are generally more important to the regional climate than local effects, such as land cover. However there is rarely any comparison of the two types of effects due to the complexity of the land-atmosphere system and the difficulties in controlling different climate drivers. Here we look into this matter from a model perspective. The modified simple 1-D land-atmosphere model based on D'Andrea (2006) and Baudena (2008) is used to investigate the relative sensitivity of climate variables (air temperature and precipitation) to the external forcing and local forcing. The model has two properties: firstly, it is an equilibrium model and secondly, it requires a small set of parameters. Therefore, this model is suitable for sensitivity analysis in which the effect of change in one factor can be isolated. In this study, we perform sensitivity analysis on the effects of four parameters. External forcing is represented by solar radiation (100 - 800 W m2) and moisture influx (0 - 1 mm hr-1) to the region. Local forcing is represented by the initial leaf area index (LAI, 0 - 10) and the initial soil wetness (0.13 - 0.63). A normalized index is used to access the sensitivity of the model outputs to the parameters. The index is defined as SI = dmax -dmin, Dmean ·r where dmax and dmin represent the local extremes; Dmean is the mean value for the whole domain and r is the proportion of the whole domain from which the local extremes are taken. Precipitation and air temperature output both responded nonlinearly to the tested parameters. Precipitation is resistant to changes when parameters are near to the lower end of value ranges until a threshold is hit. On the other hand, temperature is more sensitive to the low parameter values than the high parameter values. Hence, precipitation is suppressed and temperature remains high due to lack of vegetation cover, or low soil moisture, or negligible moisture influx from outside the region. Both precipitation and

  8. Optimal modeling of 1D azimuth correlations in the context of Bayesian inference

    NASA Astrophysics Data System (ADS)

    De Kock, Michiel B.; Eggers, Hans C.; Trainor, Thomas A.

    2015-09-01

    Analysis and interpretation of spectrum and correlation data from high-energy nuclear collisions is currently controversial because two opposing physics narratives derive contradictory implications from the same data, one narrative claiming collision dynamics is dominated by dijet production and projectile-nucleon fragmentation, the other claiming collision dynamics is dominated by a dense, flowing QCD medium. Opposing interpretations seem to be supported by alternative data models, and current model-comparison schemes are unable to distinguish between them. There is clearly need for a convincing new methodology to break the deadlock. In this study we introduce Bayesian inference (BI) methods applied to angular correlation data as a basis to evaluate competing data models. For simplicity the data considered are projections of two-dimensional (2D) angular correlations onto a 1D azimuth from three centrality classes of 200-GeV Au-Au collisions. We consider several data models typical of current model choices, including Fourier series (FS) and a Gaussian plus various combinations of individual cosine components. We evaluate model performance with BI methods and with power-spectrum analysis. We find that FS-only models are rejected in all cases by Bayesian analysis, which always prefers a Gaussian. A cylindrical quadrupole cos(2 ϕ ) is required in some cases but rejected for 0%-5%-central Au-Au collisions. Given a Gaussian centered at the azimuth origin, "higher harmonics" cos(m ϕ ) for m >2 are rejected. A model consisting of Gaussian +dipole cos(ϕ )+quadrupole cos(2 ϕ ) provides good 1D data descriptions in all cases.

  9. Mt Response of a 1d Earth Model Employing the Born Approximation with Variable Background Conductivities

    NASA Astrophysics Data System (ADS)

    Tejero, A.; Chavez, R. E.

    2001-12-01

    The Born approximation method has been commonly employed to study the electromagnetic field response. Other interpretative techniques have benn employed based upon the Born Approximation, like the extended Born approximation (EBA). This method employs the total field, instead of the primary field. Also, the Quasi Linear Approximation method (QLA) is an extension of EVA. In the present work, we propose an alternative technique, which employs the Born Approximation using variable background conductivities (BAVBC). The Green function is represented as a Born perturbation of zero order. Such that, the reference medium conductivity is a parameter selected according the working frequency. A similar procedure has been reported for stratified 1D-earth seismic models. This technique (BAVBC) has been applied to model computational models with reasonable results, as compared with available computational packages in the market. This method permits variations in the conductivity contrast of up to 80%, which provides solutions with 30% error, with respect of the analytical solution.

  10. Survey of Multi-Material Closure Models in 1D Lagrangian Hydrodynamics

    SciTech Connect

    Maeng, Jungyeoul Brad; Hyde, David Andrew Bulloch

    2015-07-28

    Accurately treating the coupled sub-cell thermodynamics of computational cells containing multiple materials is an inevitable problem in hydrodynamics simulations, whether due to initial configurations or evolutions of the materials and computational mesh. When solving the hydrodynamics equations within a multi-material cell, we make the assumption of a single velocity field for the entire computational domain, which necessitates the addition of a closure model to attempt to resolve the behavior of the multi-material cells’ constituents. In conjunction with a 1D Lagrangian hydrodynamics code, we present a variety of both the popular as well as more recently proposed multi-material closure models and survey their performances across a spectrum of examples. We consider standard verification tests as well as practical examples using combinations of fluid, solid, and composite constituents within multi-material mixtures. Our survey provides insights into the advantages and disadvantages of various multi-material closure models in different problem configurations.

  11. EFDC1D - A ONE DIMENSIONAL HYDRODYNAMIC AND SEDIMENT TRANSPORT MODEL FOR RIVER AND STREAM NETWORKS: MODEL THEORY AND USERS GUIDE

    EPA Science Inventory

    This technical report describes the new one-dimensional (1D) hydrodynamic and sediment transport model EFDC1D. This model that can be applied to stream networks. The model code and two sample data sets are included on the distribution CD. EFDC1D can simulate bi-directional unstea...

  12. Modeling stable isotope abundances in atmospheric nitrate using a photochemical box model

    NASA Astrophysics Data System (ADS)

    Mase, D. F.; Michalski, G. M.

    2012-12-01

    NOx is converted into HNO3 in the atmosphere through a complex series of chemical reactions and stable isotopes may be useful for understanding the relative importance of these reactions. Presented here are a series of relatively simple photochemical box model simulations of HNO3 production that utilize stable oxygen and nitrogen isotopes as a tool for understanding the specific chemistry of HNO3 production. These simulations are compared with observations in wet deposition NO3- at 8 National Atmospheric Deposition Program (NADP) sites in the Midwestern US and at several sites in the southwestern US. These comparisons help to address several unanswered questions, including which HNO3-production pathways are the most prevalent and how this prevalence varies in space and time. Additionally, these comparisons lend insights to the role of source and chemistry on nitrogen stable isotope abundances in atmospheric NO3-. The isotope chemical mechanisms can be incorporated into 2D and 3D chemical transport models such as the Community Scale Air Quality model to better understand the chemistry that generates air pollution.

  13. Evaluation of a Revised Interplanetary Shock Prediction Model: 1D CESE-HD-2 Solar-Wind Model

    NASA Astrophysics Data System (ADS)

    Zhang, Y.; Du, A. M.; Du, D.; Sun, W.

    2014-08-01

    We modified the one-dimensional conservation element and solution element (CESE) hydrodynamic (HD) model into a new version [ 1D CESE-HD-2], by considering the direction of the shock propagation. The real-time performance of the 1D CESE-HD-2 model during Solar Cycle 23 (February 1997 - December 2006) is investigated and compared with those of the Shock Time of Arrival Model ( STOA), the Interplanetary-Shock-Propagation Model ( ISPM), and the Hakamada-Akasofu-Fry version 2 ( HAFv.2). Of the total of 584 flare events, 173 occurred during the rising phase, 166 events during the maximum phase, and 245 events during the declining phase. The statistical results show that the success rates of the predictions by the 1D CESE-HD-2 model for the rising, maximum, declining, and composite periods are 64 %, 62 %, 57 %, and 61 %, respectively, with a hit window of ± 24 hours. The results demonstrate that the 1D CESE-HD-2 model shows the highest success rates when the background solar-wind speed is relatively fast. Thus, when the background solar-wind speed at the time of shock initiation is enhanced, the forecasts will provide potential values to the customers. A high value (27.08) of χ 2 and low p-value (< 0.0001) for the 1D CESE-HD-2 model give considerable confidence for real-time forecasts by using this new model. Furthermore, the effects of various shock characteristics (initial speed, shock duration, background solar wind, longitude, etc.) and background solar wind on the forecast are also investigated statistically.

  14. Fluid friction and wall viscosity of the 1D blood flow model.

    PubMed

    Wang, Xiao-Fei; Nishi, Shohei; Matsukawa, Mami; Ghigo, Arthur; Lagrée, Pierre-Yves; Fullana, Jose-Maria

    2016-02-29

    We study the behavior of the pulse waves of water into a flexible tube for application to blood flow simulations. In pulse waves both fluid friction and wall viscosity are damping factors, and difficult to evaluate separately. In this paper, the coefficients of fluid friction and wall viscosity are estimated by fitting a nonlinear 1D flow model to experimental data. In the experimental setup, a distensible tube is connected to a piston pump at one end and closed at another end. The pressure and wall displacements are measured simultaneously. A good agreement between model predictions and experiments was achieved. For amplitude decrease, the effect of wall viscosity on the pulse wave has been shown as important as that of fluid viscosity. PMID:26862041

  15. Fluid friction and wall viscosity of the 1D blood flow model.

    PubMed

    Wang, Xiao-Fei; Nishi, Shohei; Matsukawa, Mami; Ghigo, Arthur; Lagrée, Pierre-Yves; Fullana, Jose-Maria

    2016-02-29

    We study the behavior of the pulse waves of water into a flexible tube for application to blood flow simulations. In pulse waves both fluid friction and wall viscosity are damping factors, and difficult to evaluate separately. In this paper, the coefficients of fluid friction and wall viscosity are estimated by fitting a nonlinear 1D flow model to experimental data. In the experimental setup, a distensible tube is connected to a piston pump at one end and closed at another end. The pressure and wall displacements are measured simultaneously. A good agreement between model predictions and experiments was achieved. For amplitude decrease, the effect of wall viscosity on the pulse wave has been shown as important as that of fluid viscosity.

  16. Minimum 1-D P-wave velocity reference model for Northern Iran

    NASA Astrophysics Data System (ADS)

    Rezaeifar, Meysam; Diehl, Tobias; Kissling, Edi

    2016-04-01

    Uniform high-precision earthquake location is of importance in a seismically active area like northern Iran where the earthquake catalogue is a prerequisite for seismic hazard assessment and tectonic interpretation. We compile a complete and consistent local earthquake data set for the northern Iran region, using information from two independently operating seismological networks, Iran Seismological Center (IRSC) network, administered by the Geophysical Institute of Tehran University, and Iran Broadband network administered by International Institute of Engineering Earthquake and Seismology (IIEES). Special care is taken during the merging process to reduce the number of errors in the data, including station parameters, event pairing, phase identification, and to the assessment of quantitative observation uncertainties. The derived P-wave 1D-velocity model for Northern Iran may serve for consistent routine high-precision earthquake location and as initial reference model for 3D seismic tomography.

  17. A world-line framework for 1D topological conformal σ-models

    NASA Astrophysics Data System (ADS)

    Baulieu, L.; Holanda, N. L.; Toppan, F.

    2015-11-01

    We use world-line methods for pseudo-supersymmetry to construct sl(2|1)-invariant actions for the (2, 2, 0) chiral and (1, 2, 1) real supermultiplets of the twisted D-module representations of the sl(2|1) superalgebra. The derived one-dimensional topological conformal σ-models are invariant under nilpotent operators. The actions are constructed for both parabolic and hyperbolic/trigonometric realizations (with extra potential terms in the latter case). The scaling dimension λ of the supermultiplets defines a coupling constant, 2λ + 1, the free theories being recovered at λ = - /1 2 . We also present, generalizing previous works, the D-module representations of one-dimensional superconformal algebras induced by N = ( p , q ) pseudo-supersymmetry acting on (k, n, n - k) supermultiplets. Besides sl(2|1), we obtain the superalgebras A(1, 1), D(2, 1; α), D(3, 1), D(4, 1), A(2, 1) from (p, q) = (1, 1), (2, 2), (3, 3), (4, 4), (5, 1), at given k, n and critical values of λ.

  18. Kinetic analyses and mathematical modeling of primary photochemical and photoelectrochemical processes in plant photosystems.

    PubMed

    Vredenberg, Wim

    2011-02-01

    In this paper the model and simulation of primary photochemical and photo-electrochemical reactions in dark-adapted intact plant leaves is presented. A descriptive algorithm has been derived from analyses of variable chlorophyll a fluorescence and P700 oxidation kinetics upon excitation with multi-turnover pulses (MTFs) of variable intensity and duration. These analyses have led to definition and formulation of rate equations that describe the sequence of primary linear electron transfer (LET) steps in photosystem II (PSII) and of cyclic electron transport (CET) in PSI. The model considers heterogeneity in PSII reaction centers (RCs) associated with the S-states of the OEC and incorporates in a dark-adapted state the presence of a 15-35% fraction of Q(B)-nonreducing RCs that probably is identical with the S₀ fraction. The fluorescence induction algorithm (FIA) in the 10 μs-1s excitation time range considers a photochemical O-J-D, a photo-electrochemical J-I and an I-P phase reflecting the response of the variable fluorescence to the electric trans-thylakoid potential generated by the proton pump fuelled by CET in PSI. The photochemical phase incorporates the kinetics associated with the double reduction of the acceptor pair of pheophytin (Phe) and plastoquinone Q(A) [PheQ(A)] in Q(B) nonreducing RCs and the associated doubling of the variable fluorescence, in agreement with the three-state trapping model (TSTM) of PS II. The decline in fluorescence emission during the so called SMT in the 1-100s excitation time range, known as the Kautsky curve, is shown to be associated with a substantial decrease of CET-powered proton efflux from the stroma into the chloroplast lumen through the ATPsynthase of the photosynthetic machinery. PMID:21070830

  19. Kinetic analyses and mathematical modeling of primary photochemical and photoelectrochemical processes in plant photosystems.

    PubMed

    Vredenberg, Wim

    2011-02-01

    In this paper the model and simulation of primary photochemical and photo-electrochemical reactions in dark-adapted intact plant leaves is presented. A descriptive algorithm has been derived from analyses of variable chlorophyll a fluorescence and P700 oxidation kinetics upon excitation with multi-turnover pulses (MTFs) of variable intensity and duration. These analyses have led to definition and formulation of rate equations that describe the sequence of primary linear electron transfer (LET) steps in photosystem II (PSII) and of cyclic electron transport (CET) in PSI. The model considers heterogeneity in PSII reaction centers (RCs) associated with the S-states of the OEC and incorporates in a dark-adapted state the presence of a 15-35% fraction of Q(B)-nonreducing RCs that probably is identical with the S₀ fraction. The fluorescence induction algorithm (FIA) in the 10 μs-1s excitation time range considers a photochemical O-J-D, a photo-electrochemical J-I and an I-P phase reflecting the response of the variable fluorescence to the electric trans-thylakoid potential generated by the proton pump fuelled by CET in PSI. The photochemical phase incorporates the kinetics associated with the double reduction of the acceptor pair of pheophytin (Phe) and plastoquinone Q(A) [PheQ(A)] in Q(B) nonreducing RCs and the associated doubling of the variable fluorescence, in agreement with the three-state trapping model (TSTM) of PS II. The decline in fluorescence emission during the so called SMT in the 1-100s excitation time range, known as the Kautsky curve, is shown to be associated with a substantial decrease of CET-powered proton efflux from the stroma into the chloroplast lumen through the ATPsynthase of the photosynthetic machinery.

  20. Single source impacts estimated with photochemical model source sensitivity and apportionment approaches

    NASA Astrophysics Data System (ADS)

    Baker, Kirk R.; Kelly, James T.

    2014-10-01

    Some sources may need to estimate ozone and secondarily formed PM2.5 as part of the permit application process under the Clean Air Act New Source Review program. Photochemical grid models represent state-of-the-science gas- and particle-phase chemistry and provide a realistic chemical and physical environment for assessing changes in air quality resulting from changes in emissions. When using these tools for single source impact assessments, it is important to differentiate a single source impact from other emissions sources and to understand how well contemporary grid model applications capture near-source transport and chemistry. Here for the first time, both source apportionment and source sensitivity approaches (brute-force changes and high-order direct decoupled method) are used in a photochemical grid model to isolate impacts of a specific facility. These single source impacts are compared with in-plume measurements made as part of a well-characterized 1999 TVA Cumberland aircraft plume transect field study. The techniques were able to isolate the impacts of the TVA plume in a manner consistent with observations. The model predicted in-plume concentrations well when the observations were averaged to the grid scale, although peak concentrations of primary pollutants were generally underestimated near the source, possibly due to dilution in the 4-km grid cell.

  1. 1D numerical model of muddy subaqueous and subaerial debris flows

    USGS Publications Warehouse

    Imran, J.; Parker, G.; Locat, J.; Lee, H.

    2001-01-01

    A 1D numerical model of the downslope flow and deposition of muddy subaerial and subaqueous debris flows is presented. The model incorporates the Herschel-Bulkley and bilinear rheologies of viscoplastic fluid. The more familiar Bingham model is integrated into the Herschel-Bulkley rheological model. The conservation equations of mass and momentum of single-phase laminar debris flow are layer-integrated using the slender flow approximation. They are then expressed in a Lagrangian framework and solved numerically using an explicit finite difference scheme. Starting from a given initial shape, a debris flow is allowed to collapse and propagate over a specified topography. Comparison between the model predictions and laboratory experiments shows reasonable agreement. The model is used to study the effect of the ambient fluid density, initial shape of the failed mass, and rheological model on the simulated propagation of the front and runout characteristics of muddy debris flows. It is found that initial failure shape influence the front velocity but has little bearing on the final deposit shape. In the Bingham model, the excess of shear stress above the yield strength is proportional to the strain rate to the first power. This exponent is free to vary in the Herschel-Bulkley model. When it is set at a value lower than unity, the resulting final deposits are thicker and shorter than in the case of the Bingham rheology. The final deposit resulting from the bilinear model is longer and thinner than that from the Bingham model due to the fact that the debris flow is allowed to act as a Newtonian fluid at low shear rate in the bilinear model.

  2. Modeling perchloroethylene degradation under ultrasonic irradiation and photochemical oxidation in aqueous solution

    PubMed Central

    2012-01-01

    Sonolysis and photochemical degradation of different compounds such as chlorinated aliphatic hydrocarbons are among the recent advanced oxidation processes. Perchloroethylene is one of these compounds that has been mainly used as a solvent and degreaser. In this work, elimination of perchloroethylene in aqueous solution by ultrasonic irradiation, andphotochemical oxidation by ultra violet ray and hydrogen peroxide were investigated. Three different initial concentrations of perchloroethylene at different pH values, detention periods, and concentrations of hydrogen peroxide were investigated. Head space gas chromatography with FID detector was used for analyses of perchloroethylene. This research was performed in 9 months from April through December 2011. Results showed that perchloroethylene could be effectively and rapidly degraded by ultrasonic irradiation, photochemical oxidation by ultra violet ray, hydrogen peroxide and a combination of these methods. Kinetics of perchloroethylene was strongly influenced by time, initial concentration and pH value. Degradation of Perchloroethylene increased with decrease in the initial concentration of perchloroethylene from 0.3 to 10 mg/L at all initial pH. The results showed an optimum degradation condition achieved at pH = 5 but did not affect significantly the perchloroethylene destruction in the various pH values. Kinetic modeling applied for the obtained results showed that the degradation of perchloroethylene by ultrasound and photo-oxidation followed first order and second order model. The percentage of removal in the hybrids reactor was higher than each of the reactors alone, the reason being the role of hydroxyl radical induced by ultrasound and photochemical reaction. PMID:23369271

  3. Phenomenological 3D and 1D consistent models for shape-memory alloy materials

    NASA Astrophysics Data System (ADS)

    Evangelista, Veronica; Marfia, Sonia; Sacco, Elio

    2009-08-01

    The paper deals with the modeling and the development of a numerical procedure for the analysis of shape-memory alloy (SMA) elements in order to predict the main features of SMA devices. A 3D SMA model in the framework of small strain theory is developed starting from the thermo-mechanical model proposed by Souza et al. (Eur J Mech A/Solids 17:789-806, 1998) and modified by Auricchio and Petrini (Int J Numer Methods Eng 55:1255-1284, 2002). The aim of this paper is to propose some more modifications to the original model, to derive its consistent 1D formulation, to clarify the mechanical meaning of the material parameters governing the constitutive model. A robust time integration algorithm is developed in the framework of the finite element method and a new beam finite element is proposed. Some numerical applications and a comparison with experimental data available in literature are carried out in order to assess the ability of the proposed model to describe the SMA behavior.

  4. Comparison of parameterized nitric acid rainout rates using a coupled stochastic-photochemical tropospheric model

    NASA Technical Reports Server (NTRS)

    Stewart, Richard W.; Thompson, Anne M.; Owens, Melody A.; Herwehe, Jerold A.

    1989-01-01

    A major tropospheric loss of soluble species such as nitric acid results from scavenging by water droplets. Several theoretical formulations have been advanced which relate an effective time-independent loss rate for soluble species to statistical properties of precipitation such as the wet fraction and length of a precipitation cycle. In this paper, various 'effective' loss rates that have been proposed are compared with the results of detailed time-dependent model calculations carried out over a seasonal time scale. The model is a stochastic precipitation model coupled to a tropospheric photochemical model. The results of numerous time-dependent seasonal model runs are used to derive numerical values for the nitric acid residence time for several assumed sets of preciptation statistics. These values are then compared with the results obtained by utilizing theoretical 'effective' loss rates in time-independent models.

  5. 2D-photochemical modeling of Saturn’s stratosphere: hydrocarbon and water distributions

    NASA Astrophysics Data System (ADS)

    Hue, Vincent; Cavalié, Thibault; Hersant, Franck; Dobrijevic, Michel; Greathouse, Thomas; Lellouch, Emmanuel; Hartogh, Paul; Cassidy, Timothy; Spiga, Aymeric; Guerlet, Sandrine; Sylvestre, Melody

    2014-11-01

    Saturn’s axial tilt of 27° produces seasons in a similar way as on Earth. The seasonal forcing over Saturn’s 30 years period influences the production/loss of the major atmospheric absorbers and coolants through photochemistry, and influences therefore Saturn’s stratospheric temperatures. We have developed a 2D time-dependent photochemical model of Saturn’s atmosphere [Hue et al., in prep.], coupled to a radiative-climate model [Greathouse et al., 2008] to study seasonal effects on its atmospheric composition. Cassini spacecraft has revealed that the distribution of hydrocarbons in Saturn’s stratosphere [Guerlet et al., 2009] differs from pure photochemical predictions, i.e. without meridional transport [Moses et al., 2005]. Differences between the observed distribution of hydrocarbons and 2D-photochemical predictions are likely to be an indicator of dynamical forcing.Disentangling the origin of water in the stratosphere of this planet has been a long-term issue. Due to Saturn’s cold tropopause trap, which acts as a transport barrier, the water vapor observed by the Infrared Space Observatory (ISO) [Feuchtgruber et al., 1997] has an external origin. Three external sources have been identified: (i) permanent flux from interplanetary dust particles, (ii) local sources form planetary environments (rings, satellites), (iii) large cometary impacts, similar to Shoemaker-Levy 9 on Jupiter. Previous observations of Saturn with Herschel’s Hsso program [Hartogh et al., 2009] led to the detection of a water torus around Saturn [Hartogh et al., 2011], fed by Enceladus’ geysers. A substantial fraction of this torus is predicted to be a local source of water for Saturn’s and its satellites, as it will spread in this system [Cassidy et al., 2010]. Using the new 2D-photochemical model, we test here the validity of Enceladus’ torus as the source of Saturn’s stratospheric water.References : Hue et al., in prep. Greathouse et al., 2008. AGU Fall Meeting

  6. Metal-dielectric photonic crystal superlattice: 1D and 2D models and empty lattice approximation

    NASA Astrophysics Data System (ADS)

    Kichin, G.; Weiss, T.; Gao, H.; Henzie, J.; Odom, T. W.; Tikhodeev, S. G.; Giessen, H.

    2012-10-01

    Periodic nanostructures are one of the main building blocks in modern nanooptics. They are used for constructing photonic crystals and metamaterials and provide optical properties that can be changed by adjusting the geometrical parameters of the structures. In this paper the optical properties of a photonic crystal slab with a 2D superlattice are discussed. The structure consists of a gold layer with a finite periodic pattern of air holes that is itself repeated periodically with a larger superperiod. We propose simplified 1D and 2D models to understand the physical nature of Wood's anomalies in the optical spectra of the investigated structure. The latter are attributed to the Rayleigh anomalies, surface plasmon Bragg resonances and the hole-localized plasmons.

  7. Exploring triggers for polar tropospheric ODEs, using a 1-D snow photochemistry model (MISTRA-SNOW).

    NASA Astrophysics Data System (ADS)

    Buys, Z.; Jones, A. E.; von Glasow, R.

    2012-04-01

    Tropospheric Ozone Depletion Events (ODEs) have been known to occur in polar regions for over 20 years. During such events, ozone concentrations can fall from background amounts to below instrumental detection limits within a few minutes and remain suppressed for on the order of hours to days. The chemical destruction of ozone is driven by halogens (especially bromine radicals) that have a source associated with the sea ice zone. Although our knowledge of ODEs has increased greatly since their discovery, some of the key processes involved are not yet fully understood. We now know that heterogeneous reactions lead to the activation of Br2 and BrCI, via uptake of HOBr onto aqueous salt solutions /aerosol/ surface snowpack (Fickert et al., 1999), and it is widely accepted that bromine catalytic reaction cycles (the 'bromine explosion') in the gas phase are responsible for surface ozone destruction (Simpson et al., 2007). There is still much debate over the source of bromine in the atmosphere that drives ODEs, but there is strong evidence to suggest a source associated with the sea ice zone. A 1D Marine Boundary Layer (MBL) chemistry model (MISTRA; von Glasow et al., 2002) has been modified to be representative of Antarctic conditions. The chemistry module includes chemical reactions in the gas phase, in and on aerosol particles and takes into account transfer between the gas and aqueous phase. A new snow-photochemistry module has been developed which includes chemistry which takes place in the quasi-liquid layer on aerosol (Thomas et al., 2011), which is of great importance to our understanding of the chemistry which initiates a bromine explosion. Here we use this newly developed 1-D snow photochemistry model (MISTRA-SNOW) to look at some of the suggested triggers for, and the different meteorological conditions required to produce, tropospheric ODEs in polar regions.

  8. Application of HYDRUS 1D model for assessment of phenol-soil adsorption dynamics.

    PubMed

    Pal, Supriya; Mukherjee, Somnath; Ghosh, Sudipta

    2014-04-01

    Laboratory-scale batch, vertical, and horizontal column experiments were conducted to investigate the attenuative capacity of a fine-grained clayey soil of local origin in the surrounding of a steel plant wastewater discharge site in West Bengal, India, for removal of phenol. Linear, Langmuir, and Freundlich isotherm plots from batch experimental data revealed that Freundlich isotherm model was reasonably fitted (R (2) = 0.94). The breakthrough column experiments were also carried out with different soil bed heights (5, 10, and 15 cm) under uniform flow to study the hydraulic movements of phenol by evaluating time concentration flow behavior using bromide as a tracer. The horizontal migration test was also conducted in the laboratory using adsorptive phenol and nonreactive bromide tracer to explore the movement of solute in a horizontal distance. The hydrodynamic dispersion coefficients (D) in the vertical and horizontal directions in the soil were estimated using nonlinear least-square parameter optimization method in CXTFIT model. In addition, the equilibrium convection dispersion model in HYDRUS 1D was also examined to simulate the fate and transport of phenol in vertical and horizontal directions using Freundlich isotherm constants and estimated hydrodynamic parameters as input in the model. The model efficacy and validation were examined through statistical parameters such as the coefficient of determination (R (2)), root mean square error and design of index (d). PMID:24407784

  9. The three-dimensional photochemical model CHARM. Incorporation of solar activity

    NASA Astrophysics Data System (ADS)

    Krivolutsky, A. A.; V'yushkova, T. Yu.; Cherepanova, L. A.; Kukoleva, A. A.; Repnev, A. I.; Banin, M. V.

    2015-01-01

    We describe the numerical global photochemical model CHARM (CHemical Atmospheric Research Model) and the results of a numerical simulation of climatological distributions of ozone and other atmospheric trace gases in a height range of up to 90 km. We also present the results of numerical scenarios of an impact induced by a change in UV radiation fluxes in the solar activity cycle and conditioned by ozone depletion in polar regions by high-energy particles of cosmic origin. The spatial transport of chemically active species is described in the model (the Prather scheme) on the basis of global fields of wind components and temperature calculated by the ARM (Atmospheric Research Model) general circulation model.

  10. Action spectrum for photochemical retinal pigment epithelium (RPE) disruption in an in vivo monkey model

    NASA Astrophysics Data System (ADS)

    Zhang, Jie; Sabarinathan, Ranjani; Bubel, Tracy; Williams, David R.; Hunter, Jennifer J.

    2016-03-01

    Observations of RPE disruption and autofluorescence (AF) photobleaching at light levels below the ANSI photochemical maximum permissible exposure (MPE) (Morgan et al., 2008) indicates a demand to modify future light safety standards to protect the retina from harm. To establish safe light exposures, we measured the visible light action spectrum for RPE disruption in an in vivo monkey model with fluorescence adaptive optics retinal imaging. Using this high resolution imaging modality can provide insight into the consequences of light on a cellular level and allow for longitudinal monitoring of retinal changes. The threshold retinal radiant exposures (RRE) for RPE disruption were determined for 4 wavelengths (460, 488, 544, and 594 nm). The anaesthetized macaque retina was exposed to a uniform 0.5° × 0.5° field of view (FOV). Imaging within a 2° × 2° FOV was performed before, immediately after and at 2 week intervals for 10 weeks. At each wavelength, multiple RREs were tested with 4 repetitions each to determine the threshold for RPE disruption. For qualitative analysis, RPE disruption is defined as any detectable change from the pre exposure condition in the cell mosaic in the exposed region relative to the corresponding mosaic in the immediately surrounding area. We have tested several metrics to evaluate the RPE images obtained before and after exposure. The measured action spectrum for photochemical RPE disruption has a shallower slope than the current ANSI photochemical MPE for the same conditions and suggests that longer wavelength light is more hazardous than other measurements would suggest.

  11. Quantum Yields and Rate Constants of Photochemical and Nonphotochemical Excitation Quenching (Experiment and Model).

    PubMed Central

    Laisk, A.; Oja, V.; Rasulov, B.; Eichelmann, H.; Sumberg, A.

    1997-01-01

    Sunflower (Helianthus annuus L.), cotton (Gossypium hirsutum L.), tobacco (Nicotiana tabacum L.), sorghum (Sorghum bicolor Moench.), amaranth (Amaranthus cruentus L.), and cytochrome b6f complex-deficient transgenic tobacco leaves were used to test the response of plants exposed to differnt light intensities and CO2 concentrations before and after photoinhibition at 4000 [mu]mol photons m-2 s-1 and to thermoinhibition up to 45[deg]C. Quantum yields of photochemical and nonphotochemical excitation quenching (YP and YN) and the corresponding relative rate constants for excitation capture from the antenna-primary radical pair equilibrium system (k[prime]P and k[prime]N) were calculated from measured fluorescence parameters. The above treatments resulted in decreases in YP and K[prime]P and in approximately complementary increases in YN and K[prime]N under normal and inhibitory conditions. The results were reproduced by a mathematical model of electron/proton transport and O2 evolution/CO2 assimilation in photosynthesis based on budget equations for the intermediates of photosynthesis. Quantitative differences between model predictions and experiments are explainable, assuming that electron transport is organized into domains that contain relatively complete electron and proton transport chains (e.g. thylakoids). With the complementation that occurs between the photochemical and nonphotochemical excitation quenching, the regulatory system can constantly maintain the shortest lifetime of excitation necessary to avoid the formation of chlorophyll triplet states and singlet oxygen. PMID:12223845

  12. A 1-D evolutionary model for icy satellites, applied to Enceladus

    NASA Astrophysics Data System (ADS)

    Prialnik, Dina; Malamud, Uri

    2015-11-01

    A 1-D long-term evolution code for icy satellites is presented, which couples multiple processes: water migration, geochemical reactions, water and silicate phase transitions, crystallization, compaction by self-gravity, and ablation. The code takes into account various energy sources: tidal heating, radiogenic heating, geochemical energy released by serpentinization or absorbed by mineral dehydration, gravitational energy, and insolation. It includes heat transport by conduction, convection, and advection.The code is applied to Enceladus, by guessing the initial conditions that would render a structure compatible with present-day observations, and adopting a homogeneous initial structure. Assuming that the satellite has been losing water continually along its evolution, it follows that it was formed as a more massive, more ice-rich and more porous object, and gradually transformed into its present day state, due to sustained tidal heating. Several initial compositions and evolution scenarios are considered, and the evolution is simulated for the age of the Solar System. The results corresponding to the present configuration are confronted with the available observational constraints. The present configuration is shown to be differentiated into a pure icy mantle, several tens of km thick, overlying a rocky core, composed of dehydrated rock in the central part and hydrated rock in the outer part. Such a differentiated structure is obtained not only for Enceladus, but for other medium size ice-rich bodies as well.Predictions for Enceladus are a higher rock/ice mass ratio than previously assumed, and a thinner ice mantle, compatible with recent estimates based on gravity field measurements. Although, obviously, the 1-D model cannot be used to explain local phenomena, it sheds light on the internal structure invoked in explanations of localized features and activities.

  13. A simple framework for modelling the photochemical response to solar spectral irradiance variability in the stratosphere

    NASA Astrophysics Data System (ADS)

    Muncaster, R.; Bourqui, M. S.; Chabrillat, S.; Viscardy, S.; Melo, S. M. L.; Charbonneau, P.

    2012-08-01

    The stratosphere is thought to play a central role in the atmospheric response to solar irradiance variability. Recent observations suggest that the spectral solar irradiance (SSI) variability involves significant time-dependent spectral variations, with variable degrees of correlation between wavelengths, and new reconstructions are being developed. In this paper, we propose a simplified modelling framework to characterise the effect of short term SSI variability on stratospheric ozone. We focus on the pure photochemical effect, for it is the best constrained one. The photochemical effect is characterised using an ensemble simulation approach with multiple linear regression analysis. A photochemical column model is used with interactive photolysis for this purpose. Regression models and their coefficients provide a characterisation of the stratospheric ozone response to SSI variability and will allow future inter-comparisons between different SSI reconstructions. As a first step in this study, and to allow comparison with past studies, we take the representation of SSI variability from the Lean (1997) solar minimum and maximum spectra. First, solar maximum-minimum response is analysed for all chemical families and partitioning ratios, and is compared with past studies. The ozone response peaks at 0.18 ppmv (approximately 3%) at 37 km altitude. Second, ensemble simulations are regressed following two linear models. In the simplest case, an adjusted coefficient of determination R2 larger than 0.97 is found throughout the stratosphere using two predictors, namely the previous day's ozone perturbation and the current day's solar irradiance perturbation. A better accuracy (R2 larger than 0.9992) is achieved with an additional predictor, the previous day's solar irradiance perturbation. The regression models also provide simple parameterisations of the ozone

  14. 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

  15. Testing the accuracy of a 1-D volcanic plume model in estimating mass eruption rate

    USGS Publications Warehouse

    Mastin, Larry G.

    2014-01-01

    During volcanic eruptions, empirical relationships are used to estimate mass eruption rate from plume height. Although simple, such relationships can be inaccurate and can underestimate rates in windy conditions. One-dimensional plume models can incorporate atmospheric conditions and give potentially more accurate estimates. Here I present a 1-D model for plumes in crosswind and simulate 25 historical eruptions where plume height Hobs was well observed and mass eruption rate Mobs could be calculated from mapped deposit mass and observed duration. The simulations considered wind, temperature, and phase changes of water. Atmospheric conditions were obtained from the National Center for Atmospheric Research Reanalysis 2.5° model. Simulations calculate the minimum, maximum, and average values (Mmin, Mmax, and Mavg) that fit the plume height. Eruption rates were also estimated from the empirical formula Mempir = 140Hobs4.14 (Mempir is in kilogram per second, Hobs is in kilometer). For these eruptions, the standard error of the residual in log space is about 0.53 for Mavg and 0.50 for Mempir. Thus, for this data set, the model is slightly less accurate at predicting Mobs than the empirical curve. The inability of this model to improve eruption rate estimates may lie in the limited accuracy of even well-observed plume heights, inaccurate model formulation, or the fact that most eruptions examined were not highly influenced by wind. For the low, wind-blown plume of 14–18 April 2010 at Eyjafjallajökull, where an accurate plume height time series is available, modeled rates do agree better with Mobs than Mempir.

  16. Mathematical modeling of 1D binary photonic tuner and realization of temperature sensor

    NASA Astrophysics Data System (ADS)

    Lahiri, A.; Chakraborty, M.

    2011-10-01

    In recent years photonic crystals have become a favored area of research due to their diversified applications. In this paper we propose a mathematical model for analyzing the photonic band gap of a 1D binary photonic crystal (GaAs and air) which allows us to use it effectively as a photonic tuner which is an integral part of any optical amplifier. As optical parameters like reflection and refraction follows similar pattern from each plane within a photonic crystal, we can take help of characteristic matrix for a single plane and multiply (m) times where the crystal consists of (m) periods. Using the fact that the characteristic matrix comes out to be unimodular and taking help of Cayley-Hamilton theorem and Chebyshev polynomials, we expand the matrix of the entire system to derive the location and width of photonic band gaps. Higher stop bands occur at lower frequency of incoming radiation and central bandgap wavelength decreases with increasing angle of incidence. The power transmitted by the tuning crystal decreases for radiations away from normal. Using a polarizer model, the attenuation is computed to be proportional to log|Cos2θ|, where θ is the angle of incidence. The mathematical modeling developed can also be extended for realization of n-array photonic crystal. We have also considered the refractive index modulation with respect to temperature for using it as a temperature sensor.

  17. The optimization of high resolution topographic data for 1D hydrodynamic models

    NASA Astrophysics Data System (ADS)

    Ales, Ronovsky; Michal, Podhoranyi

    2016-06-01

    The main focus of our research presented in this paper is to optimize and use high resolution topographical data (HRTD) for hydrological modelling. Optimization of HRTD is done by generating adaptive mesh by measuring distance of coarse mesh and the surface of the dataset and adapting the mesh from the perspective of keeping the geometry as close to initial resolution as possible. Technique described in this paper enables computation of very accurate 1-D hydrodynamic models. In the paper, we use HEC-RAS software as a solver. For comparison, we have chosen the amount of generated cells/grid elements (in whole discretization domain and selected cross sections) with respect to preservation of the accuracy of the computational domain. Generation of the mesh for hydrodynamic modelling is strongly reliant on domain size and domain resolution. Topographical dataset used in this paper was created using LiDAR method and it captures 5.9km long section of a catchment of the river Olše. We studied crucial changes in topography for generated mesh. Assessment was done by commonly used statistical and visualization methods.

  18. A 1-D evolutionary model for icy satellites, applied to Enceladus

    NASA Astrophysics Data System (ADS)

    Malamud, Uri; Prialnik, Dina

    2016-04-01

    We develop a long-term 1-D evolution model for icy satellites that couples multiple processes: water migration and differentiation, geochemical reactions and silicate phase transitions, compaction by self-gravity, and ablation. The model further considers the following energy sources and sinks: tidal heating, radiogenic heating, geochemical energy released by serpentinization or absorbed by mineral dehydration, gravitational energy and insolation, and heat transport by conduction, convection, and advection. We apply the model to Enceladus, by guessing the initial conditions that would render a structure compatible with present-day observations, assuming the initial structure to have been homogeneous. Assuming the satellite has been losing water continually along its evolution, we postulate that it was formed as a more massive, more icy and more porous satellite, and gradually transformed into its present day state due to sustained long-term tidal heating. We consider several initial compositions and evolution scenarios and follow the evolution for the age of the Solar System, testing the present day model results against the available observational constraints. Our model shows the present configuration to be differentiated into a pure icy mantle, several tens of km thick, overlying a rocky core, composed of dehydrated rock at the center and hydrated rock in the outer part. For Enceladus, it predicts a higher rock/ice mass ratio than previously assumed and a thinner ice mantle, compatible with recent estimates based on gravity field measurements. Although, obviously, the model cannot be used to explain local phenomena, it sheds light on the internal structure invoked in explanations of localized features and activities.

  19. Establishing a conceptual model for photochemical ozone pollution in subtropical Hong Kong

    NASA Astrophysics Data System (ADS)

    Ling, Z. H.; Guo, H.; Zheng, J. Y.; Louie, P. K. K.; Cheng, H. R.; Jiang, F.; Cheung, K.; Wong, L. C.; Feng, X. Q.

    2013-09-01

    Photochemical ozone (O3) formation is related to its precursors and meteorological conditions. A conceptual model of O3 air pollution is developed based on the analysis of data obtained at Tung Chung (TC) in Hong Kong. By comparing meteorological parameters between O3 and non-O3 episode days, it was found that high temperatures, strong solar radiation, low wind speeds and relative humidity, northeasterly and/or northwesterly prevailing winds were favorable for the O3 formation, while tropical cyclones were most conducive to the occurrence of O3 episodes. Backward trajectories simulation and graphical illustration of O3 pollution suggested that super-regional (i.e. central and eastern China) and regional (i.e. Pearl River Delta, southern China) transport was another factor that contributed to high O3 levels in Hong Kong. The photochemical O3 formation, generally VOC-limited in Hong Kong, was controlled by a small number of volatile organic compounds (VOCs). Furthermore, the positive matrix factorization (PMF) simulation suggested that solvent usage and vehicular emissions are the major contributors to ambient VOCs in Hong Kong. Finally, this paper presents recommendations for further O3 research and implementation of O3 control strategies.

  20. Significance of flow clustering and sequencing on sediment transport: 1D sediment transport modelling

    NASA Astrophysics Data System (ADS)

    Hassan, Kazi; Allen, Deonie; Haynes, Heather

    2016-04-01

    This paper considers 1D hydraulic model data on the effect of high flow clusters and sequencing on sediment transport. Using observed flow gauge data from the River Caldew, England, a novel stochastic modelling approach was developed in order to create alternative 50 year flow sequences. Whilst the observed probability density of gauge data was preserved in all sequences, the order in which those flows occurred was varied using the output from a Hidden Markov Model (HMM) with generalised Pareto distribution (GP). In total, one hundred 50 year synthetic flow series were generated and used as the inflow boundary conditions for individual flow series model runs using the 1D sediment transport model HEC-RAS. The model routed graded sediment through the case study river reach to define the long-term morphological changes. Comparison of individual simulations provided a detailed understanding of the sensitivity of channel capacity to flow sequence. Specifically, each 50 year synthetic flow sequence was analysed using a 3-month, 6-month or 12-month rolling window approach and classified for clusters in peak discharge. As a cluster is described as a temporal grouping of flow events above a specified threshold, the threshold condition used herein is considered as a morphologically active channel forming discharge event. Thus, clusters were identified for peak discharges in excess of 10%, 20%, 50%, 100% and 150% of the 1 year Return Period (RP) event. The window of above-peak flows also required cluster definition and was tested for timeframes 1, 2, 10 and 30 days. Subsequently, clusters could be described in terms of the number of events, maximum peak flow discharge, cumulative flow discharge and skewness (i.e. a description of the flow sequence). The model output for each cluster was analysed for the cumulative flow volume and cumulative sediment transport (mass). This was then compared to the total sediment transport of a single flow event of equivalent flow volume

  1. 1D-3D hybrid modeling—from multi-compartment models to full resolution models in space and time

    PubMed Central

    Grein, Stephan; Stepniewski, Martin; Reiter, Sebastian; Knodel, Markus M.; Queisser, Gillian

    2014-01-01

    Investigation of cellular and network dynamics in the brain by means of modeling and simulation has evolved into a highly interdisciplinary field, that uses sophisticated modeling and simulation approaches to understand distinct areas of brain function. Depending on the underlying complexity, these models vary in their level of detail, in order to cope with the attached computational cost. Hence for large network simulations, single neurons are typically reduced to time-dependent signal processors, dismissing the spatial aspect of each cell. For single cell or networks with relatively small numbers of neurons, general purpose simulators allow for space and time-dependent simulations of electrical signal processing, based on the cable equation theory. An emerging field in Computational Neuroscience encompasses a new level of detail by incorporating the full three-dimensional morphology of cells and organelles into three-dimensional, space and time-dependent, simulations. While every approach has its advantages and limitations, such as computational cost, integrated and methods-spanning simulation approaches, depending on the network size could establish new ways to investigate the brain. In this paper we present a hybrid simulation approach, that makes use of reduced 1D-models using e.g., the NEURON simulator—which couples to fully resolved models for simulating cellular and sub-cellular dynamics, including the detailed three-dimensional morphology of neurons and organelles. In order to couple 1D- and 3D-simulations, we present a geometry-, membrane potential- and intracellular concentration mapping framework, with which graph- based morphologies, e.g., in the swc- or hoc-format, are mapped to full surface and volume representations of the neuron and computational data from 1D-simulations can be used as boundary conditions for full 3D simulations and vice versa. Thus, established models and data, based on general purpose 1D-simulators, can be directly coupled to

  2. A Zonal Climate Model for the 1-D Mars Evolution Code: Explaining Meridiani Planum.

    NASA Astrophysics Data System (ADS)

    Manning, C. V.; McKay, C. P.; Zahnle, K. J.

    2005-12-01

    Recent MER Opportunity observations suggest there existed an extensive body of shallow water in the present Meridiani Planum during the late Noachian [1]. Observations of roughly contemporaneous valley networks show little net erosion [2]. Hypsometric analysis [3] finds that martian drainage basins are similar to terrestrial drainage basins in very arid regions. The immaturity of martian drainage basins suggests they were formed by infrequent fluvial action. If similar fluvial discharges are responsible for the laminations in the salt-bearing outcrops of Meridiani Planum, their explanation may require a climate model based on surface thermal equilibrium with diurnally averaged temperatures greater than freezing. In the context of Mars' chaotic obliquity, invoking a moderately thick atmosphere with seasonal insolation patterns may uncover the conditions under which the outcrops formed. We compounded a 1-D model of the evolution of Mars' inventories of CO2 over its lifetime called the Mars Evolution Code (MEC) [4]. We are assembling a zonal climate model that includes meridional heat transport, heat conduction to/from the regolith, latent heat deposition, and an albedo distribution based on the depositional patterns of ices. Since water vapor is an important greenhouse gas, and whose ice affects the albedo, we must install a full hydrological cycle. This requires a thermal model of the regolith to model diffusion of water vapor to/from a permafrost layer. Our model carries obliquity and eccentricity distributions consistent with Laskar et al. [5], so we will be able to model the movement of the ice cap with changes in obliquity. The climate model will be used to investigate the conditions under which ponded water could have occurred in the late Noachian, thus supplying a constraint on the free inventory of CO2 at that time. Our evolution code can then investigate Hesperian and Amazonian climates. The model could also be used to understand evidence of recent climate

  3. 2D photochemical modeling of Saturn's stratosphere. Part II: Feedback between composition and temperature

    NASA Astrophysics Data System (ADS)

    Hue, V.; Greathouse, T. K.; Cavalié, T.; Dobrijevic, M.; Hersant, F.

    2016-03-01

    Saturn's axial tilt of 26.7° produces seasons in a similar way as on Earth. Both the stratospheric temperature and composition are affected by this latitudinally varying insolation along Saturn's orbital path. The atmospheric thermal structure is controlled and regulated by the amount of hydrocarbons in the stratosphere, which act as absorbers and coolants from the UV to the far-IR spectral range, and this structure has an influence on the amount of hydrocarbons. We study here the feedback between the chemical composition and the thermal structure by coupling a latitudinal and seasonal photochemical model with a radiative seasonal model. Our results show that the seasonal temperature peak in the higher stratosphere, associated with the seasonal increase of insolation, is shifted earlier than the maximum insolation peak. This shift is increased with increasing latitudes and is caused by the low amount of stratospheric coolants in the spring season. At 80° in both hemispheres, the temperature peak at 10-2 mbar is seen to occur half a season (3-4 Earth years) earlier than was previously predicted by radiative seasonal models that assumed spatially and temporally uniform distribution of coolants. This shift progressively decreases with increasing pressure, up to around the 0.5 mbar pressure level where it vanishes. On the opposite, the thermal field has a small feedback on the abundance distributions. Accounting for that feedback modifies the predicted equator-to-pole temperature gradient. The meridional gradients of temperature at the mbar pressure levels are better reproduced when this feedback is accounted for. At lower pressure levels, Saturn's stratospheric thermal structure seems to depart from pure radiative seasonal equilibrium as previously suggested by Guerlet et al. (2014). Although the agreement with the absolute value of the stratospheric temperature observed by Cassini is moderate, it is a mandatory step toward a fully coupled GCM-photochemical model.

  4. Modelling hydrology of a single bioretention system with HYDRUS-1D.

    PubMed

    Meng, Yingying; Wang, Huixiao; Chen, Jiangang; Zhang, Shuhan

    2014-01-01

    A study was carried out on the effectiveness of bioretention systems to abate stormwater using computer simulation. The hydrologic performance was simulated for two bioretention cells using HYDRUS-1D, and the simulation results were verified by field data of nearly four years. Using the validated model, the optimization of design parameters of rainfall return period, filter media depth and type, and surface area was discussed. And the annual hydrologic performance of bioretention systems was further analyzed under the optimized parameters. The study reveals that bioretention systems with underdrains and impervious boundaries do have some detention capability, while their total water retention capability is extremely limited. Better detention capability is noted for smaller rainfall events, deeper filter media, and design storms with a return period smaller than 2 years, and a cost-effective filter media depth is recommended in bioretention design. Better hydrologic effectiveness is achieved with a higher hydraulic conductivity and ratio of the bioretention surface area to the catchment area, and filter media whose conductivity is between the conductivity of loamy sand and sandy loam, and a surface area of 10% of the catchment area is recommended. In the long-term simulation, both infiltration volume and evapotranspiration are critical for the total rainfall treatment in bioretention systems.

  5. Spectral functions in the 1D and 2D Bose Hubbard model

    NASA Astrophysics Data System (ADS)

    Ivancic, Robert; Duchon, Eric; Trivedi, Nandini

    2014-03-01

    We use state of the art numerical techniques including quantum Monte Carlo and maximum entropy methods to obtain the low energy excitation spectra in the superfluid and Mott-insulator phases of the Bose Hubbard model. These results are checked in 1D against Bethe Ansatz and tDMRG results and extended to 2D where such approaches are impossible. In the superfluid, we find linearly dispersing Bogoliubov sound modes as well as additional gapped modes broadened by interaction effects. In the Mott insulator, we find evidence for a finite gap and well defined quasiparticle excitations. We examine properties such as the excitation lifetime, density of states, and speed of sound as the system is tuned across the quantum phase transition that separates the superfluid and Mott states. These results provide an important theoretical framework for upcoming ultracold atom experiments in one and two dimensions. We acknowledge support from the NSF DMR-0907275 (R.I., E.D. and N.T.).

  6. Modelling Hydrology of a Single Bioretention System with HYDRUS-1D

    PubMed Central

    Meng, Yingying; Wang, Huixiao; Chen, Jiangang; Zhang, Shuhan

    2014-01-01

    A study was carried out on the effectiveness of bioretention systems to abate stormwater using computer simulation. The hydrologic performance was simulated for two bioretention cells using HYDRUS-1D, and the simulation results were verified by field data of nearly four years. Using the validated model, the optimization of design parameters of rainfall return period, filter media depth and type, and surface area was discussed. And the annual hydrologic performance of bioretention systems was further analyzed under the optimized parameters. The study reveals that bioretention systems with underdrains and impervious boundaries do have some detention capability, while their total water retention capability is extremely limited. Better detention capability is noted for smaller rainfall events, deeper filter media, and design storms with a return period smaller than 2 years, and a cost-effective filter media depth is recommended in bioretention design. Better hydrologic effectiveness is achieved with a higher hydraulic conductivity and ratio of the bioretention surface area to the catchment area, and filter media whose conductivity is between the conductivity of loamy sand and sandy loam, and a surface area of 10% of the catchment area is recommended. In the long-term simulation, both infiltration volume and evapotranspiration are critical for the total rainfall treatment in bioretention systems. PMID:25133240

  7. Modelling hydrology of a single bioretention system with HYDRUS-1D.

    PubMed

    Meng, Yingying; Wang, Huixiao; Chen, Jiangang; Zhang, Shuhan

    2014-01-01

    A study was carried out on the effectiveness of bioretention systems to abate stormwater using computer simulation. The hydrologic performance was simulated for two bioretention cells using HYDRUS-1D, and the simulation results were verified by field data of nearly four years. Using the validated model, the optimization of design parameters of rainfall return period, filter media depth and type, and surface area was discussed. And the annual hydrologic performance of bioretention systems was further analyzed under the optimized parameters. The study reveals that bioretention systems with underdrains and impervious boundaries do have some detention capability, while their total water retention capability is extremely limited. Better detention capability is noted for smaller rainfall events, deeper filter media, and design storms with a return period smaller than 2 years, and a cost-effective filter media depth is recommended in bioretention design. Better hydrologic effectiveness is achieved with a higher hydraulic conductivity and ratio of the bioretention surface area to the catchment area, and filter media whose conductivity is between the conductivity of loamy sand and sandy loam, and a surface area of 10% of the catchment area is recommended. In the long-term simulation, both infiltration volume and evapotranspiration are critical for the total rainfall treatment in bioretention systems. PMID:25133240

  8. Investigating the Response of Greenland Outlet Glaciers to Perturbations Using a 1D Flowline Model

    NASA Astrophysics Data System (ADS)

    Petrakopoulos, K.; Stearns, L. A.; van der Veen, C. J.

    2015-12-01

    Over the past two decades, the behavior of many Greenland tidewater outlet glaciers has been characterized by dramatic acceleration, thinning, and retreat. In some cases this behavior is followed by re-advance, thickening and deceleration. The mechanisms that control glacier stability are not fully understood, and hinder ice sheet mass balance projections. Many studies suggest that accelerations are caused exclusively by processes at the terminus, namely by mechanisms that result in increases in iceberg calving rates. In this study we investigate whether comparable accelerations can initiate at different places along the glacier trunk due to changes in subglacial processes or shear margin evolution. We begin our experiments using a prognostic depth integrated (1-D) flowline model applied to Helheim Glacier, and investigate its flow response to perturbations at the terminus and up-flow. Our work shows that large-scale accelerations could have initiated up-flow far from the terminus. The results of this study will contribute to the long-lasting debate about the role of terminus dynamics, and thus ocean conditions, in modulating ice sheet mass balance.

  9. Self-assembling morphologies in a 1D model of two-inclusion-containing lipid membranes

    NASA Astrophysics Data System (ADS)

    Zhou, Ling; Cheng, Mingfei; Fang, Jinghuai; Peng, Ju

    2016-08-01

    The self-assembling morphologies in a 1D model of two-inclusion-containing lipid membranes are investigated by using self-consistent field theory. It is found that the shape and overall volume fraction of lipids, the hydrophobic strength and the distance of inclusions play important roles in the morphology of lipid membrane. The membrane consisting of cylindrical lipids with a symmetrical head and tail only forms the well-known normal morphology. However, for the membrane consisting of cone-like lipids with a relatively big head, the increase of the hydrophobic strength of inclusions can realize the membrane transition from the normal morphology to the pore morphologies. With increasing distance between two inclusions, two pores, three pores and four pores appear in turn. Conversely, the increase of the overall volume fraction of lipids can make the membrane undergo a reentrant transition from pore morphologies to normal morphologies. The results may be helpful in our understanding of the pore-forming mechanism.

  10. Open boundary conditions for the Diffuse Interface Model in 1-D

    NASA Astrophysics Data System (ADS)

    Desmarais, J. L.; Kuerten, J. G. M.

    2014-04-01

    New techniques are developed for solving multi-phase flows in unbounded domains using the Diffuse Interface Model in 1-D. They extend two open boundary conditions originally designed for the Navier-Stokes equations. The non-dimensional formulation of the DIM generalizes the approach to any fluid. The equations support a steady state whose analytical approximation close to the critical point depends only on temperature. This feature enables the use of detectors at the boundaries switching between conventional boundary conditions in bulk phases and a multi-phase strategy in interfacial regions. Moreover, the latter takes advantage of the steady state approximation to minimize the interface-boundary interactions. The techniques are applied to fluids experiencing a phase transition and where the interface between the phases travels through one of the boundaries. When the interface crossing the boundary is fully developed, the technique greatly improves results relative to cases where conventional boundary conditions can be used. Limitations appear when the interface crossing the boundary is not a stable equilibrium between the two phases: the terms responsible for creating the true balance between the phases perturb the interior solution. Both boundary conditions present good numerical stability properties: the error remains bounded when the initial conditions or the far field values are perturbed. For the PML, the influence of its main parameters on the global error is investigated to make a compromise between computational costs and maximum error. The approach can be extended to multiple spatial dimensions.

  11. Column Testing and 1D Reactive Transport Modeling to Evaluate Uranium Plume Persistence Processes

    NASA Astrophysics Data System (ADS)

    Johnson, R. H.; Morrison, S.; Morris, S.; Tigar, A.; Dam, W. L.; Dayvault, J.

    2015-12-01

    At many U.S. Department of Energy Office of Legacy Management sites, 100 year natural flushing was selected as a remedial option for groundwater uranium plumes. However, current data indicate that natural flushing is not occurring as quickly as expected and solid-phase and aqueous uranium concentrations are persistent. At the Grand Junction, Colorado office site, column testing was completed on core collected below an area where uranium mill tailings have been removed. The total uranium concentration in this core was 13.2 mg/kg and the column was flushed with laboratory-created water with no uranium and chemistry similar to the nearby Gunnison River. The core was flushed for a total of 91 pore volumes producing a maximum effluent uranium concentration of 6,110 μg/L at 2.1 pore volumes and a minimum uranium concentration of 36.2 μg/L at the final pore volume. These results indicate complex geochemical reactions at small pore volumes and a long tailing affect at greater pore volumes. Stop flow data indicate the occurrence of non-equilibrium processes that create uranium concentration rebound. These data confirm the potential for plume persistence, which is occurring at the field scale. 1D reactive transport modeling was completed using PHREEQC (geochemical model) and calibrated to the column test data manually and using PEST (inverse modeling calibration routine). Processes of sorption, dual porosity with diffusion, mineral dissolution, dispersion, and cation exchange were evaluated separately and in combination. The calibration results indicate that sorption and dual porosity are major processes in explaining the column test data. These processes are also supported by fission track photographs that show solid-phase uranium residing in less mobile pore spaces. These procedures provide valuable information on plume persistence and secondary source processes that may be used to better inform and evaluate remedial strategies, including natural flushing.

  12. 1-D/3-D geologic model of the Western Canada Sedimentary Basin

    USGS Publications Warehouse

    Higley, D.K.; Henry, M.; Roberts, L.N.R.; Steinshouer, D.W.

    2005-01-01

    The 3-D geologic model of the Western Canada Sedimentary Basin comprises 18 stacked intervals from the base of the Devonian Woodbend Group and age equivalent formations to ground surface; it includes an estimated thickness of eroded sediments based on 1-D burial history reconstructions for 33 wells across the study area. Each interval for the construction of the 3-D model was chosen on the basis of whether it is primarily composed of petroleum system elements of reservoir, hydrocarbon source, seal, overburden, or underburden strata, as well as the quality and areal distribution of well and other data. Preliminary results of the modeling support the following interpretations. Long-distance migration of hydrocarbons east of the Rocky Mountains is indicated by oil and gas accumulations in areas within which source rocks are thermally immature for oil and (or) gas. Petroleum systems in the basin are segmented by the northeast-trending Sweetgrass Arch; hydrocarbons west of the arch were from source rocks lying near or beneath the Rocky Mountains, whereas oil and gas east of the arch were sourced from the Williston Basin. Hydrocarbon generation and migration are primarily due to increased burial associated with the Laramide Orogeny. Hydrocarbon sources and migration were also influenced by the Lower Cretaceous sub-Mannville unconformity. In the Peace River Arch area of northern Alberta, Jurassic and older formations exhibit high-angle truncations against the unconformity. Potential Paleozoic though Mesozoic hydrocarbon source rocks are in contact with overlying Mannville Group reservoir facies. In contrast, in Saskatchewan and southern Alberta the contacts are parallel to sub-parallel, with the result that hydrocarbon source rocks are separated from the Mannville Group by seal-forming strata within the Jurassic. Vertical and lateral movement of hydrocarbons along the faults in the Rocky Mountains deformed belt probably also resulted in mixing of oil and gas from numerous

  13. 1D and 2D urban dam-break flood modelling in Istanbul, Turkey

    NASA Astrophysics Data System (ADS)

    Ozdemir, Hasan; Neal, Jeffrey; Bates, Paul; Döker, Fatih

    2014-05-01

    Urban flood events are increasing in frequency and severity as a consequence of several factors such as reduced infiltration capacities due to continued watershed development, increased construction in flood prone areas due to population growth, the possible amplification of rainfall intensity due to climate change, sea level rise which threatens coastal development, and poorly engineered flood control infrastructure (Gallegos et al., 2009). These factors will contribute to increased urban flood risk in the future, and as a result improved modelling of urban flooding according to different causative factor has been identified as a research priority (Gallegos et al., 2009; Ozdemir et al. 2013). The flooding disaster caused by dam failures is always a threat against lives and properties especially in urban environments. Therefore, the prediction of dynamics of dam-break flows plays a vital role in the forecast and evaluation of flooding disasters, and is of long-standing interest for researchers. Flooding occurred on the Ayamama River (Istanbul-Turkey) due to high intensity rainfall and dam-breaching of Ata Pond in 9th September 2009. The settlements, industrial areas and transportation system on the floodplain of the Ayamama River were inundated. Therefore, 32 people were dead and millions of Euros economic loses were occurred. The aim of this study is 1 and 2-Dimensional flood modelling of the Ata Pond breaching using HEC-RAS and LISFLOOD-Roe models and comparison of the model results using the real flood extent. The HEC-RAS model solves the full 1-D Saint Venant equations for unsteady open channel flow whereas LISFLOOD-Roe is the 2-D shallow water model which calculates the flow according to the complete Saint Venant formulation (Villanueva and Wright, 2006; Neal et al., 2011). The model consists a shock capturing Godunov-type scheme based on the Roe Riemann solver (Roe, 1981). 3 m high resolution Digital Surface Model (DSM), natural characteristics of the pond

  14. A photochemical modeling study of ozone and formaldehyde generation and budget in the Po basin

    NASA Astrophysics Data System (ADS)

    Liu, L.; Andreani-Aksoyoglu, S.; Keller, J.; OrdóñEz, C.; Junkermann, W.; Hak, C.; Braathen, G. O.; Reimann, S.; Astorga-Llorens, C.; Schultz, M.; PréVôT, A. S. H.; Isaksen, I. S. A.

    2007-11-01

    In this work, a photochemical dispersion model, CAMx (Comprehensive Air quality Model with eXtensions) was used to simulate a high ozone episode observed in the Po basin during the 2003 FORMAT (Formaldehyde as a Tracer of Oxidation in the Troposphere) campaign. The study focuses on formaldehyde and ozone, and a budget analysis was set up for interpreting the importance of different processes, namely emission, chemistry, transport and deposition, for three different areas (urban, downwind, suburban) around the Milan metropolitan region. In addition, a sensitivity study was carried out based on 11 different VOC emission scenarios. The results of the budget study show that the strongest O3 production rate (4 ppbv/hour) occurs in the downwind area of the city of Milan, and that accumulated O3 is transported back to Milan city during nighttime. More than 80% of the HCHO concentration over the Milan metropolitan region is secondary, i.e., photochemically produced from other VOCs. The sensitivity study shows that the emissions of isoprene are not, on average, a controlling factor for the peak concentrations of O3 and HCHO over the model domain because of very few oak trees in this region. Although the paraffinic (PAR) emissions are fairly large, a 20% reduction of PAR yields only 1.7% of HCHO reduction and 2.7% reduction of the O3 peak. The largest reduction of O3 levels can be obtained by reduced xylene (XYL) emissions. A 20% reduction of the total anthropogenic VOC emissions leads to 15.5% (20.3 ppbv) reduction of O3 peak levels over the Milan metropolitan region.

  15. Dynamical Models of SAURON and CALIFA Galaxies: 1D and 2D Rotational Curves

    NASA Astrophysics Data System (ADS)

    Kalinova, Veselina; van de Ven, G.; Lyubenova, M.; Falcon-Barroso, J.; van den Bosch, R.

    2013-01-01

    The mass of a galaxy is the most important parameter to understand its structure and evolution. The total mass we can infer by constructing dynamical models that fit the motion of the stars and gas in the galaxy. The dark matter content then follows after subtracting the luminous matter inferred from colors and/or spectra. Here, we present the mass distribution of a sample of 18 late-type spiral (Sb-Sd) galaxies, using two-dimensional stellar kinematics obtained with the integral-field spectrograph SAURON. The observed second order velocity moments of these galaxies are fitted with solutions of the Axisymmetric Jeans equations and give us an accurate estimation of the mass-to-light ratio profiles and rotational curves. The rotation curves of the galaxies are obtained by the Asymmetric Drift Correction (ADC) and Multi-Gaussian Expansion (MGE) methods, corresponding to one- and two-dimensional mass distribution. Their comparison shows that the mass distribution based on the 2D stellar kinematics is much more reliable than 1D one. SAURON integral field of view looks at the inner parts of the galaxies in contrast with CALIFA survey. CALIFA survey provides PMAS/PPAK integral-field spectroscopic data of ~ 600 nearby galaxies as part of the Calar Alto Legacy Integral Field Area. We show the first CALIFA dynamical models of different morphological type of galaxies, giving the clue about the mass distribution of galaxies through the whole Hubble sequence and their evolution from the blue cloud to the red sequence.

  16. Modeling of simulated photochemical smog with kinetic mechanisms. Volume 1. Final report, July 1978-September 1979

    SciTech Connect

    Whitten, G.Z.; Killus, J.P.; Hogo, H.

    1980-02-01

    Mechanisms that describe the formation of photochemical smog are developed using a computer modeling technique directed toward the simulation of data collected in two smog chambers: an indoor chamber and a dual outdoor chamber. The results of simulating 164 different experiments are presented in Vol. 1. Individual compounds for which specific experiments were simulated and mechanisms developed include the following: formaldehyde, acetaldehyde, ethylene, propylene, butane, and toluene. Experiments in both chambers were simulated for all these compounds. The mechanisms reported describe the decay of the precursor organic compound, formation and decay of secondary organic compounds, conversion of nitrogen oxides, formation of nitrates, and the appearance and decay of ozone. Special emphasis is given to the chemistry of toluene. Also included is a study of a generalized smog-based or carbon-bond mechanism developed in a previous study.

  17. Anti-TGF-β Antibody, 1D11, Ameliorates Glomerular Fibrosis in Mouse Models after the Onset of Proteinuria

    PubMed Central

    Liang, Xiaoyan; Schnaper, H. William; Matsusaka, Taiji; Pastan, Ira; Ledbetter, Steve; Hayashida, Tomoko

    2016-01-01

    Fibrosis is a final common pathway leading to loss of kidney function, in which the fibrogenic cytokine, transforming growth factor β (TGF-β), plays a central role. While previous studies showed that TGF-β antagonism by various means prevents fibrosis in mouse models, clinical approaches based on these findings remain elusive. 1D11 is a neutralizing antibody to all three isoforms of TGF-β. In both adriamycin (ADR)-induced nephropathy and NEP25 podocyte ablation nephropathy, thrice-weekly intraperitoneal administration of 1D11 from the day of disease induction until the mice were sacrificed (day 14 for ADR and day 28 for NEP25), significantly reduced glomerular COL1A2 mRNA accumulation and histological changes. Consistent with our previous findings, proteinuria remained overt in the mice treated with 1D11, suggesting distinct mechanisms for proteinuria and fibrogenesis. Podocyte numbers determined by WT1 staining were significantly reduced in NEP25-model glomeruli as expected, while WT1-positive cells were preserved in mice receiving 1D11. Even when 1D11 was administered after the onset of proteinuria on day 3, 1D11 preserved WT1-positive cell numbers in glomeruli and significantly reduced glomerular scar score (2.5 ± 0.2 [control IgG] vs. 1.8 ± 0.2 [1D11], P < 0.05) and glomerular COL1A2 mRNA expression (19.3 ± 4.4 [control IgG] vs. 8.4 ± 2.4 [1D11] fold increase over the healthy control, P < 0.05). Transmission electron microscopy revealed loss of podocytes and denuded glomerular basement membrane in NEP25 mice with disease, whereas podocytes remained attached to the basement membrane, though effaced and swollen, in those receiving 1D11 from day 3. Together, these data suggest that TGF-β neutralization by 1D11 prevents glomerular fibrosis even when started after the onset of proteinuria. While overt proteinuria and podocyte effacement persist, 1D11 prevents total podocytes detachment, which might be a key event activating fibrogenic events in glomeruli

  18. Atmospheric photochemical reactivity and ozone production at two sites in Hong Kong: Application of a Master Chemical Mechanism-photochemical box model

    NASA Astrophysics Data System (ADS)

    Ling, Z. H.; Guo, H.; Lam, S. H. M.; Saunders, S. M.; Wang, T.

    2014-09-01

    A photochemical box model incorporating the Master Chemical Mechanism (v3.2), constrained with a full suite of measurements, was developed to investigate the photochemical reactivity of volatile organic compounds at a semirural site (Mount Tai Mo Shan (TMS)) and an urban site (Tsuen Wan (TW)) in Hong Kong. The levels of ozone (O3) and its precursors, and the magnitudes of the reactivity of O3 precursors, revealed significant differences in the photochemistry at the two sites. Simulated peak hydroperoxyl radical (HO2) mixing ratios were similar at TW and TMS (p = 0.05), while the simulated hydroxyl radical (OH) mixing ratios were much higher at TW (p < 0.05), suggesting different cycling processes between OH and HO2 at the two sites. The higher OH at TW was due to high-NO mixing ratios, which shifted the HOx (OH + HO2) balance toward OH by the propagation of HO2 and alkyl peroxy radicals (RO2) with NO. HOx production was dominated by O3 photolysis at TMS, but at TW, both HCHO and O3 photolyses were found to be major contributors. By contrast, radical-radical reactions governed HOx radical losses at TMS, while at TW, the OH + NO2 reaction was found to dominate in the morning and the radical-radical reactions at noon. Overall, the conversion of NO to NO2 by HO2 dictated the O3 production at the two sites, while O3 destruction was dominated by the OH + NO2 reaction at TW, and at TMS, O3 photolysis and the O3 + HO2 reaction were the major mechanisms. The longer OH chain length at TMS indicated that more O3 was produced for each radical that was generated at this site.

  19. Methods for reducing biases and errors in regional photochemical model outputs for use in emission reduction and exposure assessments

    EPA Science Inventory

    In the United States, regional-scale photochemical models are being used to design emission control strategies needed to meet the relevant National Ambient Air Quality Standards (NAAQS) within the framework of the attainment demonstration process. Previous studies have shown that...

  20. UPDATED PHOTOCHEMICAL MODELING FOR CALIFORNIA'S SOUTH COAST AIR BASIN: COMPARISON OF CHEMICAL MECHANISMS AND MOTOR VEHICLE EMISSION INVENTORIES. (R824792)

    EPA Science Inventory

    Large uncertainties remain in photochemical models used
    to relate emissions of VOC and NOx to ambient
    O3
    concentrations. Bias in motor vehicle emission
    estimates
    for VOC has been a long-standing concern. An improved
    Eul...

  1. An influence of solar activity on latitudinal distribution of atmospheric ozone and temperature in 2-D radiative-photochemical model

    NASA Technical Reports Server (NTRS)

    Dyominov, I. G.

    1989-01-01

    On the basis of the 2-D radiative-photochemical model of the ozone layer at heights 0 to 60 km in the Northern Hemisphere there are revealed and analyzed in detail the characteristic features of the season-altitude-latitude variations of ozone and temperature due to changes of the solar flux during the 11 year cycle, electron and proton precipitations.

  2. Chemical kinetic and photochemical data for use in stratospheric modeling evaluation number 4: NASA panel for data evaluation

    NASA Technical Reports Server (NTRS)

    1981-01-01

    Evaluated sets of rate constants and photochemical cross sections compiled by the Panel are presented. The primary application of the data is in the modelling of stratospheric processes, with particular emphasis on the ozone layer and its possible perturbation by anthropogenic and natural phenomena.

  3. EVALUATING THE PERFORMANCE OF REGIONAL-SCALE PHOTOCHEMICAL MODELING SYSTEMS. PART III-PRECURSOR PREDICTIONS. (R825260)

    EPA Science Inventory

    Abstract

    Two regional-scale photochemical modeling systems, RAMS/UAM-V and MM5/MAQSIP, are used to simulate precursor concentrations for 4 June¯31 August 1995 period. The time series of simulated and observed precursor concentrations are spectrally deco...

  4. Diesel Engine performance improvement in a 1-D engine model using Particle Swarm Optimization

    NASA Astrophysics Data System (ADS)

    Karra, Prashanth

    2015-12-01

    A particle swarm optimization (PSO) technique was implemented to improve the engine development and optimization process to simultaneously reduce emissions and improve the fuel efficiency. The optimization was performed on a 4-stroke 4-cylinder GT-Power based 1-D diesel engine model. To achieve the multi-objective optimization, a merit function was defined which included the parameters to be optimized: Nitrogen Oxides (NOx), Nonmethyl hydro carbons (NMHC), Carbon Monoxide (CO), Brake Specific Fuel Consumption (BSFC). EPA Tier 3 emissions standards for non-road diesel engines between 37 and 75 kW of output were chosen as targets for the optimization. The combustion parameters analyzed in this study include: Start of main Injection, Start of Pilot Injection, Pilot fuel quantity, Swirl, and Tumble. The PSO was found to be very effective in quickly arriving at a solution that met the target criteria as defined in the merit function. The optimization took around 40-50 runs to find the most favourable engine operating condition under the constraints specified in the optimization. In a favourable case with a high merit function values, the NOx+NMHC and CO values were reduced to as low as 2.9 and 0.014 g/kWh, respectively. The operating conditions at this point were: 10 ATDC Main SOI, -25 ATDC Pilot SOI, 0.25 mg of pilot fuel, 0.45 Swirl and 0.85 tumble. These results indicate that late main injections preceded by a close, small pilot injection are most favourable conditions at the operating condition tested.

  5. Comparison of 1D and 2D CSR Models with Application to the FERMI@ELETTRA Bunch Compressors

    SciTech Connect

    Bassi, G.; Ellison, J.A.; Heinemann, K.

    2011-03-28

    We compare our 2D mean field (Vlasov-Maxwell) treatment of coherent synchrotron radiation (CSR) effects with 1D approximations of the CSR force which are commonly implemented in CSR codes. In our model we track particles in 4D phase space and calculate 2D forces [1]. The major cost in our calculation is the computation of the 2D force. To speed up the computation and improve 1D models we also investigate approximations to our exact 2D force. As an application, we present numerical results for the Fermi{at}Elettra first bunch compressor with the configuration described in [1].

  6. ABSTRACTION OF INFORMATION FROM 2- AND 3-DIMENSIONAL PORFLOW MODELS INTO A 1-D GOLDSIM MODEL - 11404

    SciTech Connect

    Taylor, G.; Hiergesell, R.

    2010-11-16

    The Savannah River National Laboratory has developed a 'hybrid' approach to Performance Assessment modeling which has been used for a number of Performance Assessments. This hybrid approach uses a multi-dimensional modeling platform (PorFlow) to develop deterministic flow fields and perform contaminant transport. The GoldSim modeling platform is used to develop the Sensitivity and Uncertainty analyses. Because these codes are performing complementary tasks, it is incumbent upon them that for the deterministic cases they produce very similar results. This paper discusses two very different waste forms, one with no engineered barriers and one with engineered barriers, each of which present different challenges to the abstraction of data. The hybrid approach to Performance Assessment modeling used at the SRNL uses a 2-D unsaturated zone (UZ) and a 3-D saturated zone (SZ) model in the PorFlow modeling platform. The UZ model consists of the waste zone and the unsaturated zoned between the waste zone and the water table. The SZ model consists of source cells beneath the waste form to the points of interest. Both models contain 'buffer' cells so that modeling domain boundaries do not adversely affect the calculation. The information pipeline between the two models is the contaminant flux. The domain contaminant flux, typically in units of moles (or Curies) per year from the UZ model is used as a boundary condition for the source cells in the SZ. The GoldSim modeling component of the hybrid approach is an integrated UZ-SZ model. The model is a 1-D representation of the SZ, typically 1-D in the UZ, but as discussed below, depending on the waste form being analyzed may contain pseudo-2-D elements. A waste form at the Savannah River Site (SRS) which has no engineered barriers is commonly referred to as a slit trench. A slit trench, as its name implies, is an unlined trench, typically 6 m deep, 6 m wide, and 200 m long. Low level waste consisting of soil, debris, rubble, wood

  7. A Comparison of a Photochemical Model with SHIMMER hydroxyl and SABER ozone data

    NASA Astrophysics Data System (ADS)

    Siskind, D. E.; Stevens, M. H.; Englert, C. R.; Marsh, D. R.

    2011-12-01

    Mesospheric ozone photochemistry is primarily dominated by a catalytic loss cycle involving odd hydrogen (HOx). In principal, this comparatively simple chemistry could be tested with simultaneous comparison of a model with ozone and odd hydrogen data. Until recently, such comparisons could not be made because such simultaneous data did not exist. However, with the recent conclusion of the successful 30 month mission of The Spatial Heterodyne Image for Mesospheric Radicals (SHIMMER) on a Space Test Program satellite (STPSat-1) , we now have the data with which to perform these studies. SHIMMER made high quality, high vertical resolution measurements measurements of hydroxyl (OH) from 60-80 km for a wide range of local times. The ozone data comes from measurements made by the Sounding of the Atmosphere with Broadband Emission Radiometry (SABER) on the NASA TIMED satellite. Since TIMED and STPSat observed the atmosphere simultaneously but at different local times, these OH and ozone data are studied using a diurnal photochemical model as a "transfer standard" that was sampled for lighting conditions appropriate to each experiment. We have used the eddy diffusion coefficient as a free parameter to be constrained by the model-data comparison. The results suggest very good general agreement with SHIMMER OH, except for a puzzling overestimate by the model of the data in the late afternoon at the highest altitudes. By contrast, the comparison with SABER ozone shows persistent large discrepancies whereby the model falls below the data; reasons for this will be offered.

  8. Modelling segregation effects of heterogeneous emissions on ozone levels in idealised urban street canyons: using photochemical box models.

    PubMed

    Zhong, Jian; Cai, Xiao-Ming; Bloss, William James

    2014-05-01

    Air quality models include representations of pollutant emissions, which necessarily entail spatial averaging to reflect the model grid size; such averaging may result in significant uncertainties and/or systematic biases in the model output. This study investigates such uncertainties, considering ozone concentrations in idealised street canyons within the urban canopy. A photochemical model with grid-averaged emissions of street canyons is compared with a multiple-box model considering each canyon independently. The results reveal that the averaged, 'one-box' model may significantly underestimate true (independent canyon mean) ozone concentrations for typical urban areas, and that the performance of the averaged model is improved for more 'green' and/or less trafficked areas. Our findings also suggest that the trends of 2005-2020 in emissions, in isolation, reduce the error inherent in the averaged-emissions treatment. These new findings may be used to evaluate uncertainties in modelled urban ozone concentrations when grid-averaged emissions are adopted.

  9. Comparison of the 1D flux theory with a 2D hydrodynamic secondary settling tank model.

    PubMed

    Ekama, G A; Marais, P

    2004-01-01

    The applicability of the 1D idealized flux theory (1DFT) for design of secondary settling tanks (SSTs) is evaluated by comparing its predicted maximum surface overflow (SOR) and solids loading (SLR) rates with that calculated from the 2D hydrodynamic model SettlerCAD using as a basis 35 full scale SST stress tests conducted on different SSTs with diameters from 30 to 45m and 2.25 to 4.1 m side water depth, with and without Stamford baffles. From the simulations, a relatively consistent pattern appeared, i.e. that the 1DFT can be used for design but its predicted maximum SLR needs to be reduced by an appropriate flux rating, the magnitude of which depends mainly on SST depth and hydraulic loading rate (HLR). Simulations of the sloping bottom shallow (1.5-2.5 m SWD) Dutch SSTs tested by STOWa and the Watts et al. SST, all with doubled SWDs, and the Darvill new (4.1 m) and old (2.5 m) SSTs with interchanged depths, were run to confirm the sensitivity of the flux rating to depth and HLR. Simulations with and without a Stamford baffle were also done. While the design of the internal features of the SST, such as baffling, have a marked influence on the effluent SS concentration for underloaded SSTs, these features appeared to have only a small influence on the flux rating, i.e. capacity, of the SST, In the meantime until more information is obtained, it would appear that from the simulations so far that the flux rating of 0.80 of the 1DFT maximum SLR recommended by Ekama and Marais remains a reasonable value to apply in the design of full scale SSTs--for deep SSTs (4 m SWD) the flux rating could be increased to 0.85 and for shallow SSTs (2.5 m SWD) decreased to 0.75. It is recommended that (i) while the apparent interrelationship between SST flux rating and depth suggests some optimization of the volume of the SST, that this be avoided and that (ii) the depth of the SST be designed independently of the surface area as is usually the practice and once selected, the

  10. 1D Runoff-runon stochastic model in the light of queueing theory : heterogeneity and connectivity

    NASA Astrophysics Data System (ADS)

    Harel, M.-A.; Mouche, E.; Ledoux, E.

    2012-04-01

    Runoff production on a hillslope during a rainfall event may be simplified as follows. Given a soil of constant infiltrability I, which is the maximum amount of water that the soil can infiltrate, and a constant rainfall intensity R, runoff is observed where R is greater than I. The infiltration rate equals the infiltrability when runoff is produced, R otherwise. When ponding time, topography, and overall spatial and temporal variations of physical parameters, such as R and I, are neglected, the runoff equation remains simple. In this study, we consider soils of spatially variable infiltrability. As runoff can re-infiltrate on down-slope areas of higher infiltrabilities (runon), the resulting process is highly non-linear. The stationary runoff equation is: Qn+1 = max(Qn + (R - In)*Δx , 0) where Qn is the runoff arriving on pixel n of size Δx [L2/T], R and In the rainfall intensity and infiltrability on that same pixel [L/T]. The non-linearity is due to the dependence of infiltration on R and Qn, that is runon. This re-infiltration process generates patterns of runoff along the slope, patterns that organise and connect to each other differently depending on the rainfall intensity and the nature of the soil heterogeneity. The runoff connectivity, assessed using the connectivity function of Allard (1993), affects greatly the dynamics of the runoff hillslope. Our aim is to assess, in a stochastic framework, the runoff organization on 1D slopes with random infiltrabilities (log-normal, exponential, bimodal and uniform distributions) by means of theoretical developments and numerical simulations. This means linking the nature of soil heterogeneity with the resulting runoff organisation. In term of connectivity, we investigate the relations between structural (infiltrability) and functional (runoff) connectivity. A theoretical framework based on the queueing theory is developed. We implement the idea of Jones et al. (2009), who remarked that the above formulation is

  11. The abundance, vertical distribution and origin of H2O in Titan’s atmosphere: Herschel observations and photochemical modelling

    NASA Astrophysics Data System (ADS)

    Moreno, Raphael; Lellouch, Emmanuel; Lara, Luisa M.; Feuchtgruber, Helmut; Rengel, Miriam; Hartogh, Paul; Courtin, Régis

    2012-11-01

    Disk-averaged observations of water vapor in Titan’s atmosphere acquired with the Herschel satellite are reported. We use a combination of unresolved measurements of three H2O rotational lines at 66.4, 75.4 and 108.0 μm with the PACS instrument, and spectrally-resolved observations of two other transitions at 557 GHz (538 μm) and 1097 GHz (273 μm) with the HIFI instrument, to infer the vertical profile of H2O over the 100-450 km altitude range. Monitoring of the 66.4 μm line indicates no variation between Titan leading and trailing sides, nor variation over a ∼1 year interval. Both the narrow (2-4 MHz) widths of the HIFI-observed lines, and the relative contrasts of the five H2O lines indicate that the H2O mole fraction strongly increases with altitude, with a best fit mole fraction of q0 = (2.3 ± 0.6) × 10-11 at a pressure p = 12.1 mbar, a slope -d(ln q)/d(ln p) = 0.49 ± 0.07, and a H2O column density of (1.2+/-0.2) × 1014 cm-2. This H2O profile also matches the original ISO observations of Titan H2O. Water vertical profiles previously proposed on the basis of 1-D photochemical models are too water-rich, and none of them have the adequate slope; in particular, the water profiles of Lara et al. (Lara, L.M., Lellouch, E., López-Moreno, J.J., Rodrigo, R. [1996]. J. Geophys. Res. E 101, 23261-23283) and Hörst et al. (Hörst, S.M., Vuitton, V., Yelle, R.V. [2008]. J. Geophys. Res. E 113, E10006) are too steep and too shallow, respectively, in the lower stratosphere. Photochemical models of oxygen species in Titan’s atmosphere are reconsidered, updating the Lara et al. model for oxygen chemistry, and adjusting the eddy diffusion coefficient in order to match both our H2O observations and the C2H6 and C2H2 vertical profiles determined from Cassini/CIRS. We find that the H2O profile can be reproduced by invoking a OH/H2O influx of (2.7-3.4) × 105 mol cm-2 s-1, referred to the surface. This is essentially one order of magnitude lower than invoked by

  12. A Monte Carlo study of photochemical model uncertainties affecting the calculation of subsonic perturbations in the upper troposphere

    NASA Technical Reports Server (NTRS)

    Thompson, Anne M.; Stewart, Richard W.

    1994-01-01

    Monte Carlo methods are frequently applied to the evaluation of uncertainties in models with multiple inputs that themselves have associated imprecisions. In the case of photochemical models used to evaluate changes in O3 or OH, inputs analyzed include rate coefficients measured in the laboratory, and chemical and physical constituents measured in the atmosphere. The Monte Carlo method was used with the 1-dimensional GSFC tropospheric photochemical model to examine uncertainty propagation to calculation of NO(x) and the major oxidants (O3, OH) in the upper troposphere. In all cases chemical kinetics inputs are varied and the NO(x) perturbation of a subsonic fleet is simulated. A series of model runs is used to explore sensitivities of model-computed parameters to other parameters: heterogeneous processes, the uncertainty in upper tropospheric H2O vapor measurements, aircraft emissions at different latitudes.

  13. 1-D seismic velocity model and hypocenter relocation using double difference method around West Papua region

    SciTech Connect

    Sabtaji, Agung E-mail: agung.sabtaji@bmkg.go.id; Nugraha, Andri Dian

    2015-04-24

    West Papua region has fairly high of seismicity activities due to tectonic setting and many inland faults. In addition, the region has a unique and complex tectonic conditions and this situation lead to high potency of seismic hazard in the region. The precise earthquake hypocenter location is very important, which could provide high quality of earthquake parameter information and the subsurface structure in this region to the society. We conducted 1-D P-wave velocity using earthquake data catalog from BMKG for April, 2009 up to March, 2014 around West Papua region. The obtained 1-D seismic velocity then was used as input for improving hypocenter location using double-difference method. The relocated hypocenter location shows fairly clearly the pattern of intraslab earthquake beneath New Guinea Trench (NGT). The relocated hypocenters related to the inland fault are also observed more focus in location around the fault.

  14. A One-Dimensional (1-D) Three-Region Model for a Bubbling Fluidized-Bed Adsorber

    SciTech Connect

    Lee, Andrew; Miller, David C.

    2012-01-01

    A general one-dimensional (1-D), three-region model for a bubbling fluidized-bed adsorber with internal heat exchangers has been developed. The model can predict the hydrodynamics of the bed and provides axial profiles for all temperatures, concentrations, and velocities. The model is computationally fast and flexible and allows for any system of adsorption and desorption reactions to be modeled, making the model applicable to any adsorption process. The model has been implemented in both gPROMS and Aspen Custom Modeler, and the behavior of the model has been verified.

  15. INFIL1D: a quasi-analytical model for simulating one-dimensional, constant flux infiltration

    SciTech Connect

    Simmons, C.S.; McKeon, T.J.

    1984-04-01

    The program INFIL1D is designed to calculate approximate wetting-front advance into an unsaturated, uniformly moist, homogeneous soil profile, under constant surface-flux conditions. The code is based on a quasi-analytical method, which utilizes an assumed invariant functional relationship between reduced (normalized) flux and water content. The code uses general hydraulic property data in tabular form to simulate constant surface-flux infiltration. 10 references, 4 figures.

  16. Photochemical grid model implementation and application of VOC, NOx, and O3 source apportionment

    EPA Science Inventory

    For the purposes of developing optimal emissions control strategies, efficient approaches are needed to identify the major sources or groups of sources that contribute to elevated ozone (O3) concentrations. Source-based apportionment techniques implemented in photochemical grid m...

  17. Comparison between a 1D and a 2D numerical model of an active magnetic regenerative refrigerator

    NASA Astrophysics Data System (ADS)

    Petersen, Thomas Frank; Engelbrecht, Kurt; Bahl, Christian R. H.; Elmegaard, Brian; Pryds, Nini; Smith, Anders

    2008-05-01

    The active magnetic regenerator (AMR) refrigeration system represents an environmentally attractive alternative to vapour-compression refrigeration. This paper compares the results of two numerical AMR models: (1) a 1D finite difference model and (2) a 2D finite element model. Both models simulate a reciprocating AMR and can determine the cyclical steady-state temperature profile of the system as well as performance parameters such as the refrigeration capacity, the work input and the coefficient of performance (COP). The models are used to analyse an AMR with a regenerator made of flat parallel plates of gadolinium operating in the presence of a 1 T magnetic field. The results are used to discuss under which circumstances a 1D model is insufficient and a 2D model is necessary. The results indicate that when the temperature gradients in the AMR perpendicular to the flow are small a 1D model obtains accurate results of overall results such as the refrigeration capacity but that a 2D model is required for a detailed analysis of the phenomena occurring inside the AMR.

  18. Glut1 deficiency (G1D): Epilepsy and metabolic dysfunction in a mouse model of the most common human phenotype

    PubMed Central

    Marin-Valencia, Isaac; Good, Levi B.; Ma, Qian; Duarte, Joao; Bottiglieri, Teodoro; Sinton, Christopher M.; Heilig, Charles W.; Pascual, Juan M.

    2012-01-01

    Brain glucose supplies most of the carbon required for acetyl-coenzyme A (acetyl-CoA) generation (an important step for myelin synthesis) and for neurotransmitter production via further metabolism of acetyl-CoA in the tricarboxylic acid (TCA) cycle. However, it is not known whether reduced brain glucose transporter type I (GLUT-1) activity, the hallmark of the GLUT-1 deficiency (G1D) syndrome, leads to acetyl-CoA, TCA or neurotransmitter depletion. This question is relevant because, in its most common form in man, G1D is associated with cerebral hypomyelination (manifested as microcephaly) and epilepsy, suggestive of acetyl-CoA depletion and neurotransmitter dysfunction, respectively. Yet, brain metabolism in G1D remains underexplored both theoretically and experimentally, partly because computational models of limited brain glucose transport are subordinate to metabolic assumptions and partly because current hemizygous G1D mouse models manifest a mild phenotype not easily amenable to investigation. In contrast, adult antisense G1D mice replicate the human phenotype of spontaneous epilepsy associated with robust thalamocortical electrical oscillations. Additionally, and in consonance with human metabolic imaging observations, thalamus and cerebral cortex display the lowest GLUT-1 expression and glucose uptake in the mutant mouse. This depletion of brain glucose is associated with diminished plasma fatty acids and elevated ketone body levels, and with decreased brain acetyl-CoA and fatty acid contents, consistent with brain ketone body consumption and with stimulation of brain beta-oxidation and/or diminished cerebral lipid synthesis. In contrast with other epilepsies, astrocyte glutamine synthetase expression, cerebral TCA cycle intermediates, amino acid and amine neurotransmitter contents are also intact in G1D. The data suggest that the TCA cycle is preserved in G1D because reduced glycolysis and acetyl-CoA formation can be balanced by enhanced ketone body

  19. Seasonal variations of photochemical tracers at low and middle latitudes on Mars: Observations and models

    NASA Astrophysics Data System (ADS)

    Krasnopolsky, Vladimir A.

    2009-06-01

    Mars Express observations give ozone abundances that are smaller than those from the ground-based infrared heterodyne and HST observations at low and middle latitudes. Both ground-based and Mars Express observations of the O 2 dayglow at 1.27 μm, which originates from photolysis of ozone, are in mutual agreement after correction for the local time variability. Therefore a problem appears: whether the MEX ozone data are compatible with (1) the observed O 2 dayglow intensities and (2) the photochemical model by Krasnopolsky [Krasnopolsky, V.A., 2006. Icarus 185, 153-170] within uncertainties of its reaction rate coefficients. That model involves heterogeneous loss of H 2O 2 on water ice and agrees with the observations of the O 2 dayglow, H 2O 2, and the ground-based and HST ozone. The answers are 'yes' to both questions. A version of the model is given that fits the MEX ozone as well as the observed O 2 dayglow and H 2O 2. Laboratory studies of two reaction rate coefficients could indicate a preferable version of the model and a preferable set of the ozone data (MEX versus the ground-based and HST). The predicted seasonal behavior of H 2O 2 is different from that in the model by Lefevre et al. [Lefevre, F., Bertaux, J.L., Clancy, R.T., Encrenaz, T., Fast, K., Forget, F., Lebonnois, S., Montmessin, F., Perrier, S., 2008. Nature 454, 971-975], and future observations may help to choose between the models.

  20. Outdoor smog chamber experiments to test photochemical models. Final report May 78-May 81

    SciTech Connect

    Feffries, H.E.; Kamens, R.M.; Sexron, K.G.; Gerhardt, A.A.

    1982-04-01

    The smog chamber facility of the University of North Carolina was used in a study to provide experimental data for developing and testing kinetic mechanisms of photochemical smog formation. The smog chamber, located outdoors in rural North Carolina, is an A-frame structure covered with Teflon film. Because the chamber is partitioned into two sections, each with a volume of 156 cu m, two experiments can be conducted simultaneously. The dual chamber is operated under natural conditions of solar radiation, temperature, and relative humidity. In this study, 115 dual all-day experiments were conducted using NOx and a variety of organic species. The organic compounds investigated included various paraffins, olefins, aromatics and oxygenates, both singly and in mixtures of two or more components. In this report the data collected over the three-year period of the study are described. The experimental procedures and analytical methods used in this study and the limitations and uncertainties of the data are discussed. Guidance for modeling of the data is also given, including a detailed discussion of how to estimate photolytic rate constants from the available UV and total solar radiation data and how to treat such chamber artifacts as dilution, wall sources and losses of pollutants, and reactivity of the background air.

  1. Photochirogenesis: Photochemical models on the absolute asymmetric formation of amino acids in interstellar space

    NASA Astrophysics Data System (ADS)

    Meinert, Cornelia; de Marcellus, Pierre; Le Sergeant D'Hendecourt, Louis; Nahon, Laurent; Jones, Nykola C.; Hoffmann, Søren V.; Bredehöft, Jan Hendrik; Meierhenrich, Uwe J.

    2011-10-01

    Proteins of all living organisms including plants, animals, and humans are made up of amino acid monomers that show identical stereochemical L-configuration. Hypotheses for the origin of this symmetry breaking in biomolecules include the absolute asymmetric photochemistry model by which interstellar ultraviolet (UV) circularly polarized light (CPL) induces an enantiomeric excess in chiral organic molecules in the interstellar/circumstellar media. This scenario is supported by a) the detection of amino acids in the organic residues of UV-photo-processed interstellar ice analogues, b) the occurrence of L-enantiomer-enriched amino acids in carbonaceous meteorites, and c) the observation of CPL of the same helicity over large distance scales in the massive star-forming region of Orion. These topics are of high importance in topical biophysical research and will be discussed in this review. Further evidence that amino acids and other molecules of prebiotic interest are asymmetrically formed in space comes from studies on the enantioselective photolysis of amino acids by UV-CPL. Also, experiments have been performed on the absolute asymmetric photochemical synthesis of enantiomer-enriched amino acids from mixtures of astrophysically relevant achiral precursor molecules using UV-circularly polarized photons. Both approaches are based on circular dichroic transitions of amino acids that will be highlighted here as well. These results have strong implications on our current understanding of how life's precursor molecules were possibly built and how life selected the left-handed form of proteinogenic amino acids.

  2. An evaluation of 1D loss model collections for the off-design performance prediction of automotive turbocharger compressors

    NASA Astrophysics Data System (ADS)

    Harley, P.; Spence, S.; Early, J.; Filsinger, D.; Dietrich, M.

    2013-12-01

    Single-zone modelling is used to assess different collections of impeller 1D loss models. Three collections of loss models have been identified in literature, and the background to each of these collections is discussed. Each collection is evaluated using three modern automotive turbocharger style centrifugal compressors; comparisons of performance for each of the collections are made. An empirical data set taken from standard hot gas stand tests for each turbocharger is used as a baseline for comparison. Compressor range is predicted in this study; impeller diffusion ratio is shown to be a useful method of predicting compressor surge in 1D, and choke is predicted using basic compressible flow theory. The compressor designer can use this as a guide to identify the most compatible collection of losses for turbocharger compressor design applications. The analysis indicates the most appropriate collection for the design of automotive turbocharger centrifugal compressors.

  3. An improved 1-D seismic velocity model for seismological studies in the Campania-Lucania region (Southern Italy)

    NASA Astrophysics Data System (ADS)

    Matrullo, Emanuela; De Matteis, Raffaella; Satriano, Claudio; Amoroso, Ortensia; Zollo, Aldo

    2013-10-01

    We present a 1-D velocity model of the Earth's crust in Campania-Lucania region obtained by solving the coupled hypocentre-velocity inverse problem for 1312 local earthquakes recorded at a dense regional network. The model is constructed using the VELEST program, which calculates 1-D `minimum' velocity model from body wave traveltimes, together with station corrections, which account for deviations from the simple 1-D structure. The spatial distribution of station corrections correlates with the P-wave velocity variations of a preliminary 3-D crustal velocity model that has been obtained from the tomographic inversion of the same data set of P traveltimes. We found that station corrections reflect not only inhomogeneous near-surface structures, but also larger-scale geological features associated to the transition between carbonate platform outcrops at Southwest and Miocene sedimentary basins at Northeast. We observe a significant trade-off between epicentral locations and station corrections, related to the existence of a thick low-velocity layer to the NE. This effect is taken into account and minimized by re-computing station corrections, fixing the position of a subset of well-determined hypocentres, located in the 3-D tomographic model.

  4. Applications of the Regional Atmospheric Modeling System (RAMS) to provide input to photochemical grid models for the Lake Michigan Ozone Study (LMOS)

    SciTech Connect

    Lyons, W.A.; Tremback, C.J.; Pielke, R.A.; Eastman, J.L.

    1994-12-31

    In spite of stringent emission controls, numerous exceedances of the US ozone air quality standard have continued in the Lake Michigan region, especially during the very hot summers of 1987 and 1988. Analyses revealed that exceedances of the 120 PPB hourly standard were 400% more likely at monitors located within 20 km of the lakeshore. While the role of Lake Michigan in exacerbating regional air quality problems has been investigated for almost 20 years, the relative impacts of various phenomena upon regional photochemical air quality have yet to be quantified. In order to design a defensible regional emission control policy, LMOS sponsored the development of a comprehensive regional photochemical modeling system. This is comprised of an emission model, an advanced regional photochemical model, and a prognostic meteorological model.

  5. The Social Network of Tracer Variations and O(100) Uncertain Photochemical Parameters in the Community Atmosphere Model

    NASA Astrophysics Data System (ADS)

    Lucas, D. D.; Labute, M.; Chowdhary, K.; Debusschere, B.; Cameron-Smith, P. J.

    2014-12-01

    Simulating the atmospheric cycles of ozone, methane, and other radiatively important trace gases in global climate models is computationally demanding and requires the use of 100's of photochemical parameters with uncertain values. Quantitative analysis of the effects of these uncertainties on tracer distributions, radiative forcing, and other model responses is hindered by the "curse of dimensionality." We describe efforts to overcome this curse using ensemble simulations and advanced statistical methods. Uncertainties from 95 photochemical parameters in the trop-MOZART scheme were sampled using a Monte Carlo method and propagated through 10,000 simulations of the single column version of the Community Atmosphere Model (CAM). The variance of the ensemble was represented as a network with nodes and edges, and the topology and connections in the network were analyzed using lasso regression, Bayesian compressive sensing, and centrality measures from the field of social network theory. Despite the limited sample size for this high dimensional problem, our methods determined the key sources of variation and co-variation in the ensemble and identified important clusters in the network topology. Our results can be used to better understand the flow of photochemical uncertainty in simulations using CAM and other climate models. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and supported by the DOE Office of Science through the Scientific Discovery Through Advanced Computing (SciDAC).

  6. Revisiting the Anderson Model with Power-Law Correlated Disorder in 1D and 2D

    NASA Astrophysics Data System (ADS)

    Petersen, Greg; Sandler, Nancy

    2011-03-01

    The dimensionality of a disordered system directly affects the critical energy where a localization/delocalization transition occurs. In non-interacting systems with uncorrelated disorder, it is widely known that all states in one-dimension are localized. However, for some correlations there exist transition energies similar to mobility edges or small subsets of extended states that are robust against disorder. In this talk, we will present results on the diffusion of a wavepacket in a power-law correlated random potential of the form < V (r) V (0) > =1/(a + r)α . We also report results for the participation ratio Pr =1/N 2 < |ai |4 > . Preliminary results for 1D chains support the existence of a mobility edge near the band center. Square and graphene lattices will also be discussed. This work has been supported by the NSF-PIRE mwn/ciam and NSF Grant DMR-0710581.

  7. Simple method for exact calculation of thermodynamic properties of the 1D Hubbard model with infinite repulsion

    SciTech Connect

    Sidorov, K. A.; Ovchinnikov, S. G.; Tikhonov, N. V.

    2013-02-15

    It is shown that the canonical partition function in the 1D Hubbard model with U = {infinity} in the nearest neighbor approximation is determined by the product of canonical partition functions of spinons and holons. In this approximation, the concentration and temperature dependences of the free and internal energies, as well as of the chemical potential, entropy, and heat capacity, are calculated for electron concentrations of 0 {<=} n{sub e} < 1.

  8. Photochemical Modeling of the Distribution of C3H8 in the Atmosphere of Saturn

    NASA Astrophysics Data System (ADS)

    Edgington, S. G.; Simon-Miller, A.; Jennings, D.; Bjoraker, G.; Romani, P.; Achterberg, R.; Orton, G.; Flasar, M.; Cassini CIRS Team

    2005-08-01

    Cassini's Composite Infrared Spectrometer (CIRS) has measured the abundance of C2H2 and C3H8 (Propane) at several latitudes in the Southern hemisphere. An increase of radiance with latitude towards the pole has been observed, possibly implying a corresponding increase of C3H8. In an effort explain the observed distribution of both species, it is important to model the creation, destruction, and transport of these chemical species. Furthermore, since both molecules have overlapping absorption features in the same spectral region near 748 cm-1, such modeling will aid in refining derived abundances and separating temperature effects. The photochemistry model used in Edgington et al. (1998, 1999, 2000) to model simultaneously hydrocarbons, ammonia, and phosphine is updated and expanded to include paths relevant to the creation of C3H8. Destruction occurs through photolysis, while transport would tend to spread C3H8 from its source regions. With a series of exercises in 1- and 2- dimensions, we explore the extent to which photolysis, vertical, and/or meridional transport impacts the distribution of C2H2 and C3H8 with latitude. Thermal profiles derived from CIRS observations versus latitude are used as they have an impact on numerous reaction rates. We then compare these results with abundances derived from observations taken with the CIRS instrument. Edgington, S.G., West, R.A., Friedson, A.J., Atreya, S.K., 2000. A 2-D photochemical model with meridional circulation. Bull. American. Astron. Soc., 32, 1013. Edgington, S.G., S.K. Atreya, L.M. Trafton, J.J. Caldwell, R.F. Beebe, A.A. Simon, and R.A. West, 1999. Ammonia and eddy mixing variations in the southern hemisphere of Jupiter from HST Faint Object Spectrograph Observations. Icarus, 142, 342-357. Edgington, S.G., S.K. Atreya, L.M. Trafton, J.J. Caldwell, R.F. Beebe, A.A. Simon, R.A. West, and C. Barnet, 1998. On the latitude variation of ammonia, acetylene, and phosphine altitude profiles on Jupiter from HST Faint

  9. 1-D and 2-D resonances in an Alpine valley identified from ambient noise measurements and 3-D modelling

    NASA Astrophysics Data System (ADS)

    Le Roux, Olivier; Cornou, Cécile; Jongmans, Denis; Schwartz, Stéphane

    2012-09-01

    H/V spectral ratios are regularly used for estimating the bedrock depth in 1-D like basins exhibiting smooth lateral variations. In the case of 2-D or 3-D pronounced geometries, observational and numerical studies have shown that H/V curves exhibit peculiar shapes and that the H/V frequency generally overestimates 1-D theoretical resonance frequency. To investigate the capabilities of the H/V method in complex structures, a detailed comparison between measured and 3-D-simulated ambient vibrations was performed in the small-size lower Romanche valley (French Alps), which shows significant variations in geometry, downstream and upstream the Séchilienne basin. Analysing the H/V curve characteristics, two different wave propagation modes were identified along the valley. Relying on previous geophysical investigation, a power-law relationship was derived between the bedrock depth and the H/V peak frequency, which was used for building a 3-D model of the valley geometry. Simulated and experimental H/V curves were found to exhibit quite similar features in terms of curve shape and peak frequency values, validating the 3-D structure. This good agreement also evidenced two different propagation modes in the valley: 2-D resonance in the Séchilienne basin and 1-D resonance in the external parts. This study underlines the interest of H/V curves for investigating complex basin structures.

  10. A PHOTOCHEMICAL MODEL FOR THE CARBON-RICH PLANET WASP-12b

    SciTech Connect

    Kopparapu, Ravi kumar; Kasting, James F.; Zahnle, Kevin J.

    2012-01-20

    The hot-Jupiter WASP-12b is a heavily irradiated exoplanet in a short-period orbit around a G0-star with twice the metallicity of the Sun. A recent thermochemical equilibrium analysis based on Spitzer and ground-based infrared observations suggests that the presence of CH{sub 4} in its atmosphere and the lack of H{sub 2}O features can only be explained if the carbon-to-oxygen ratio in the planet's atmosphere is much greater than the solar ratio ([C]/[O] = 0.54). Here, we use a one-dimensional photochemical model to study the effect of disequilibrium chemistry on the observed abundances of H{sub 2}O, CO, CO{sub 2}, and CH{sub 4} in the WASP-12b atmosphere. We consider two cases: one with solar [C]/[O] and another with [C]/[O] = 1.08. The solar case predicts that H{sub 2}O and CO are more abundant than CO{sub 2} and CH{sub 4}, as expected, whereas the high [C]/[O] model shows that CO, C{sub 2}H{sub 2}, and HCN are more abundant. This indicates that the extra carbon from the high [C]/[O] model is in hydrocarbon species. H{sub 2}O photolysis is the dominant disequilibrium mechanism that alters the chemistry at higher altitudes in the solar [C]/[O] case, whereas photodissociation of C{sub 2}H{sub 2} and HCN is significant in the super-solar case. Furthermore, our analysis indicates that C{sub 2}H{sub 2} is the major absorber in the atmosphere of WASP-12b and the absorption features detected near 1.6 and 8 {mu}m may be arising from C{sub 2}H{sub 2} rather than CH{sub 4}. The Hubble Space Telescope's WFC3 can resolve this discrepancy, as C{sub 2}H{sub 2} has absorption between 1.51 and 1.54 {mu}m, while CH{sub 4} does not.

  11. Interaction of a single mode field cavity with the 1D XY model: Energy spectrum

    NASA Astrophysics Data System (ADS)

    Tonchev, H.; Donkov, A. A.; Chamati, H.

    2016-02-01

    In this work we use the fundamental in quantum optics Jaynes-Cummings model to study the response of spin 1/2chain to a single mode of a laser light falling on one of the spins, a focused interaction model between the light and the spin chain. For the spin-spin interaction along the chain we use the XY model. We report here the exact analytical results, obtained with the help of a computer algebra system, for the energy spectrum in this model for chains of up to 4 spins with nearest neighbors interactions, either for open or cyclic chain configurations. Varying the sign and magnitude of the spin exchange coupling relative to the light-spin interaction we have investigated both cases of ferromagnetic or antiferromagnetic spin chains.

  12. Spacing distribution functions for 1D point island model with irreversible attachment

    NASA Astrophysics Data System (ADS)

    Gonzalez, Diego; Einstein, Theodore; Pimpinelli, Alberto

    2011-03-01

    We study the configurational structure of the point island model for epitaxial growth in one dimension. In particular, we calculate the island gap and capture zone distributions. Our model is based on an approximate description of nucleation inside the gaps. Nucleation is described by the joint probability density p xy n (x,y), which represents the probability density to have nucleation at position x within a gap of size y. Our proposed functional form for p xy n (x,y) describes excellently the statistical behavior of the system. We compare our analytical model with extensive numerical simulations. Our model retains the most relevant physical properties of the system. This work was supported by the NSF-MRSEC at the University of Maryland, Grant No. DMR 05-20471, with ancillary support from the Center for Nanophysics and Advanced Materials (CNAM).

  13. Analysis, simulation and visualization of 1D tapping via reduced dynamical models

    NASA Astrophysics Data System (ADS)

    Blackmore, Denis; Rosato, Anthony; Tricoche, Xavier; Urban, Kevin; Zou, Luo

    2014-04-01

    A low-dimensional center-of-mass dynamical model is devised as a simplified means of approximately predicting some important aspects of the motion of a vertical column comprised of a large number of particles subjected to gravity and periodic vertical tapping. This model is investigated first as a continuous dynamical system using analytical, simulation and visualization techniques. Then, by employing an approach analogous to that used to approximate the dynamics of a bouncing ball on an oscillating flat plate, it is modeled as a discrete dynamical system and analyzed to determine bifurcations and transitions to chaotic motion along with other properties. The predictions of the analysis are then compared-primarily qualitatively-with visualization and simulation results of the reduced continuous model, and ultimately with simulations of the complete system dynamics.

  14. A 1D coupled Schroedinger drift-diffusion model including collisions

    SciTech Connect

    Baro, M. . E-mail: baro@wias-berlin.de; Abdallah, N. Ben . E-mail: naoufel@mip.ups-tlse.fr; Degond, P. . E-mail: degond@mip.ups-tlse.fr; El Ayyadi, A. . E-mail: elayyadi@mathematik.uni-mainz.de

    2005-02-10

    We consider a one-dimensional coupled stationary Schroedinger drift-diffusion model for quantum semiconductor device simulations. The device domain is decomposed into a part with large quantum effects (quantum zone) and a part where quantum effects are negligible (classical zone). We give boundary conditions at the classic-quantum interface which are current preserving. Collisions within the quantum zone are introduced via a Pauli master equation. To illustrate the validity we apply the model to three resonant tunneling diodes.

  15. Assessing the impact of different sources of topographic data on 1-D hydraulic modelling of floods

    NASA Astrophysics Data System (ADS)

    Ali, A. Md; Solomatine, D. P.; Di Baldassarre, G.

    2014-07-01

    Topographic data, such as digital elevation models (DEMs), are essential input in flood inundation modelling. DEMs can be derived from several sources either through remote sensing techniques (space-borne or air-borne imagery) or from traditional methods (ground survey). The Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER), the Shuttle Radar Topography Mission (SRTM), the Light Detection and Ranging (LiDAR), and topographic contour maps are some of the most commonly used sources of data for DEMs. These DEMs are characterized by different precision and accuracy. On the one hand, the spatial resolution of low-cost DEMs from satellite imagery, such as ASTER and SRTM, is rather coarse (around 30-90 m). On the other hand, LiDAR technique is able to produce a high resolution DEMs (around 1m), but at a much higher cost. Lastly, contour mapping based on ground survey is time consuming, particularly for higher scales, and may not be possible for some remote areas. The use of these different sources of DEM obviously affects the results of flood inundation models. This paper shows and compares a number of hydraulic models developed using HEC-RAS as model code and the aforementioned sources of DEM as geometric input. The study was carried out on a reach of the Johor River, in Malaysia. The effect of the different sources of DEMs (and different resolutions) was investigated by considering the performance of the hydraulic models in simulating flood water levels as well as inundation maps. The outcomes of our study show that the use of different DEMs has serious implications to the results of hydraulic models. The outcomes also indicates the loss of model accuracy due to re-sampling the highest resolution DEM (i.e. LiDAR 1 m) to lower resolution are much less compared to the loss of model accuracy due to the use of low-cost DEM that have not only a lower resolution, but also a lower quality. Lastly, to better explore the sensitivity of the hydraulic models

  16. Space-based Observational Constraints for 1-D Plume Rise Models

    NASA Technical Reports Server (NTRS)

    Martin, Maria Val; Kahn, Ralph A.; Logan, Jennifer A.; Paguam, Ronan; Wooster, Martin; Ichoku, Charles

    2012-01-01

    We use a space-based plume height climatology derived from observations made by the Multi-angle Imaging SpectroRadiometer (MISR) instrument aboard the NASA Terra satellite to evaluate the ability of a plume-rise model currently embedded in several atmospheric chemical transport models (CTMs) to produce accurate smoke injection heights. We initialize the plume-rise model with assimilated meteorological fields from the NASA Goddard Earth Observing System and estimated fuel moisture content at the location and time of the MISR measurements. Fire properties that drive the plume-rise model are difficult to estimate and we test the model with four estimates for active fire area and four for total heat flux, obtained using empirical data and Moderate Resolution Imaging Spectroradiometer (MODIS) re radiative power (FRP) thermal anomalies available for each MISR plume. We show that the model is not able to reproduce the plume heights observed by MISR over the range of conditions studied (maximum r2 obtained in all configurations is 0.3). The model also fails to determine which plumes are in the free troposphere (according to MISR), key information needed for atmospheric models to simulate properly smoke dispersion. We conclude that embedding a plume-rise model using currently available re constraints in large-scale atmospheric studies remains a difficult proposition. However, we demonstrate the degree to which the fire dynamical heat flux (related to active fire area and sensible heat flux), and atmospheric stability structure influence plume rise, although other factors less well constrained (e.g., entrainment) may also be significant. Using atmospheric stability conditions, MODIS FRP, and MISR plume heights, we offer some constraints on the main physical factors that drive smoke plume rise. We find that smoke plumes reaching high altitudes are characterized by higher FRP and weaker atmospheric stability conditions than those at low altitude, which tend to remain confined

  17. Model calculations of O2(1D) production in microcathode sustained discharges in argon/oxygen mixtures

    NASA Astrophysics Data System (ADS)

    Munoz-Serrano, E.; Hagelaar, G.; Boeuf, J. P.; Pitchford, L. C.

    2006-10-01

    It is now well established that non-thermal, high-pressure plasmas can be initiated and sustained between a microhollow cathode discharge (MHCD) acting as a plasma cathode and a third electrode placed some distance away. To investigate the properties of the plasma created in such a microcathode sustaind (MCS) discharge configuration, we have developed a 2D quasi-neutral model of a radially expanding ``positive-column'' in which the current crossing the exit plane of the MHCD is input as a boundary condition. We are particularly interested in determining operating conditions leading to high yields of singlet delta (metastable) oxygen molecules O2(1D), and thus the model includes a kinetic scheme to describe the plasma chemistry in pure O2 and in Ar/O2 mixtures. For 10% O2 in a 50 torr Ar/O2 mixture, a discharge current of 1 mA, a 200 micron MHCD hole diameter and 0.6 cm gap spacing, we find that the reduced electric field, E/N, on-axis at the mid-plane is about 15 Td. The calculated O2(1D) yield on-axis near the exit of the MHCD is 10%. For higher O2 partial pressures, quenching of O2(1D) in 3-body collisions with O2 and O atoms leads to a decrease in the predicted yield, but the optimum pressure depends on the assumed values for the 3-body quenching rates. Details of the model and results of species density profiles for a range of conditions will be presented.

  18. Modeling 1-D deflagration to detonation transition (DDT) in porous explosive

    SciTech Connect

    Weston, A.M.; Lee, E.L.

    1985-04-04

    A one-dimensional Lagrange hydrodynamic computer model is presented that describes gas flow, compaction, ignition, and deflagration processes in deformable porous beds. The model makes use of a consumable finite element cell that allows gas to flow through a compacting matrix. The model can be regarded as structural in the sense that the initial cell dimension is directly related to mean particle size. Experimental investigation of the DDT phenomenon are typically carried out using long thick-walled tubes filled with a granular porous bed of reactive material. In this configuration, much of the process can be described by flow in one dimension. We present calculations that simulate both squib initiated and piston initiated experiments on porous HMX to point out various observed features. Our purpose is to establish a basis for setting bounds on the physical parameters that describe such transient reaction processes. 16 refs., 17 figs., 1 tab.

  19. Computer modeling of simulated photochemical smog. Final report, Sep 77-Aug 79

    SciTech Connect

    Hendry, D.G.; Baldwin, A.C.; Golden, D.M.

    1980-02-01

    Efforts to develop chemical kinetic mechanisms to describe the formation of photochemical smog are discussed. Detailed mechanisms for the atmospheric reactions of toluene, m-xylene, propene, ethene, formaldehyde and acetaldehyde were constructed from available experimental and chemical kinetic data. These mechanisms were used to simulate smog chamber data from the Statewide Air Pollution Research Center at the University of California, Riverside and the outdoor facility of the University of North Carolina.

  20. 2D MHD and 1D HD Models of a Solar Flare—a Comprehensive Comparison of the Results

    NASA Astrophysics Data System (ADS)

    Falewicz, R.; Rudawy, P.; Murawski, K.; Srivastava, A. K.

    2015-11-01

    Without any doubt, solar flaring loops possess a multithread internal structure that is poorly resolved, and there are no means to observe heating episodes and thermodynamic evolution of the individual threads. These limitations cause fundamental problems in numerical modeling of flaring loops, such as selection of a structure and a number of threads, and an implementation of a proper model of the energy deposition process. A set of one-dimensional (1D) hydrodynamic and two-dimensional (2D) magnetohydrodynamic models of a flaring loop are developed to compare energy redistribution and plasma dynamics in the course of a prototypical solar flare. Basic parameters of the modeled loop are set according to the progenitor M1.8 flare recorded in AR 10126 on 2002 September 20 between 09:21 UT and 09:50 UT. The nonideal 1D models include thermal conduction and radiative losses of the optically thin plasma as energy-loss mechanisms, while the nonideal 2D models take into account viscosity and thermal conduction as energy-loss mechanisms only. The 2D models have a continuous distribution of the parameters of the plasma across the loop and are powered by varying in time and space along and across the loop heating flux. We show that such 2D models are an extreme borderline case of a multithread internal structure of the flaring loop, with a filling factor equal to 1. Nevertheless, these simple models ensure the general correctness of the obtained results and can be adopted as a correct approximation of the real flaring structures.

  1. 2D MHD AND 1D HD MODELS OF A SOLAR FLARE—A COMPREHENSIVE COMPARISON OF THE RESULTS

    SciTech Connect

    Falewicz, R.; Rudawy, P.; Murawski, K.; Srivastava, A. K. E-mail: rudawy@astro.uni.wroc.pl E-mail: asrivastava.app@iitbhu.ac.in

    2015-11-01

    Without any doubt, solar flaring loops possess a multithread internal structure that is poorly resolved, and there are no means to observe heating episodes and thermodynamic evolution of the individual threads. These limitations cause fundamental problems in numerical modeling of flaring loops, such as selection of a structure and a number of threads, and an implementation of a proper model of the energy deposition process. A set of one-dimensional (1D) hydrodynamic and two-dimensional (2D) magnetohydrodynamic models of a flaring loop are developed to compare energy redistribution and plasma dynamics in the course of a prototypical solar flare. Basic parameters of the modeled loop are set according to the progenitor M1.8 flare recorded in AR 10126 on 2002 September 20 between 09:21 UT and 09:50 UT. The nonideal 1D models include thermal conduction and radiative losses of the optically thin plasma as energy-loss mechanisms, while the nonideal 2D models take into account viscosity and thermal conduction as energy-loss mechanisms only. The 2D models have a continuous distribution of the parameters of the plasma across the loop and are powered by varying in time and space along and across the loop heating flux. We show that such 2D models are an extreme borderline case of a multithread internal structure of the flaring loop, with a filling factor equal to 1. Nevertheless, these simple models ensure the general correctness of the obtained results and can be adopted as a correct approximation of the real flaring structures.

  2. Forward waveform modelling procedure for 1-D crustal velocity structure and its application to the southern Korean Peninsula

    NASA Astrophysics Data System (ADS)

    Kim, Seongryong; Rhie, Junkee; Kim, Geunyoung

    2011-04-01

    We propose a full-grid search procedure for broad-band waveform modelling to determine a 1-D crustal velocity model. The velocity model can be more constrained because of the use of broad-band waveforms instead of traveltimes for the crustal phases, although only a small number of event-station pairs were employed. Despite the time-consuming nature of the full-grid search method to search the whole model parameter space, the use of an empirical relationship between the P- and S-wave velocities can significantly reduce computation time. The proposed method was applied to a case in the southern Korean Peninsula. Broad-band waveforms obtained from two inland earthquakes that occurred on 2007 January 20 (Mw 4.6) and 2004 April 26 (Mw 3.6) were used to test the method. The three-layers over half-space crustal velocity model of the P- and S-wave velocities was estimated. Comparisons of waveform fitness between the final model and previously published models demonstrate advancements in the average value of waveform fitness for the inland earthquakes. In addition, 1-D velocity models were determined for three distinct tectonic regions, namely, the Gyonggi Massif, the Okcheon Belt and the Gyeongsang Basin, which are all located inside the study area. A comparison between the three models demonstrates that the crustal thickness of the southern Korean Peninsula increases from NW to SE and that the lower crustal composition of the Okcheon belt differs from that of the other tectonic regions.

  3. PROM4: 1D isothermal and isobaric modeler for solar prominences

    NASA Astrophysics Data System (ADS)

    Gouttebroze, P.; Labrosse, N.

    2013-06-01

    PROM4 computes simple models of solar prominences which consist of plane-parallel slabs standing vertically above the solar surface. Each model is defined by 5 parameters: temperature, density, geometrical thickness, microturbulent velocity and height above the solar surface. PROM4 solves the equations of radiative transfer, statistical equilibrium, ionization and pressure equilibria, and computes electron and hydrogen level populations and hydrogen line profiles. Written in Fortran 90 and with two versions available (one with text in English, one with text in French), the code needs 64-bit arithmetic for real numbers.

  4. Reactive Transport Modeling of Microbially-Mediated Chromate Reduction in 1-D Soil Columns

    NASA Astrophysics Data System (ADS)

    Qiu, H.; Viamajala, S.; Alam, M. M.; Peyton, B. M.; Petersen, J. N.; Yonge, D. R.

    2002-12-01

    Cr(VI) reduction tests were performed with the well known metal reducing bacterium Shewanella oneidensis MR-1 in liquid phase batch reactors and continuous flow soil columns under anaerobic conditions. In the batch tests, the cultures were grown with fumarate as the terminal electron acceptor and lactate as the electron donor in a simulated groundwater medium to determine yield coefficients and specific growth rates. The bench-scale soil column experiments were carried out with MR-1 to test the hypothesis that the kinetic parameters obtained in batch studies, combined with microbial attachment /detachment processes, will accurately predict reactive transport of Cr(VI) during bacterial Cr(VI) reduction in a soil matrix. Cr(VI)-free simulated groundwater media containing fumarate as the limiting substrate and lactate was supplied to a 2.1cm (ID) x 15 cm soil column inoculated with MR-1 for a duration of 9 residence times to allow for biomass to build-up in the column. Thereafter the column was supplied with both Cr(VI) and substrate. The concentrations of effluent substrate, biomass and Cr(VI) were monitored on a periodic basis and attached biomass in the column was measured in the termination of each column test. A reactive transport model was developed in which 6 governing equations deal with Cr(VI) bioreaction, fumarate (as electron donor) consumption, aqueous biomass growth and transport, solid biomass detachment and attachment kinetics, aqueous and solid phase enzyme reaction and transport, respectively. The model incorporating the enzyme reaction kinetics for Cr(VI) reduction, Monod kinetic expressions for substrate depletion, nonlinear attachment and detachment kinetics for aqueous and solid phase microorganism concentration, was solved by a fully implicit, finite-difference procedure using RT3D (A Modular Computer Code for Reactive Multi-species Transport in 3-Dimensional Groundwater Systems) platform in one dimension. Cr(VI)-free column data was used to

  5. Prediction of the expansion velocity of ultracold 1D quantum gases for integrable models

    NASA Astrophysics Data System (ADS)

    Mei, Zhongtao; Vidmar, Lev; Heidrich-Meisner, Fabian; Bolech, Carlos

    In the theory of Bethe-ansatz integrable quantum systems, rapidities play an important role as they are used to specify many-body states. The physical interpretation of rapidities going back to Sutherland is that they are the asymptotic momenta after letting a quantum gas expand into a larger volume rendering it dilute and noninteracting. We exploit this picture to calculate the expansion velocity of a one-dimensional Fermi-Hubbard model by using the distribution of rapidities defined by the initial state. Our results are consistent with the ones from time-dependent density-matrix renormalization. We show in addition that an approximate Bethe-ansatz solution works well also for the Bose-Hubbard model. Our results are of interests for future sudden-expansion experiments with ultracold quantum gases.

  6. Stochastic Heat Equation Limit of a (2 + 1)d Growth Model

    NASA Astrophysics Data System (ADS)

    Borodin, Alexei; Corwin, Ivan; Toninelli, Fabio Lucio

    2016-07-01

    We determine a {q to 1} limit of the two-dimensional q-Whittaker driven particle system on the torus studied previously in Corwin and Toninelli (Electron. Commun. Probab. 21(44):1-12, 2016). This has an interpretation as a (2 + 1)-dimensional stochastic interface growth model, which is believed to belong to the so-called anisotropic Kardar-Parisi-Zhang (KPZ) class. This limit falls into a general class of two-dimensional systems of driven linear SDEs which have stationary measures on gradients. Taking the number of particles to infinity we demonstrate Gaussian free field type fluctuations for the stationary measure. Considering the temporal evolution of the stationary measure, we determine that along characteristics, correlations are asymptotically given by those of the (2 + 1)-dimensional additive stochastic heat equation. This confirms (for this model) the prediction that the non-linearity for the anisotropic KPZ equation in (2 + 1)-dimension is irrelevant.

  7. A 1-D Model of the 4 Bed Molecular Sieve of the Carbon Dioxide Removal Assembly

    NASA Technical Reports Server (NTRS)

    Coker, Robert; Knox, Jim

    2015-01-01

    Developments to improve system efficiency and reliability for water and carbon dioxide separation systems on crewed vehicles combine sub-scale systems testing and multi-physics simulations. This paper describes the development of COMSOL simulations in support of the Life Support Systems (LSS) project within NASA's Advanced Exploration Systems (AES) program. Specifically, we model the 4 Bed Molecular Sieve (4BMS) of the Carbon Dioxide Removal Assembly (CDRA) operating on the International Space Station (ISS).

  8. A Simplified 1-D Model for Calculating CO2 Leakage through Conduits

    SciTech Connect

    Zhang, Y.; Oldenburg, C.M.

    2011-02-15

    In geological CO{sub 2} storage projects, a cap rock is generally needed to prevent CO{sub 2} from leaking out of the storage formation. However, the injected CO{sub 2} may still encounter some discrete flow paths such as a conductive well or fault (here referred to as conduits) through the cap rock allowing escape of CO{sub 2} from the storage formation. As CO{sub 2} migrates upward, it may migrate into the surrounding formations. The amount of mass that is lost to the formation is called attenuation. This report describes a simplified model to calculate the CO{sub 2} mass flux at different locations of the conduit and the amount of attenuation to the surrounding formations. From the comparison among the three model results, we can conclude that the steady-state conduit model (SSCM) provides a more accurate solution than the PMC at a given discretization. When there is not a large difference between the permeability of the surrounding formation and the permeability of the conduits, and there is leak-off at the bottom formation (the formation immediately above the CO{sub 2} plume), a fine discretization is needed for an accurate solution. Based on this comparison, we propose to use the SSCM in the rapid prototype for now given it does not produce spurious oscillations, and is already in FORTRAN and therefore can be easily made into a dll for use in GoldSim.

  9. 1-D and 2-D modeling of U-Ti alloy response in impact experiments

    NASA Astrophysics Data System (ADS)

    Hermann, B.; Favorsky, V.; Landau, A.; Shvarts, D.; Zaretsky, E. B.

    2003-09-01

    Dynamie response of a U-0.75wt%Ti alloy bas been studied in planar (disk-on-disk), reverse (disk-on-rod) and symmetric (rod-on-rod) ballistic impact experiments performed with a 25 mm light-gas gun. The impact velocities ranged between 100 and 500 m/see and the samples were softly recovered for further examination, revealing different degrees of spall fracture (planar impact) and of adiabatic shear bands (ballistic experiments). The back (planar experiments) and the lateral (ballistic experiments) surface velocities were continuously monitored by VISAR. The velocity profiles and the damage maps were simulated using a 2-D AUTODYN^TM Lagrangian finite differences code. Simulations of the planar experiments were performed with special attention to the compressive path of the loading cycle in order to calibrate a modified Steinberg-Cochran-Guinan (SCG) constitutive model. The Bauschinger effect and a single-parameter spall model were added to describe the unloading and tensile paths. The calibrated SCG model was then employed to simulate the ballistic experiments. An erosion AUTODYN built-in subroutine with a threshold value of plastic strain was chosen to describe the failure in the ballistic impact experiments. The results of the suggested experimental-numerical technique can be taken into account in estimating the different contributions to the shock-induced plastic deformation and failure.

  10. On nonminimal N=4 supermultiplets in 1D and their associated {sigma}-models

    SciTech Connect

    Gonzales, Marcelo; Khodaee, Sadi; Toppan, Francesco

    2011-01-15

    We construct the nonminimal linear representations of the N=4 extended supersymmetry in one-dimension. They act on eight bosonic and eight fermionic fields. Inequivalent representations are specified by the mass-dimension of the fields and the connectivity of the associated graphs. The oxidation to minimal N=5 linear representations is given. Two types of N=4{sigma}-models based on nonminimal representations are obtained: the resulting off-shell actions are either manifestly invariant or depend on a constrained prepotential. The connectivity properties of the graphs play a decisive role in discriminating inequivalent actions. These results find application in partial breaking of supersymmetric theories.

  11. Dynamical correlation functions of the 1D Bose gas (Lieb Liniger model)

    NASA Astrophysics Data System (ADS)

    Caux, Jean-Sebastien; Calabrese, Pasquale

    2007-03-01

    The momentum- and frequency-dependent correlation functions (one-body and density-density) of the one-dimensional interacting Bose gas (Lieb-Liniger model) are obtained for any value (repulsive or attractive) of the interaction parameter. In the repulsive regime, we use the Algebraic Bethe Ansatz and the ABACUS method to reconstruct the correlators to high accuracy for systems with finite but large numbers of particles. For attractive interactions, the correlations are computed analytically. Our results are discussed, with particular emphasis on their applications to quasi-one-dimensional atomic gases.

  12. A 1-D Size Specific Numerical Model for Gravel Transport That Includes Sediment Exchange with a Floodplain

    NASA Astrophysics Data System (ADS)

    Lauer, Wesley; Viparelli, Enrica; Piegay, Herve

    2014-05-01

    Sedimentary deposits adjacent to rivers can represent important sources and sinks for bed material sediment, particularly on decadal and longer timescales. The Morphodynamics and Sediment Tracers in 1-D model (MAST-1D) is a size-specific sediment transport model that allows for active exchange between channel and floodplain sediment on river reaches of tens to hundreds of kilometers in length. The model is intended to provide a mechanism for performing a first-order assessment of the likely importance of off-channel sediment exchange in controlling decadal-scale geomorphic trends, thereby helping plan and/or prioritize field data collection and higher resolution modeling work. The model develops a sediment budget for short segments of an alluvial valley. Each segment encompasses several active river bends. In each segment, a sediment transport capacity computation is performed to determine the downstream flux of bed material sediment, following the approach of most other 1-D sediment transport models. However, the model differs from most other bed evolution models in that sediment can be exchanged with the floodplain in each segment, and mass conservation is applied to both the active layer and floodplain sediment storage reservoirs. The potential for net imbalances in overall exchange as well as the size specific nature of the computations allows the model to simulate reach-scale aggradation/degradation and/or changes in bed texture. The inclusion of fine sediment in the model allows it to track geochemical tracer material and also provides a mechanism to simulate, to first order, the effects of changes in the supply of silt and clay on overall channel hydraulic capacity. The model is applied to a ~40 km reach of the Ain River, a tributary of the Rhône River in eastern France that has experienced a significant sediment deficit as a result of the construction of several dams between 1920 and 1970. MAST-1D simulations result in both incision and the formation of a

  13. Broken Symmetry Bond Order Phase Transitions in 1D Generalized Ionic Hubbard Models

    NASA Astrophysics Data System (ADS)

    Wilkens, Tim; Martin, Richard M.

    2000-03-01

    An ionic Hubbard model at half filling is expected to undergo a transition from a band insulator (BI) at U=0 to a Mott insulator (MI) like the usual Hubbard model at large U. In previous numerical work this was found to occur at a metallic point with an abrupt change of 1/2 in the electronic polarization(R.Resta and S.Sorella, PRL 74) 4738 (1995); G.Ortiz et al, PRB 54 13515 (1996).; however, this left open questions about the transition since a topological variable cannot be a valid order parameter for a true phase transition. Recent theoretical work has predicted the existence of a Bond Ordered (BO) phase between the BI and MI phases(M.Fabrizio et al, PRL 83) 2014 (1999) . We report the results of Quantum Monte Carlo (QMC) calculations that determine the spontaneous BO order parameter and polarization showing a second order quantum phase transition at a critical U. Studies at large U and/or small ionicity lead to our conclusion that the MI is unstable to the BO phase at any non-zero ionicity. These results further suggest interesting conclusions about quantized charge transport in these correlated systems.

  14. Air-snowpack exchange of bromine, ozone and mercury in the springtime Arctic simulated by the 1-D model PHANTAS

    NASA Astrophysics Data System (ADS)

    Toyota, K.; Dastoor, A. P.; Staebler, R. M.; McConnell, J. C.

    2012-04-01

    A dynamic exchange of halogens between the ocean, sea ice, snowpack, and the atmosphere is a main driver for the occurrence of ozone depletion episodes (ODEs) and atmospheric mercury depletion episodes (AMDEs) in the polar boundary layer particularly during the spring. Oxidized mercury is deposited to the snow/ice surface efficiently concurrent with the AMDEs and can be transformed to methyl-mercury, which subsequently bio-magnifies and imposes various health threats to northern communities and wild life. However, some field measurements of mercury in the snowpack and overlying ambient air, including but not limited to those in the polar region, indicate the photochemical reduction of oxidized mercury back to gaseous elemental mercury (GEM) on timescales of days to weeks whereas other studies show no evidence of rapid reduction. Such differences could be attributed not only to meteorological factors like temperature but also to chemical/biological factors that control the abundance of halogens and organic compounds, with a link to the redox chemistry of mercury. In order to understand the role of each driving process in the overall behaviors of mercury in the polar region, we have developed a one-dimensional model, PHANTAS (a model of PHotochemistry ANd Transport in Air and Snowpack), which describes multiphase chemistry in the gas phase, aerosols and the brine layer assumed to exist on the grain surface of saline snowpack. Henry's law for Hg(II) gases and aqueous-phase stability constants for Hg(II)-halide complexes are re-evaluated including their temperature dependence. Photochemical reduction of Hg(II) to Hg(0) in the aqueous phase is handled simply by a prescribed first-order rate constant with diurnal variations. The model also handles the transport of gases and aerosols across the snowpack and the turbulent atmospheric boundary layer. The atmospheric profile of turbulent diffusivity down to the interfacial sublayer is diagnosed from an arbitrary chosen set

  15. 1-D transient numerical model of a regenerator in a novel sub Kelvin Active Magnetic Regenerative Refrigerator

    NASA Astrophysics Data System (ADS)

    Jahromi, Amir E.; Miller, Franklin K.

    2016-03-01

    A sub Kelvin Active Magnetic Regenerative Refrigerator (AMRR) is being developed at the University of Wisconsin - Madison. This AMRR consists of two circulators, two regenerators, one superleak, one cold heat exchanger, and two warm heat exchangers. The circulators are novel non-moving part pumps that reciprocate a superfluid mixture of 4He-3He in the system. Heat from the mixture is removed within the two regenerators of this tandem system. An accurate model of the regenerators in this AMRR is necessary in order to predict the performance of these components, which in turn helps predicting the overall performance of the AMRR system. This work presents modeling methodology along with results from a 1-D transient numerical model of the regenerators of an AMRR capable of removing 2.5 mW at 850 mK at cyclic steady state.

  16. Modeling of the Plasma Electrode Bias in the Negative Ion Sources with 1D PIC Method

    SciTech Connect

    Matsushita, D.; Kuppel, S.; Hatayama, A.; Fukano, A.; Bacal, M.

    2009-03-12

    The effect of the plasma electrode bias voltage in the negative ion sources is modeled and investigated with one-dimensional plasma simulation. A particle-in-cell (PIC) method is applied to simulate the motion of charged particles in their self-consistent electric field. In the simulation, the electron current density is fixed to produce the bias voltage. The tendency of current-voltage characteristics obtained in the simulation show agreement with the one obtained from a simple probe theory. In addition, the H{sup -} ion density peak appears at the bias voltage close to the plasma potential as observed in the experiment. The physical mechanism of this peak H{sup -} ion density is discussed.

  17. Hyperbolic reformulation of a 1D viscoelastic blood flow model and ADER finite volume schemes

    SciTech Connect

    Montecinos, Gino I.; Müller, Lucas O.; Toro, Eleuterio F.

    2014-06-01

    The applicability of ADER finite volume methods to solve hyperbolic balance laws with stiff source terms in the context of well-balanced and non-conservative schemes is extended to solve a one-dimensional blood flow model for viscoelastic vessels, reformulated as a hyperbolic system, via a relaxation time. A criterion for selecting relaxation times is found and an empirical convergence rate assessment is carried out to support this result. The proposed methodology is validated by applying it to a network of viscoelastic vessels for which experimental and numerical results are available. The agreement between the results obtained in the present paper and those available in the literature is satisfactory. Key features of the present formulation and numerical methodologies, such as accuracy, efficiency and robustness, are fully discussed in the paper.

  18. Existence of a metallic phase in a 1D Holstein Hubbard model at half filling

    NASA Astrophysics Data System (ADS)

    Krishna, Phani Murali; Chatterjee, Ashok

    2007-06-01

    The one-dimensional half-filled Holstein-Hubbard model is studied using a series of canonical transformations including phonon coherence effect that partly depends on the electron density and is partly independent and also incorporating the on-site and the nearest-neighbour phonon correlations and the exact Bethe-ansatz solution of Lieb and Wu. It is shown that choosing a better variational phonon state makes the polarons more mobile and widens the intermediate metallic region at the charge-density-wave-spin-density-wave crossover recently predicted by Takada and Chatterjee. The presence of this metallic phase is indeed a favourable situation from the point of view of high temperature superconductivity.

  19. Development of a 3D to 1D Particle Transport Model to Predict Deposition in the Lungs

    NASA Astrophysics Data System (ADS)

    Oakes, Jessica M.; Grandmont, Celine; Shadden, Shawn C.; Vignon-Clementel, Irene E.

    2014-11-01

    Aerosolized particles are commonly used for therapeutic drug delivery as they can be delivered to the body systemically or be used to treat lung diseases. Recent advances in computational resources have allowed for sophisticated pulmonary simulations, however it is currently impossible to solve for airflow and particle transport for all length and time scales of the lung. Instead, multi-scale methods must be used. In our recent work, where computational methods were employed to solve for airflow and particle transport in the rat airways (Oakes et al. (2014), Annals of Biomedical Engineering 42, 899), the number of particles to exit downstream of the 3D domain was determined. In this current work, the time-dependent Lagrangian description of particles was used to numerically solve a 1D convection-diffusion model (trumpet model, Taulbee and Yu (1975), Journal of Applied Physiology, 38, 77) parameterized specifically for the lung. The expansion of the airway dimensions was determined based on data collected from our aerosol exposure experiments (Oakes et al. (2014), Journal of Applied Physiology, 116, 1561). This 3D-1D framework enables us to predict the fate of particles in the whole lung. This work was supported by the Whitaker Foundation at the IIE, a INRIA Associated Team Postdoc Grant, and a UC Presidential Fellowship.

  20. Using 1D2D Hydrodynamic Modeling to Inform Restoration Planning in the Atchafalaya River Basin, Louisiana

    NASA Astrophysics Data System (ADS)

    Hayden-Lesmeister, A.; Remo, J. W.; Piazza, B.

    2015-12-01

    The Atchafalaya River (AR) in Louisiana is the principal distributary of the Mississippi River (MR), and its basin contains the largest contiguous area of baldcypress-water tupelo swamp forests in North America. After designation of the Atchafalaya River Basin (ARB) as a federal floodway following the destructive 1927 MR flood, it was extensively modified to accommodate a substantial portion of the MR flow (~25%) to mitigate flooding in southern Louisiana. These modifications and increased flows resulted in substantial incision along large portions of the AR, altering connectivity between the river and its associated waterbodies. As a result of incision, the hydroperiod has been substantially altered, which has contributed to a decline in ecological health of the ARB's baldcypress-water tupelo forests. While it is recognized that the altered hydroperiod has negatively affected natural baldcypress regeneration, it is unclear whether proposed projects designed to enhance flow connectivity will increase long-term survival of these forests. In this study, we have constructed a 1D2D hydrodynamic model using SOBEK 2.12 to realistically model key physical parameters such as residence times, inundation extent, water-surface elevations (WSELs), and flow velocities to increase our understanding of the ARB's altered hydroperiod and the consequences for baldcypress-water tupelo forests. While the model encompasses a majority of the ARB, our modeling effort is focused on the Flat Lake Water Management Unit located in the southern portion of the ARB, where it will also be used to evaluate flow connectivity enhancement projects within the management unit. We believe our 1D2D hybrid hydraulic modeling approach will provide the flexibility and accuracy needed to guide connectivity enhancement efforts in the ARB and may provide a model framework for guiding similar efforts along other highly-altered river systems.

  1. Evidence for an increase in the ozone photochemical lifetime in the eastern United States using a regional air quality model

    NASA Astrophysics Data System (ADS)

    Goldberg, Daniel L.; Vinciguerra, Timothy P.; Hosley, Kyle M.; Loughner, Christopher P.; Canty, Timothy P.; Salawitch, Ross J.; Dickerson, Russell R.

    2015-12-01

    Measures to control surface ozone rely on quantifying production attributable to local versus regional (upwind) emissions. Here we simulate the relative contribution of local (i.e., within a particular state) and regional sources of surface ozone in the eastern United States (66-94°W longitude) for July 2002, 2011, and 2018 using the Comprehensive Air-quality Model with Extensions (CAMx). To determine how emissions and chemistry within the domain affect the production, loss, lifetime, and transport of trace gases, we initialize our model with identical boundary conditions in each simulation. We find that the photochemical lifetime of ozone has increased as emissions have decreased. The contribution of ozone from outside the domain (boundary condition ozone, BCO3) to local surface mixing ratios increases in an absolute sense by 1-2 ppbv between 2002 and 2018 due to the longer lifetime of ozone. The photochemical lifetime of ozone lengthens because the two primary gas phase sinks for odd oxygen (Ox ≈ NO2 + O3)—attack by hydroperoxyl radicals (HO2) on ozone and formation of nitrate—weaken with decreasing pollutant emissions. The relative role of BCO3 will also increase. For example, BCO3 represents 34.5%, 38.8%, and 43.6% of surface ozone in the Baltimore, MD, region during July 2002, 2011, and 2018 means, respectively. This unintended consequence of air quality regulation impacts attainment of the National Ambient Air Quality Standard for surface ozone because the spatial and temporal scales of photochemical smog increase; the influence of pollutants transported between states and into the eastern U.S. will likely play a greater role in the future.

  2. A box model study on photochemical interactions between VOCs and reactive halogen species in the marine boundary layer

    NASA Astrophysics Data System (ADS)

    Toyota, K.; Kanaya, Y.; Takahashi, M.; Akimoto, H.

    2003-09-01

    A new chemical scheme is developed for the multiphase photochemical box model SEAMAC (size-SEgregated Aerosol model for Marine Air Chemistry) to investigate photochemical interactions between volatile organic compounds (VOCs) and reactive halogen species in the marine boundary layer (MBL). Based primarily on critically evaluated kinetic and photochemical rate parameters as well as a protocol for chemical mechanism development, the new scheme has achieved a near-explicit treatment of oxidative degradation of up to C3-hydrocarbons CH4, C2H6, C3H8, C2H4, C3H6, and C2H2) initiated by reactions with OH radicals, Cl- and Br-atoms, and O3. Rate constants and product yields for reactions involving halogen species are taken from the literature where available, but the majority of them need to be estimated. In particular, addition reactions of halogen atoms with alkenes will result in the formation of halogenated organic intermediates, whose photochemical loss rates are carefully evaluated in the present work. Model calculations with the new chemical scheme reveal that the oceanic emissions of acetaldehyde (CH3CHO) and alkenes (especially C3H6) are important factors for regulating reactive halogen chemistry in the MBL by promoting the conversion of Br atoms into HBr or more stable brominated intermediates in the organic form. The latter include brominated hydroperoxides, bromoacetaldehyde, and bromoacetone, which sequester bromine from reactive inorganic pool. The total mixing ratio of brominated organic species thus produced is likely to reach 10-20% or more of that of inorganic gaseous bromine species over wide regions over the ocean. On the other hand, the reaction between Br atoms and C2H2 is unimportant for determining the degree of bromine activation in the remote MBL. It is suggested that peroxyacetic acid formed via CH3CHO oxidation is one of the important chemical agents for triggering autocatalytic halogen release from sea-salt aerosols. These results imply that

  3. A box model study on photochemical interactions between VOCs and reactive halogen species in the marine boundary layer

    NASA Astrophysics Data System (ADS)

    Toyota, K.; Kanaya, Y.; Takahashi, M.; Akimoto, H.

    2004-09-01

    A new chemical scheme is developed for the multiphase photochemical box model SEAMAC (size-SEgregated Aerosol model for Marine Air Chemistry) to investigate photochemical interactions between volatile organic compounds (VOCs) and reactive halogen species in the marine boundary layer (MBL). Based primarily on critically evaluated kinetic and photochemical rate parameters as well as a protocol for chemical mechanism development, the new scheme has achieved a near-explicit description of oxidative degradation of up to C3-hydrocarbons (CH4, C2H6, C3H8, C2H4, C3H6, and C2H2) initiated by reactions with OH radicals, Cl- and Br-atoms, and O3. Rate constants and product yields for reactions involving halogen species are taken from the literature where available, but the majority of them need to be estimated. In particular, addition reactions of halogen atoms with alkenes will result in forming halogenated organic intermediates, whose photochemical loss rates are carefully evaluated in the present work. Model calculations with the new chemical scheme reveal that the oceanic emissions of acetaldehyde (CH3CHO) and alkenes (especially C3H6) are important factors for regulating reactive halogen chemistry in the MBL by promoting the conversion of Br atoms into HBr or more stable brominated intermediates in the organic form. The latter include brominated hydroperoxides, bromoacetaldehyde, and bromoacetone, which sequester bromine from a reactive inorganic pool. The total mixing ratio of brominated organic species thus produced is likely to reach 10-20% or more of that of inorganic gaseous bromine species over wide regions over the ocean. The reaction between Br atoms and C2H2 is shown to be unimportant for determining the degree of bromine activation in the remote MBL. These results imply that reactive halogen chemistry can mediate a link between the oceanic emissions of VOCs and the behaviors of compounds that are sensitive to halogen chemistry such as dimethyl sulfide, NOx, and

  4. Determinants of modelling choices for 1-D free-surface flow and erosion issues in hydrology: a review

    NASA Astrophysics Data System (ADS)

    Cheviron, B.; Moussa, R.

    2015-09-01

    This review paper investigates the determinants of modelling choices, for numerous applications of 1-D free-surface flow and erosion equations, across multiple spatiotemporal scales. We aim to characterize each case study by its signature composed of model refinement (Navier-Stokes: NS, Reynolds-Averaged Navier-Stokes: RANS, Saint-Venant: SV or Approximations of Saint-Venant: ASV), spatiotemporal scales (domain length: L from 1 cm to 1000 km; temporal scale: T from 1 second to 1 year; flow depth: H from 1 mm to 10 m), flow typology (Overland: O, High gradient: Hg, Bedforms: B, Fluvial: F) and dimensionless numbers (Dimensionless time period T*, Reynolds number Re, Froude number Fr, Slope S, Inundation ratio Λz, Shields number θ). The determinants of modelling choices are therefore sought in the interplay between flow characteristics, cross-scale and scale-independent views. The influence of spatiotemporal scales on modelling choices is first quantified through the expected correlation between increasing scales and decreasing model refinements, identifying then flow typology a secondary but mattering determinant in the choice of model refinement. This finding is confirmed by the discriminating values of several dimensionless numbers, that prove preferential associations between model refinements and flow typologies. This review is intended to help each modeller positioning his (her) choices with respect to the most frequent practices, within a generic, normative procedure possibly enriched by the community for a larger, comprehensive and updated image of modelling strategies.

  5. Photochemical modeling of H2O in Titan's atmosphere constrained by Herschel Observations

    NASA Astrophysics Data System (ADS)

    Lara, L. M.; Lellouch, E.; Moreno, R.; Courtin, R.; Hartogh, P.; Rengel, M.

    2012-04-01

    As a species subject to photolytic, chemical and condensation losses, H2O present in Titan's stratosphere must be of external origin. The discovery of CO2 by Voyager (Samuelson et al. 1981) pointed to an external supply of oxygen to Titan's atmosphere. Indeed, CO2, which also condenses, was recognized to be formed via CO+OH, where OH was likely produced by H2O photolysis. This view was supported by the ground-based discovery of CO (Lutz et al. 1983) and subsequent measurements confirming an abundance of ~50 ppm. The source of CO itself remained elusive, but inspired by the Cassini/CAPS discovery of a O+ influx rate (Hartle et al. 2006), Hörst et al. (2008) showed that an external source of O or O+ leads to the formation of CO, also pointing to the likely external origin of this compound. The most up-to-date model of Titan's oxygen chemistry by Hörst et al. (2008) adjusted the OH/H2O deposition rate as a function of the eddy diffusion coefficient below 200 km to match the observed CO2 mixing ratio (15 ppb, uniform over 100-200 km), and producing a H2O profile that was deemed consistent with ISO/SWS measurement of the H2O abundance at a nominal altitude of 400 km (Coustenis et al. 1998). Therefore, the Hörst et al. (2008) study provided an apparently self-consistent picture of the origin of oxygen compounds in Titan's atmosphere, with the three main species (CO, CO2 and H2O) being produced from a permanent external supply of oxygen in two distinct forms. However, recent measurements of several H2O lines by the HIFI and PACS instruments (Herschel Space Observatory) have shown that none of the H2O profiles calculated in Hörst et al. (2008) reproduces the observed lines (Moreno et al., this workshop), and neither does the Lara et al. (1996) H2O profile. Here we revisit the Lara et al. (1996) photochemical model by including (i) an updated eddy diffusion coefficient profile (K(z)), constrained by the C2H6 vertical distribution (ii) an adjustable O+/OH/H2O influx. Our

  6. Assessment of phenol infiltration resilience in soil media by HYDRUS-1D transport model for a waste discharge site.

    PubMed

    Adhikari, K; Pal, S; Chakraborty, B; Mukherjee, S N; Gangopadhyay, A

    2014-10-01

    The movement of contaminants through soil imparts a variety of geo-environmental problem inclusive of lithospheric pollution. Near-surface aquifers are often vulnerable to contamination from surface source if overlying soil possesses poor resilience or contaminant attenuation capacity. The prediction of contaminant transport through soil is urged to protect groundwater from sources of pollutants. Using field simulation through column experiments and mathematical modeling like HYDRUS-1D, assessment of soil resilience and movement of contaminants through the subsurface to reach aquifers can be predicted. An outfall site of effluents of a coke oven plant comprising of alarming concentration of phenol (4-12.2 mg/L) have been considered for studying groundwater condition and quality, in situ soil characterization, and effluent characterization. Hydrogeological feature suggests the presence of near-surface aquifers at the effluent discharge site. Analysis of groundwater of nearby locality reveals the phenol concentration (0.11-0.75 mg/L) exceeded the prescribed limit of WHO specification (0.002 mg/L). The in situ soil, used in column experiment, possess higher saturated hydraulic conductivity (KS  = 5.25 × 10(-4) cm/s). The soil containing 47 % silt, 11 % clay, and 1.54% organic carbon content was found to be a poor absorber of phenol (24 mg/kg). The linear phenol adsorption isotherm model showed the best fit (R(2) = 0.977, RMSE = 1.057) to the test results. Column experiments revealed that the phenol removal percent and the length of the mass transfer zone increased with increasing bed heights. The overall phenol adsorption efficiency was found to be 42-49%. Breakthrough curves (BTCs) predicted by HYDRUS-1D model appears to be close fitting with the BTCs derived from the column experiments. The phenol BTC predicted by the HYDRUS-1D model for 1.2 m depth subsurface soil, i.e., up to the depth of groundwater in the study area, showed that the exhaustion

  7. Assessment of phenol infiltration resilience in soil media by HYDRUS-1D transport model for a waste discharge site.

    PubMed

    Adhikari, K; Pal, S; Chakraborty, B; Mukherjee, S N; Gangopadhyay, A

    2014-10-01

    The movement of contaminants through soil imparts a variety of geo-environmental problem inclusive of lithospheric pollution. Near-surface aquifers are often vulnerable to contamination from surface source if overlying soil possesses poor resilience or contaminant attenuation capacity. The prediction of contaminant transport through soil is urged to protect groundwater from sources of pollutants. Using field simulation through column experiments and mathematical modeling like HYDRUS-1D, assessment of soil resilience and movement of contaminants through the subsurface to reach aquifers can be predicted. An outfall site of effluents of a coke oven plant comprising of alarming concentration of phenol (4-12.2 mg/L) have been considered for studying groundwater condition and quality, in situ soil characterization, and effluent characterization. Hydrogeological feature suggests the presence of near-surface aquifers at the effluent discharge site. Analysis of groundwater of nearby locality reveals the phenol concentration (0.11-0.75 mg/L) exceeded the prescribed limit of WHO specification (0.002 mg/L). The in situ soil, used in column experiment, possess higher saturated hydraulic conductivity (KS  = 5.25 × 10(-4) cm/s). The soil containing 47 % silt, 11 % clay, and 1.54% organic carbon content was found to be a poor absorber of phenol (24 mg/kg). The linear phenol adsorption isotherm model showed the best fit (R(2) = 0.977, RMSE = 1.057) to the test results. Column experiments revealed that the phenol removal percent and the length of the mass transfer zone increased with increasing bed heights. The overall phenol adsorption efficiency was found to be 42-49%. Breakthrough curves (BTCs) predicted by HYDRUS-1D model appears to be close fitting with the BTCs derived from the column experiments. The phenol BTC predicted by the HYDRUS-1D model for 1.2 m depth subsurface soil, i.e., up to the depth of groundwater in the study area, showed that the exhaustion

  8. Entanglement Entropy and Mutual Information of Circular Entangling Surfaces in 2+1d Quantum Lifshitz Model

    NASA Astrophysics Data System (ADS)

    Zhou, Tianci; Chen, Xiao; Fradkin, Eduardo

    We investigate the entanglement entropy(EE) of circular entangling surfaces in the 2+1d quantum Lifshitz model, where the spatially conformal invariant ground state is a Rokhsar-Kivelson state with Gibbs weight of 2d free Boson. We use cut-off independent mutual information regulator to define and calculate the subleading correction in the EE. The subtlety due to the Boson compactification in the replica trick is carefully taken care of. Our results show that for circular entangling surface, the subleading term is a constant on both the sphere of arbitrary radius and infinite plane. For the latter case, it parallels the constancy of disk EE in 2+1d conformal field theory, despite the lack of full space time conformal invariance. In the end, we present the mutual information of two disjoint disks and compare its scaling function in the small parameter regime (radii much smaller than their separation) with Cardy's general CFT results. This work was supported in part by the National Science Foundation Grants NSF-DMR-13-06011(TZ) and DMR-1408713 (XC, EF).

  9. Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties.

    PubMed

    García-Iriepa, Cristina; Ernst, Hanna A; Liang, Yu; Unterreiner, Andreas-Neil; Frutos, Luis Manuel; Sampedro, Diego

    2016-08-01

    Bilin chromophores and bilirubin are involved in relevant biological functions such as light perception in plants and as protective agents against Alzheimer and other diseases. Despite their extensive use, a deep rationalization of the main factors controlling the thermal and photochemical properties has not been performed yet, which in turn hampers further applications of these versatile molecules. In an effort to understand those factors and allow control of the relevant properties, a combined experimental and computational study has been carried out for diverse model systems to understand the interconversion between Z and E isomers. In this study, we have demonstrated the crucial role of steric hindrance and hydrogen-bond interactions in thermal stability and the ability to control them by designing novel compounds. We also determined several photochemical properties and studied the photodynamics of two model systems in more detail, observing a fast relaxation of the excited state shorter than 2 ps in both cases. Finally, the computational study allowed us to rationalize the experimental evidence. PMID:27391671

  10. Geometric and frequency EMI sounding of estuarine earthen flood defence embankments in Ireland using 1D inversion models

    NASA Astrophysics Data System (ADS)

    Viganotti, Matteo; Jackson, Ruth; Krahn, Hartmut; Dyer, Mark

    2013-05-01

    Earthen flood defence embankments are linear structures, raised above the flood plain, that are commonly used as flood defences in rural settings; these are often relatively old structures constructed using locally garnered material and of which little is known in terms of design and construction. Alarmingly, it is generally reported that a number of urban developments have expanded to previously rural areas; hence, acquiring knowledge about the flood defences protecting these areas has risen significantly in the agendas of basin and asset managers. This paper focusses, by reporting two case studies, on electromagnetic induction (EMI) methods that would efficiently complement routine visual inspections and would represent a first step to more detailed investigations. Evaluation of the results is presented by comparison with ERT profiles and intrusive investigation data. The EM data, acquired using a GEM-2 apparatus for frequency sounding and an EM-31 apparatus for geometrical sounding, has been handled using the prototype eGMS software tool, being developed by the eGMS international research consortium; the depth sounding data interpretation was assisted by 1D inversions obtained with the EM1DFM software developed by the University of British Columbia. Although both sounding methods showed some limitations, the models obtained were consistent with ERT models and the techniques were useful screening methods for the identification of areas of interest, such as material interfaces or potential seepage areas, within the embankment structure: 1D modelling improved the rapid assessment of earthen flood defence embankments in an estuarine environment; evidence that EMI sounding could play an important role as a monitoring tool or as a first step towards more detailed investigations.

  11. Determinants of modelling choices for 1-D free-surface flow and morphodynamics in hydrology and hydraulics: a review

    NASA Astrophysics Data System (ADS)

    Cheviron, Bruno; Moussa, Roger

    2016-09-01

    This review paper investigates the determinants of modelling choices, for numerous applications of 1-D free-surface flow and morphodynamic equations in hydrology and hydraulics, across multiple spatiotemporal scales. We aim to characterize each case study by its signature composed of model refinement (Navier-Stokes: NS; Reynolds-averaged Navier-Stokes: RANS; Saint-Venant: SV; or approximations to Saint-Venant: ASV), spatiotemporal scales and subscales (domain length: L from 1 cm to 1000 km; temporal scale: T from 1 s to 1 year; flow depth: H from 1 mm to 10 m; spatial step for modelling: δL; temporal step: δT), flow typology (Overland: O; High gradient: Hg; Bedforms: B; Fluvial: F), and dimensionless numbers (dimensionless time period T*, Reynolds number Re, Froude number Fr, slope S, inundation ratio Λz, Shields number θ). The determinants of modelling choices are therefore sought in the interplay between flow characteristics and cross-scale and scale-independent views. The influence of spatiotemporal scales on modelling choices is first quantified through the expected correlation between increasing scales and decreasing model refinements (though modelling objectives also show through the chosen spatial and temporal subscales). Then flow typology appears a secondary but important determinant in the choice of model refinement. This finding is confirmed by the discriminating values of several dimensionless numbers, which prove preferential associations between model refinements and flow typologies. This review is intended to help modellers in positioning their choices with respect to the most frequent practices, within a generic, normative procedure possibly enriched by the community for a larger, comprehensive and updated image of modelling strategies.

  12. Giant Fluctuations of Local Magnetoresistance of Organic Spin Valves and the Non-Hermitian 1D Anderson Model

    NASA Astrophysics Data System (ADS)

    Roundy, R. C.; Nemirovsky, D.; Kagalovsky, V.; Raikh, M. E.

    2014-06-01

    Motivated by recent experiments, where the tunnel magnetoresitance (TMR) of a spin valve was measured locally, we theoretically study the distribution of TMR along the surface of magnetized electrodes. We show that, even in the absence of interfacial effects (like hybridization due to donor and acceptor molecules), this distribution is very broad, and the portion of area with negative TMR is appreciable even if on average the TMR is positive. The origin of the local sign reversal is quantum interference of subsequent spin-rotation amplitudes in the course of incoherent transport of carriers between the source and the drain. We find the distribution of local TMR exactly by drawing upon formal similarity between evolution of spinors in time and of the reflection coefficient along a 1D chain in the Anderson model. The results obtained are confirmed by the numerical simulations.

  13. Giant fluctuations of local magnetoresistance of organic spin valves and the non-Hermitian 1D Anderson model.

    PubMed

    Roundy, R C; Nemirovsky, D; Kagalovsky, V; Raikh, M E

    2014-06-01

    Motivated by recent experiments, where the tunnel magnetoresitance (TMR) of a spin valve was measured locally, we theoretically study the distribution of TMR along the surface of magnetized electrodes. We show that, even in the absence of interfacial effects (like hybridization due to donor and acceptor molecules), this distribution is very broad, and the portion of area with negative TMR is appreciable even if on average the TMR is positive. The origin of the local sign reversal is quantum interference of subsequent spin-rotation amplitudes in the course of incoherent transport of carriers between the source and the drain. We find the distribution of local TMR exactly by drawing upon formal similarity between evolution of spinors in time and of the reflection coefficient along a 1D chain in the Anderson model. The results obtained are confirmed by the numerical simulations. PMID:24949781

  14. Results of photochemical modeling sensitivity analyses in the Lake Michigan region: Current status of Lake Michigan Ozone Control Program (LMOP) modeling

    SciTech Connect

    Dolwick, P.D.; Kaleel, R.J.; Majewski, M.A.

    1994-12-31

    The four states that border Lake Michigan are cooperatively applying a state-of-the-art nested photochemical grid model to assess the effects of potential emission control strategies on reducing elevated tropospheric ozone concentrations in the region to levels below the national ambient air quality standard. In order to provide an extensive database to support the application of the photochemical model, a substantial data collection effort known as the Lake Michigan Ozone Study (LMOS) was completed during the summer of 1991. The Lake Michigan Ozone Control Program (LMOP) was established by the States of Illinois, Wisconsin, Michigan, and Indiana to carry out the application of the modeling system developed from the LMOS, in terms of developing the attainment demonstrations required from this area by the Clean Air Act Amendments of 1990.

  15. Modelling photochemical pollutants in a deep urban street canyon: Application of a coupled two-box model approximation

    NASA Astrophysics Data System (ADS)

    Zhong, Jian; Cai, Xiao-Ming; Bloss, William James

    2016-10-01

    Air pollution associated with road transport is a major environmental issue in urban areas. Buildings in urban areas are the artificial obstacles to atmospheric flow and cause reduced ventilation for street canyons. For a deep street canyon, there is evidence of the formation of multiple segregated vortices, which generate flow regimes such that pollutants exhibit a significant contrast between these vortices. This results in poor air ventilation conditions at pedestrian level, thereby leading to elevated pollutant levels and potential breaches of air quality limits. The hypothesis of a well-mixed deep street canyon in the practical one-box model approach is shown to be inappropriate. This study implements a simplified simulation of the canyon volume: a coupled two-box model with a reduced chemical scheme to represent the key photochemical processes with timescales similar to and smaller than the turbulent mixing timescale. The two-box model captures the significant pollutant contrast between the lower and upper parts of a deep street canyon, particularly for NO2. Core important parameters (i.e. heterogeneity coefficient, exchange velocity and box height ratio) in the two-box model approach were investigated through sensitivity tests. The two-box model results identify the emission regimes and the meteorological conditions under which NO2 in the lower canyon (i.e. the region of interest for the assessment of human health effects) is in breach of air quality standards. Higher NO2 levels were observed for the cases with higher heterogeneity coefficients (the two boxes are more segregated), with lower exchange velocities (worse ventilation conditions), or with smaller box height ratios (reduced dilution possibly due to secondary smaller eddies in the lower canyon). The performance of a one-box model using the same chemical scheme is also evaluated against the two-box model. The one-box model was found to systematically underestimate NO2 levels compared with those in

  16. Calibration of a 1D Crustal Velocity and Q Model for Ground Motion Simulations in Central and Eastern US

    NASA Astrophysics Data System (ADS)

    Graves, R. W.

    2012-12-01

    I have performed low frequency (f < 1 Hz) ground motion simulations for the 2008 Mw 5.23 Mt. Carmel, Illinois and 2011 Mw 5.74 Mineral, Virginia earthquakes to calibrate a rock-site 1D crustal velocity and Q structure model for central and eastern US (CEUS). For each earthquake, the observed ground motions were simulated at sites extending out to about 900 km from the epicenter. Sites within the Mississippi embayment are not included in the modeling. The initial 1D velocity model was developed by averaging profiles extracted from the CUS V1.3 3D velocity model (Ramirez-Guzman et al, 2012) at each of the recording sites, with the surface shear wave velocity set at 2200 m/s. The Mt. Carmel earthquake is represented as a point double couple (strike=25, dip=90, rake=-175) at a depth of 14 km and a slip-rate function having a Brune corner frequency of 0.89 Hz (Hartzell and Mendoza, 2011). The Mineral earthquake is represented as a point double couple (strike=26, dip=55, rake=108) at a depth of 6 km and a slip-rate function having a corner frequency of 0.50 Hz. Full waveform Green's functions were computed using the FK method of Zhu and Rivera (2002). The initial model does well at reproducing the median level of observed response spectral acceleration (Sa) for most sites out to 300 km at periods of 2 to 5 sec, including the observed flattening in distance attenuation between 70 and 150 km. However, this model under predicts the motions beyond about 400 km distance. Increasing Q in the mid- and lower crust from the original value of 700 to 5000 removes this under prediction of the larger distance motions. Modified Mercalli Intensity (MMI) estimates have been computed from the simulations using the ground motion-intensity conversion equations of Atkinson and Kaka (2007; AK2007) and Dangkua and Cramer (2011; DC2011-ENA) for comparison against the observed "Did You Feel It" intensity estimates. Given the bandwidth limitations of the simulations, I use the conversion

  17. Photochemical modeling in California with two chemical mechanisms: model intercomparison and response to emission reductions.

    PubMed

    Cai, Chenxia; Kelly, James T; Avise, Jeremy C; Kaduwela, Ajith P; Stockwell, William R

    2011-05-01

    An updated version of the Statewide Air Pollution Research Center (SAPRC) chemical mechanism (SAPRC07C) was implemented into the Community Multiscale Air Quality (CMAQ) version 4.6. CMAQ simulations using SAPRC07C and the previously released version, SAPRC99, were performed and compared for an episode during July-August, 2000. Ozone (O3) predictions of the SAPRC07C simulation are generally lower than those of the SAPRC99 simulation in the key areas of central and southern California, especially in areas where modeled concentrations are greater than the federal 8-hr O3 standard of 75 parts per billion (ppb) and/or when the volatile organic compound (VOC)/nitrogen oxides (NOx) ratio is less than 13. The relative changes of ozone production efficiency (OPE) against the VOC/NOx ratio at 46 sites indicate that the OPE is reduced in SAPRC07C compared with SAPRC99 at most sites by as much as approximately 22%. The SAPRC99 and SAPRC07C mechanisms respond similarly to 20% reductions in anthropogenic VOC emissions. The response of the mechanisms to 20% NOx emissions reductions can be grouped into three cases. In case 1, in which both mechanisms show a decrease in daily maximum 8-hr O3 concentration with decreasing NOx emissions, the O3 decrease in SAPRC07C is smaller. In case 2, in which both mechanisms show an increase in O3 with decreasing NOx emissions, the O3 increase is larger in SAPRC07C. In case 3, SAPRC07C simulates an increase in O3 in response to reduced NOx emissions whereas SAPRC99 simulates a decrease in O3 for the same region. As a result, the areas where NOx controls would be disbeneficial are spatially expanded in SAPRC07C. Although the results presented here are valuable for understanding differences in predictions and model response for SAPRC99 and SAPRC07C, the study did not evaluate the impact of mechanism differences in the context of the U.S. Environmental Protection Agency's guidance for using numerical models in demonstrating air quality attainment

  18. Photochemical modeling in California with two chemical mechanisms: model intercomparison and response to emission reductions.

    PubMed

    Cai, Chenxia; Kelly, James T; Avise, Jeremy C; Kaduwela, Ajith P; Stockwell, William R

    2011-05-01

    An updated version of the Statewide Air Pollution Research Center (SAPRC) chemical mechanism (SAPRC07C) was implemented into the Community Multiscale Air Quality (CMAQ) version 4.6. CMAQ simulations using SAPRC07C and the previously released version, SAPRC99, were performed and compared for an episode during July-August, 2000. Ozone (O3) predictions of the SAPRC07C simulation are generally lower than those of the SAPRC99 simulation in the key areas of central and southern California, especially in areas where modeled concentrations are greater than the federal 8-hr O3 standard of 75 parts per billion (ppb) and/or when the volatile organic compound (VOC)/nitrogen oxides (NOx) ratio is less than 13. The relative changes of ozone production efficiency (OPE) against the VOC/NOx ratio at 46 sites indicate that the OPE is reduced in SAPRC07C compared with SAPRC99 at most sites by as much as approximately 22%. The SAPRC99 and SAPRC07C mechanisms respond similarly to 20% reductions in anthropogenic VOC emissions. The response of the mechanisms to 20% NOx emissions reductions can be grouped into three cases. In case 1, in which both mechanisms show a decrease in daily maximum 8-hr O3 concentration with decreasing NOx emissions, the O3 decrease in SAPRC07C is smaller. In case 2, in which both mechanisms show an increase in O3 with decreasing NOx emissions, the O3 increase is larger in SAPRC07C. In case 3, SAPRC07C simulates an increase in O3 in response to reduced NOx emissions whereas SAPRC99 simulates a decrease in O3 for the same region. As a result, the areas where NOx controls would be disbeneficial are spatially expanded in SAPRC07C. Although the results presented here are valuable for understanding differences in predictions and model response for SAPRC99 and SAPRC07C, the study did not evaluate the impact of mechanism differences in the context of the U.S. Environmental Protection Agency's guidance for using numerical models in demonstrating air quality attainment

  19. 2D photochemical modeling of Saturn's stratosphere. Part I: Seasonal variation of atmospheric composition without meridional transport

    NASA Astrophysics Data System (ADS)

    Hue, V.; Cavalié, T.; Dobrijevic, M.; Hersant, F.; Greathouse, T. K.

    2015-09-01

    Saturn's axial tilt of 26.7° produces seasons in a similar way as on Earth. Both the stratospheric temperature and composition are affected by this latitudinally varying insolation along Saturn's orbital path. A new time-dependent 2D photochemical model is presented to study the seasonal evolution of Saturn's stratospheric composition. This study focuses on the impact of the seasonally variable thermal field on the main stratospheric C2-hydrocarbon chemistry (C2H2 and C2H6) using a realistic radiative climate model. Meridional mixing and advective processes are implemented in the model but turned off in the present study for the sake of simplicity. The results are compared to a simple study case where a latitudinally and temporally steady thermal field is assumed. Our simulations suggest that, when the seasonally variable thermal field is accounted for, the downward diffusion of the seasonally produced hydrocarbons is faster due to the seasonal compression of the atmospheric column during winter. This effect increases with increasing latitudes which experience the most important thermal changes in the course of the seasons. The seasonal variability of C2H2 and C2H6 therefore persists at higher-pressure levels with a seasonally-variable thermal field. Cassini limb-observations of C2H2 and C2H6 (Guerlet, S. et al. [2009]. Icarus 203, 214-232) are reasonably well-reproduced from the equator to 40° in both hemispheres in the 0.1-1 mbar pressure range. At lower pressure levels, the models only fit the Cassini observations in the northern hemisphere, from the equator to 40°N. Beyond 40° in both hemispheres, deviations from the pure photochemical predictions, mostly in the southern hemisphere, suggest the presence of large-scale stratospheric dynamics.

  20. A Generic 1D Forward Modeling and Inversion Algorithm for TEM Sounding with an Arbitrary Horizontal Loop

    NASA Astrophysics Data System (ADS)

    Li, Zhanhui; Huang, Qinghua; Xie, Xingbing; Tang, Xingong; Chang, Liao

    2016-08-01

    We present a generic 1D forward modeling and inversion algorithm for transient electromagnetic (TEM) data with an arbitrary horizontal transmitting loop and receivers at any depth in a layered earth. Both the Hankel and sine transforms required in the forward algorithm are calculated using the filter method. The adjoint-equation method is used to derive the formulation of data sensitivity at any depth in non-permeable media. The inversion algorithm based on this forward modeling algorithm and sensitivity formulation is developed using the Gauss-Newton iteration method combined with the Tikhonov regularization. We propose a new data-weighting method to minimize the initial model dependence that enhances the convergence stability. On a laptop with a CPU of i7-5700HQ@3.5 GHz, the inversion iteration of a 200 layered input model with a single receiver takes only 0.34 s, while it increases to only 0.53 s for the data from four receivers at a same depth. For the case of four receivers at different depths, the inversion iteration runtime increases to 1.3 s. Modeling the data with an irregular loop and an equal-area square loop indicates that the effect of the loop geometry is significant at early times and vanishes gradually along the diffusion of TEM field. For a stratified earth, inversion of data from more than one receiver is useful in noise reducing to get a more credible layered earth. However, for a resistive layer shielded below a conductive layer, increasing the number of receivers on the ground does not have significant improvement in recovering the resistive layer. Even with a down-hole TEM sounding, the shielded resistive layer cannot be recovered if all receivers are above the shielded resistive layer. However, our modeling demonstrates remarkable improvement in detecting the resistive layer with receivers in or under this layer.

  1. Photochemical modeling of the Antarctic stratosphere: Observational constraints from the airborne Antarctic ozone experiment and implications for ozone behavior

    NASA Technical Reports Server (NTRS)

    Rodriguez, Jose M.; Sze, Nien-Dak; Ko, Malcolm K. W.

    1988-01-01

    The rapid decrease in O3 column densities observed during Antarctic spring has been attributed to several chemical mechanisms involving nitrogen, bromine, or chlorine species, to dynamical mechanisms, or to a combination of the above. Chlorine-related theories, in particular, predict greatly elevated concentrations of ClO and OClO and suppressed abundances of NO2 below 22 km. The heterogeneous reactions and phase transitions proposed by these theories could also impact the concentrations of HCl, ClNO3 and HNO3 in this region. Observations of the above species have been carried out from the ground by the National Ozone Expedition (NOZE-I, 1986, and NOZE-II, 1987), and from aircrafts by the Airborne Antarctic Ozone Experiment (AAOE) during the austral spring of 1987. Observations of aerosol concentrations, size distribution and backscattering ratio from AAOE, and of aerosol extinction coefficients from the SAM-II satellite can also be used to deduce the altitude and temporal behavior of surfaces which catalyze heterogeneous mechanisms. All these observations provide important constraints on the photochemical processes suggested for the spring Antarctic stratosphere. Results are presented for the concentrations and time development of key trace gases in the Antarctic stratosphere, utilizing the AER photochemical model. This model includes complete gas-phase photochemistry, as well as heterogeneous reactions. Heterogeneous chemistry is parameterized in terms of surface concentrations of aerosols, collision frequencies between gas molecules and aerosol surfaces, concentrations of HCl/H2O in the frozen particles, and probability of reaction per collision (gamma). Values of gamma are taken from the latest laboratory measurements. The heterogeneous chemistry and phase transitions are assumed to occur between 12 and 22 km. The behavior of trace species at higher altitudes is calculated by the AER 2-D model without heterogeneous chemistry. Calculations are performed for

  2. Scale up tools in reactive extrusion and compounding processes. Could 1D-computer modeling be helpful?

    NASA Astrophysics Data System (ADS)

    Pradel, J.-L.; David, C.; Quinebèche, S.; Blondel, P.

    2014-05-01

    Industrial scale-up (or scale down) in Compounding and Reactive Extrusion processes is one of the most critical R&D challenges. Indeed, most of High Performances Polymers are obtained within a reactive compounding involving chemistry: free radical grafting, in situ compatibilization, rheology control... but also side reactions: oxidation, branching, chain scission... As described by basic Arrhenius and kinetics laws, the competition between all chemical reactions depends on residence time distribution and temperature. Then, to ensure the best possible scale up methodology, we need tools to match thermal history of the formulation along the screws from a lab scale twin screw extruder to an industrial one. This paper proposes a comparison between standard scale-up laws and the use of Computer modeling Software such as Ludovic® applied and compared to experimental data. Scaling data from a compounding line to another one, applying general rules (for example at constant specific mechanical energy), shows differences between experimental and computed data, and error depends on the screw speed range. For more accurate prediction, 1D-Computer Modeling could be used to optimize the process conditions to ensure the best scale-up product, especially in temperature sensitive reactive extrusion processes. When the product temperature along the screws is the key, Ludovic® software could help to compute the temperature profile along the screws and extrapolate conditions, even screw profile, on industrial extruders.

  3. Non-linear gravitational clustering of cold matter in an expanding universe: indications from 1D toy models

    NASA Astrophysics Data System (ADS)

    Joyce, Michael; Sicard, François

    2011-05-01

    Studies of a class of infinite 1D self-gravitating systems have highlighted that, on one hand, the spatial clustering which develops may have scale-invariant (fractal) properties and, on the other hand, they display ‘self-similar’ properties in their temporal evolution. The relevance of these results to 3D cosmological simulations has remained unclear. We show here that the measured exponents characterizing the scale-invariant non-linear clustering are in excellent agreement with those derived from an appropriately generalized ‘stable-clustering’ hypothesis. Further an analysis in terms of ‘haloes’ selected with a friend-of-friend algorithm reveals that such structures are, statistically, virialized across the range of scales corresponding to scale invariance. Thus the strongly non-linear clustering in these models is accurately described as a virialized fractal structure, very much in line with the ‘clustering hierarchy’ which Peebles originally envisaged qualitatively as associated with stable clustering. If transposed to 3Ds these results would imply, notably, that cold dark matter haloes (or even subhaloes) are (1) not well modelled as smooth objects and (2) that the supposed ‘universality’ of their profiles is, like apparent smoothness, an artefact of poor numerical resolution.

  4. Interpretation of MSL REMS data using 1D coupled heat and water vapor transport model of Mars subsurface

    NASA Astrophysics Data System (ADS)

    Gloesener, Elodie; Karatekin, Özgür; Dehant, Véronique

    2016-04-01

    MSL Rover Environmental Monitoring Station (REMS) performed high-resolution measurements of temperature and relative humidity during more than one Martian year. In this work, a 1D subsurface model is used to study water vapor exchange between the atmosphere and the subsurface at Gale crater using REMS data. The thermal model used includes several layers of varying thickness with depth and properties that can be changed to correspond to those of Martian rocks at locations studied. It also includes the transport of water vapor through porous Martian regolith and the different phases considered are vapor, ice and adsorbed H2O. The total mass flux is given by the sum of diffusive and advective transport. The role of an adsorbing regolith on water transfer as well as the range of parameters with significant effect on water transport in Martian conditions are investigated. In addition, kinetics of the adsorption process is considered to examine its influence on the water vapor exchange between the subsurface and the atmosphere.

  5. A coupled physical, optical, and photochemical model of snow: relating measurements of specific surface area to snow optical properties.

    NASA Astrophysics Data System (ADS)

    Phillips, G.; Simpson, W. R.; Taillandier, A.; Domine, F.

    2004-12-01

    Recent experiments and modeling studies have shown that chemical processes in the snow pack have significant impacts on the chemistry of the atmosphere. Solar ultraviolet radiation penetrating the snow pack is the driving force for some of these chemical processes. Therefore, factors controlling photochemical processes in the snowpack need to be understood. Here, we present field investigations of the relationship between physical and optical properties of the snowpack and laboratory studies validating radiation models that predict photochemical reaction rates within the snowpack. A critical parameter in modeling snow photochemistry is the scattering coefficient for the snow. Steve Warren (University of Washington) proposed that the best physical measurement that correlates with scattering is the specific surface area (SSA); however, this correlation has not been tested to our knowledge. Therefore, we performed field experiments comparing optical measurements of scattering and the SSA. The measurement of the snow SSA was achieved by using the Brunauer-Emmett-Teller method to analyse CH4 adsorption onto snow samples. The optical determination of scattering in the snowpack used a variation of the method of Beaglehole. In this method, the light penetration of a snow sample was measured using decreasing thicknesses of the sample on a black base. In the thin layers, the scattering dominates the light attenuation within the snow. In the thicker layers both the absorption and scattering determine the light attenuation. Kubelka-Munk two-flux theory was used to model the data and calculate the scattering and absorption within the samples. This determination of the scattering was found to be proportional to the measured SSA. This linkage between SSA and optical properties confirms Warren`s hypothesis and allows the literatures of optical and physical properties of snow to be coupled. A laboratory study of the performance of snow radiation models was also carried out. A delta

  6. Catalysis of Photochemical Reactions.

    ERIC Educational Resources Information Center

    Albini, A.

    1986-01-01

    Offers a classification system of catalytic effects in photochemical reactions, contrasting characteristic properties of photochemical and thermal reactions. Discusses catalysis and sensitization, examples of catalyzed reactions of excepted states, complexing ground state substrates, and catalysis of primary photoproducts. (JM)

  7. Thermal characterization of large size lithium-ion pouch cell based on 1d electro-thermal model

    NASA Astrophysics Data System (ADS)

    Vertiz, G.; Oyarbide, M.; Macicior, H.; Miguel, O.; Cantero, I.; Fernandez de Arroiabe, P.; Ulacia, I.

    2014-12-01

    Thermal management is one of the key factors to keep lithium-ion cells in optimum electrical performance, under safe working conditions and into a reasonably low ageing process. This issue is becoming particularly relevant due to the heterogeneous heat generation along the cell. Cell working temperature is determined by ambient temperature, heat generation and evacuation capacity. Therefore, thermal management is established by: i) the intrinsic thermal properties (heat capacity & thermal conductivity) and ii) the heat generation electro-thermal parameters (internal resistance, open circuit voltage & entropic factor). In this research, different methods - calculated and experimental - are used to characterize the main heat properties of a 14Ah -LiFePO4/graphite-commercial large sizes pouch cell. In order to evaluate the accuracy of methods, two comparisons were performed. First, Newman heat generation estimations were compared with experimental heat measurements. Secondly, empirical thermal cell behaviour was match with 1D electro-thermal model response. Finally, considering the results, the most adequate methodology to evaluate the key thermal parameters of a large size Lithium-ion pouch cell are proposed to be: i) pulse method for internal resistance, ii)heat loss method for entropic factor; and iii)experimental measurement (ARC calorimeter and C-177-97 standard method) for heat capacity and thermal conductivity.

  8. Disparate effects of depletion of CD1d-reactive T cells during early versus late stages of disease in a genetically susceptible model of lupus.

    PubMed

    Jacinto, J; Kim, P J; Singh, R R

    2012-04-01

    Some T cells react with lipid antigens bound to antigen-presenting molecule CD1d. Numbers and functions of a subset of such lipid-reactive T cells are reduced in patients with systemic lupus erythematosus (SLE) and their relatives, as well as in genetically susceptible and chemically induced animal models of lupus-like disease. We have reported that the germline deletion of CD1d exacerbates lupus, suggesting a protective role of these cells in the development of lupus. The use of a knockout mouse model in this study, however, did not allow examination of the role of these cells at different stages of disease. Here, we describe an approach to deplete CD1d-dependent T cells, which allowed us to investigate the role of these cells at different stages of disease in genetically lupus-prone NZB/NZW F1 (BWF1) mice. Repeated intravenous injections of large numbers of CD1d-transfected cells resulted in ∼50-75% reduction in these cells, as defined by the expression of CD4, NK1.1 and CD122, and lack of expression of CD62 ligand. TCR γδ (+)NK1.1(+) cells were also reduced in the recipients of CD1d-transfected cells as compared with control recipients. Such depletion of CD1d-reactive T cells in preclinical BWF1 mice resulted in disease acceleration with a significant increase in proteinuria and mortality. In older BWF1 mice having advanced nephritis, however, such depletion of CD1d-reactive T cells resulted in some disease improvement. Taken together, these data as well as our published studies suggest that CD1d-reactive T cells protect against the development of lupus in animal models. However, these cells appear to be unable to suppress established lupus nephritis in these animals, and might even play a disease aggravating role in late stages of disease.

  9. Development of a 1 D hydrodynamic habitat model for the Hippopotamus amphibious as basis for sustainable exploitation of hydroelectric power

    NASA Astrophysics Data System (ADS)

    Manful, D. Y.; Kaule, G.; Wieprecht, S.; Rees, J.; Hu, W.

    2009-12-01

    Hydroelectric Power (HEP) is proving to be a good alternative to carbon based energy. In the past hydropower especially large scale hydro attracted significant criticism as a result of its impact on the environment. A new breed of hydroelectric dam is in the offing. The aim is to have as little a footprint as possible on the environment in both pre and post construction phases and thus minimize impact on biodiversity whilst producing clean renewable energy. The Bui dam is 400 MW scheme currently under development on the Black Volta River in the Bui national park in Ghana. The reservoir created by the Bui barrage is expected to impact (through inundation) the habitat of two species of hippos know to exist in the park, the Hippopotamus amphibius and the Choeropsis liberiensis. Computer-based models present a unique opportunity to assess quantitatively the impact of the new reservoir on the habitat of the target species in this case the H. amphibious. Until this undertaking, there were very few studies documenting the habitat of the H. amphibious let alone model it. The work and subsequent presentation will show the development of a habitat model for the Hippopotamus amphibius. The Habitat Information retrieval Program based on Streamflow Analysis, in short HIPStrA, is a one dimensional (1D) in-stream, spatially explicit hybrid construct that combines physico-chemical evidence and expert knowledge to forecast river habitat suitability (Hs) for the Hippopotamus amphibius. The version of the model presented is specifically developed to assess the impact of a reservoir created by a hydroelectric dam on potential dwelling areas in the Bui gorge for hippos. Accordingly, this version of HIPStrA simulates a special reservoir suitability index (Rsi), a metric that captures the”hippo friendliness” of any lake or reservoir. The impact of measured and simulated flood events as well as low flows, representing extreme events is also assessed. Recommendations are made for the

  10. Photochemical Internalization of Bleomycin Before External-Beam Radiotherapy Improves Locoregional Control in a Human Sarcoma Model

    SciTech Connect

    Norum, Ole-Jacob; Bruland, Oyvind Sverre; Gorunova, Ludmila; Berg, Kristian

    2009-11-01

    Purpose: The aim of this study was to explore the tumor growth response of the combination photochemical internalization and external-beam radiotherapy. Photochemical internalization is a technology to improve the utilization of therapeutic macromolecules in cancer therapy by photochemical release of endocytosed macromolecules into the cytosol. Methods and Materials: A human sarcoma xenograft TAX-1 was inoculated subcutaneously into nude mice. The photosensitizer AlPcS{sub 2a} and bleomycin were intraperitoneally administrated 48 h and 30 min, respectively, before diode laser light exposure at 670 nm (20 J/cm{sup 2}). Thirty minutes or 7 days after photochemical treatment, the animals were subjected to 4 Gy of ionizing radiation. Results: Using photochemical internalization of bleomycin as an adjunct to ionizing radiation increased the time to progression for the tumors from 17 to 33 days as compared with that observed with photodynamic therapy combined with ionizing radiation as well as for radiochemotherapy with bleomycin. The side effects observed when photochemical internalization of bleomycin was given shortly before ionizing radiation were eliminated by separating the treatment modalities in time. Conclusion: Photochemical internalization of bleomycin combined with ionizing radiation increased the time to progression and showed minimal toxicity and may therefore reduce the total radiation dose necessary to obtain local tumor control while avoiding long-term sequelae from radiotherapy.

  11. A two-dimensional photochemical model of the atmosphere. I Chlorocarbon emissions and their effect on stratospheric ozone

    NASA Technical Reports Server (NTRS)

    Gidel, L. T.; Crutzen, P. J.; Fishman, J.

    1983-01-01

    A two-dimensional photochemical model is used to examine changes to the ozone layer caused by emissions of CFCl3, CF2Cl2, CH3CCl3 and CCl4. The influence of a possible secular increase in tropospheric methane up to 2 percent per year was found to be small, although it acts to mask decreases in total ozone caused by the chlorocarbons. Increasing NO(x) emissions caused by industralization also tend to mask decreases in total ozone and may have caused total ozone to increase by about 1 percent. The model-calculated ozone decreases are estimated to be about 3 percent by 1980. This estimate is higher than estimates by similar models, although it is noted that CCl4 and CH3CCl3 emissions are included in the model in addition to CFCl3 and CF2Cl2. This is significant because the model indicates that CCl4 has dominated the ozone depletions so far, and knowledge of the historical emission rate of CCl4 to the atmosphere is incomplete. There remain sufficient significant disagreements between theoretical and observed concentrations and variabilities, particularly for odd nitrogen and ClO, to caution against assigning too much confidence in the calculated ozone depletion.

  12. 1D-Var multilayer assimilation of X-band SAR data into a detailed snowpack model

    NASA Astrophysics Data System (ADS)

    Phan, X. V.; Ferro-Famil, L.; Gay, M.; Durand, Y.; Dumont, M.; Morin, S.; Allain, S.; D'Urso, G.; Girard, A.

    2014-10-01

    The structure and physical properties of a snowpack and their temporal evolution may be simulated using meteorological data and a snow metamorphism model. Such an approach may meet limitations related to potential divergences and accumulated errors, to a limited spatial resolution, to wind or topography-induced local modulations of the physical properties of a snow cover, etc. Exogenous data are then required in order to constrain the simulator and improve its performance over time. Synthetic-aperture radars (SARs) and, in particular, recent sensors provide reflectivity maps of snow-covered environments with high temporal and spatial resolutions. The radiometric properties of a snowpack measured at sufficiently high carrier frequencies are known to be tightly related to some of its main physical parameters, like its depth, snow grain size and density. SAR acquisitions may then be used, together with an electromagnetic backscattering model (EBM) able to simulate the reflectivity of a snowpack from a set of physical descriptors, in order to constrain a physical snowpack model. In this study, we introduce a variational data assimilation scheme coupling TerraSAR-X radiometric data into the snowpack evolution model Crocus. The physical properties of a snowpack, such as snow density and optical diameter of each layer, are simulated by Crocus, fed by the local reanalysis of meteorological data (SAFRAN) at a French Alpine location. These snowpack properties are used as inputs of an EBM based on dense media radiative transfer (DMRT) theory, which simulates the total backscattering coefficient of a dry snow medium at X and higher frequency bands. After evaluating the sensitivity of the EBM to snowpack parameters, a 1D-Var data assimilation scheme is implemented in order to minimize the discrepancies between EBM simulations and observations obtained from TerraSAR-X acquisitions by modifying the physical parameters of the Crocus-simulated snowpack. The algorithm then re

  13. Measurement of tropospheric 300 nm solar ultraviolet flux for determination of O/1D/ photoproduction rate

    NASA Technical Reports Server (NTRS)

    Sellers, B.; Hanser, F. A.

    1978-01-01

    The tropospheric importance of the OH radical, and the reaction scheme that leads to its formation, are now being widely investigated. Ozone photolysis at wavelengths no greater than 318 nm produces O(1D), a small fraction of which then reacts with water vapor to yield OH. Although experimental data are available for the O(1D) quantum yield, as well as the O3 absorption cross section, all previous tropospheric photochemical models have had to use theoretical calculations to determine the UV flux. Discussed in this paper are aircraft spectral measurements of the solar UV flux at two altitudes - 2 and 6 km. These results have been compared with three theoretical approaches. The measured experimental fluxes have been combined here with recent quantum yield data to calculate the O(1D) photoproduction rate for various albedo values. This rate is larger than that used in models by about a factor of 2 for reasonable values of assumed albedo.

  14. Combined effects of organic reactivity and NMHC/NOx ratio on photochemical-oxidant formation - a modeling study

    SciTech Connect

    Dodge, M.C.

    1984-01-01

    A modeling study was undertaken to assess the effect of organic reactivity on photochemical-oxidant formation. A six-component hydrocarbon model was developed and tested against data collected in a smog chamber study of irradiated auto exhaust and oxides of nitrogen NOx mixtures. The model was then adjusted to conditions that closely approximated those of the urban environment and used to assess the relative reactivity of various organic constituents present in an urban-like air mass. Twelve organics were investigated in the study: ethane, propane, n-butane, ethylene, propylene, trans-2-butene, toluene, m-xylene, methanol, ethanol, formalehyde, and acetaldehyde. The findings of this study indicate that the reactivity of organics depends strongly on the hydrocarbon-to-NOx ratio of the mix in which they are reacting. At low hydrocarbon-to-NOx ratios, the organics investigated in this study displayed significantly different O/sub 3/-forming potentials. At high hydrocarbon-to-NOx ratios, however, all organics exhibited comparable O to 3-forming potential.

  15. Photochemical Grid Modelling Study to Assess Potential Air Quality Impacts Associated with Energy Development in Colorado and Northern New Mexico.

    NASA Astrophysics Data System (ADS)

    Parker, L. K.; Morris, R. E.; Zapert, J.; Cook, F.; Koo, B.; Rasmussen, D.; Jung, J.; Grant, J.; Johnson, J.; Shah, T.; Pavlovic, T.

    2015-12-01

    The Colorado Air Resource Management Modeling Study (CARMMS) was funded by the Bureau of Land Management (BLM) to predict the impacts from future federal and non-federal energy development in Colorado and Northern New Mexico. The study used the Comprehensive Air Quality Model with extensions (CAMx) photochemical grid model (PGM) to quantify potential impacts from energy development from BLM field office planning areas. CAMx source apportionment technology was used to track the impacts from multiple (14) different emissions source regions (i.e. field office areas) within one simulation, as well as to assess the cumulative impact of emissions from all source regions combined. The energy development emissions estimates were for the year 2021 for three different development scenarios: (1) low; (2) high; (3) high with emissions mitigation. Impacts on air quality (AQ) including ozone, PM2.5, PM10, NO2, SO2, and air quality related values (AQRVs) such as atmospheric deposition, regional haze and changes in Acid Neutralizing Capacity (ANC) of lakes were quantified, and compared to establish threshold levels. In this presentation, we present a brief summary of the how the emission scenarios were developed, we compare the emission totals for each scenario, and then focus on the ozone impacts for each scenario to assess: (1). the difference in potential ozone impacts under the different development scenarios and (2). to establish the sensitivity of the ozone impacts to different emissions levels. Region-wide ozone impacts will be presented as well as impacts at specific locations with ozone monitors.

  16. Code package MAG c user tool for numerical modeling of 1D shock wave and dynamic processes in solids

    NASA Astrophysics Data System (ADS)

    Rudenko, Vladimir; Shaburov, Michail

    1999-06-01

    Design and theoretical and numerical preparation of shock wave experiments require, as a rule, conduction of a large amount of calculations. Usually preparation of a problem for numerical solution, calculation and processing of the results is done be programmers c mathematicians. The appearance of powerful personal computers and interface tools allows to develop such user-oriented programs that a researcher can handle them without the help of a mathematician, even if he does not have special programming background. Code package MAG for numerical solution of 1D system of equations of hydrodynamics, elastoplastics, heat conduction and magnetic hydrodynamic. A number of modern models of elastoplastics and kinetics of power materials is implemented in it. The package includes libraries of equations of state, thermal physical and electromagnetic properties of substances. The code package is an interactive visual medium providing a user with the following capabilities: ? Input and edit initial data for a problem; ? Calculate separate problems, as well as series of problems with a possibility of automatic variation of parameters; ? View the modeled phenomena dynamically using the means of visualization; ? Control the process of calculation: terminate the calculation, change parameters, make express-processing of the results, continue the calculation etc.; ? Process the numerical results producing final plots and tables; ? Record and store numerical results in databases, including the formats supported by Microsoft Word, Acces, Exel; ? Make dynamic visual comparison of the results of several simultaneous calculations; ? Carry out automatic numerical optimization of a selected experimental scheme. The package is easy in use, allows prompt input and convenient information processing. The validity of numerical results obtained with the package MAG has been proved by numerous hydrodynamic experiments and comparisons with numerical results from similar programs. The package was

  17. Constitutive model for flake graphite cast iron automotive brake discs: from macroscopic multiscale models to a 1D rheological description

    NASA Astrophysics Data System (ADS)

    Augustins, L.; Billardon, R.; Hild, F.

    2016-07-01

    One of the critical points of the thermomechanical fatigue design process is the correct description of the cyclic behavior of the material. This work focuses on the material of automotive brake discs, namely flake graphite cast iron. The specificity of this material is its asymmetric behavior under tensile and compressive loadings, which is due to the shape of graphite that acts as small cracks. Multiscale models inspired from the literature are first presented. They lead to a good description of the material behavior under cyclic loadings. An elastoviscoplastic constitutive model is then proposed in a one-dimensional setting in order to accurately describe cyclic tests from room temperature up to {600^{circ}{C}}.

  18. Model-Based Least Squares Reconstruction of Coded Source Neutron Radiographs: Integrating the ORNL HFIR CG1D Source Model

    SciTech Connect

    Santos-Villalobos, Hector J; Gregor, Jens; Bingham, Philip R

    2014-01-01

    At the present, neutron sources cannot be fabricated small and powerful enough in order to achieve high resolution radiography while maintaining an adequate flux. One solution is to employ computational imaging techniques such as a Magnified Coded Source Imaging (CSI) system. A coded-mask is placed between the neutron source and the object. The system resolution is increased by reducing the size of the mask holes and the flux is increased by increasing the size of the coded-mask and/or the number of holes. One limitation of such system is that the resolution of current state-of-the-art scintillator-based detectors caps around 50um. To overcome this challenge, the coded-mask and object are magnified by making the distance from the coded-mask to the object much smaller than the distance from object to detector. In previous work, we have shown via synthetic experiments that our least squares method outperforms other methods in image quality and reconstruction precision because of the modeling of the CSI system components. However, the validation experiments were limited to simplistic neutron sources. In this work, we aim to model the flux distribution of a real neutron source and incorporate such a model in our least squares computational system. We provide a full description of the methodology used to characterize the neutron source and validate the method with synthetic experiments.

  19. Aqueous-phase photochemical oxidation and direct photolysis of vanillin - a model compound of methoxy-phenols from biomass burning

    NASA Astrophysics Data System (ADS)

    Li, Y. J.; Huang, D. D.; Cheung, H. Y.; Lee, A. K. Y.; Chan, C. K.

    2013-10-01

    We present here experimental results on aqueous-phase (A) photochemical oxidation (with UV and OH radicals generated from H2O2 photolysis) and (B) direct photolysis (with only UV irradiation) of a methoxy-phenol, vanillin (VL), as a model compound from biomass burning. Both on-line aerosol mass spectrometric (AMS) characterization and off-line chemical analyses were performed. AMS analyses of dried atomized droplets of the bulk reacting mixtures showed that VL almost entirely evaporates during the drying process. Large amounts of organic mass remained in the particle phase after reactions under both conditions. Under condition (A), AMS measured organic mass first increased rapidly and then decreased, attributable to the formation of non-volatile products and subsequent formation of smaller and volatile products, respectively. The oxygen-to-carbon (O:C) ratio of the products reached 1.5 after about 80 min, but dropped substantially thereafter. In contrast, organic mass increased slowly under condition (B). The O:C ratio reached 1.0 after 180 min. In off-line analyses, small oxygenates were detected under condition (A), while hydroxylated products and dimers of VL were detected under condition (B). Particle hygroscopic growth factor (GF) and cloud condensation nuclei (CCN) activity of the reacting mixtures were found to be dependent on both organic volume fraction and the degree of oxygenation of organics. Results show that (1) aqueous-phase processes can lead to the retention of a large portion of the organic mass in the particle phase; (2) once retained, this portion of organic mass significantly changes the hygroscopicity and CCN activity of the aerosol particles; (3) intensive photochemical oxidation gave rise to an O:C ratio as high as 1.5 but the ratio decreased as further oxidation led to smaller and more volatile products; and (4) polymerization occurred with direct photolysis, resulting in high-molecular-weight products of a yellowish color. This study

  20. Aqueous-phase photochemical oxidation and direct photolysis of vanillin - a model compound of methoxy phenols from biomass burning

    NASA Astrophysics Data System (ADS)

    Li, Y. J.; Huang, D. D.; Cheung, H. Y.; Lee, A. K. Y.; Chan, C. K.

    2014-03-01

    We present here experimental results on aqueous-phase (A) photochemical oxidation (with UV and OH radicals generated from H2O2 photolysis) and (B) direct photolysis (with only UV irradiation) of a methoxy phenol, vanillin (VL), as a model compound from biomass burning. Both on-line aerosol mass spectrometric (AMS) characterization and off-line chemical analyses were performed. AMS analyses of dried atomized droplets of the bulk reacting mixtures showed that VL almost entirely evaporates during the drying process. Large amounts of organic mass remained in the particle phase after reactions under both conditions. Under condition (A), AMS measured organic mass first increased rapidly and then decreased, attributable to the formation of non-volatile products and subsequent formation of smaller and volatile products, respectively. The oxygen-to-carbon (O : C) ratio of the products reached 1.5 after about 80 min, but dropped substantially thereafter. In contrast, organic mass increased slowly under condition (B). The O : C ratio reached 1.0 after 180 min. In off-line analyses, small oxygenates were detected under condition (A), while hydroxylated products and dimers of VL were detected under condition (B). Particle hygroscopic growth factor (GF) and cloud condensation nuclei (CCN) activity of the reacting mixtures were found to depend on both organic volume fraction and the degree of oxygenation of organics. Results show that (1) aqueous-phase processes can lead to the retention of a large portion of the organic mass in the particle phase; (2) once retained, this portion of organic mass significantly changes the hygroscopicity and CCN activity of the aerosol particles; (3) intensive photochemical oxidation gave rise to an O : C ratio as high as 1.5 but the ratio decreased as further oxidation led to smaller and more volatile products; and (4) polymerization occurred with direct photolysis, resulting in high-molecular-weight products of a yellowish color. This study

  1. Photochemical grid model estimates of lateral boundary contributions to ozone and particulate matter across the continental United States

    NASA Astrophysics Data System (ADS)

    Baker, Kirk R.; Emery, Chris; Dolwick, Pat; Yarwood, Greg

    2015-12-01

    Multiple approaches to characterize lateral boundary contributions to photochemical model predicted ozone (O3) and particulate matter less than 2.5 microns in diameter (PM2.5) are available in the Comprehensive Air quality Model with extensions (CAMx). Here, three approaches are used for O3: (1) a comprehensive source apportionment scheme for chemical boundary conditions and emissions (OSAT), (2) chemically reactive tracers (RTRAC), and (3) chemically inert tracers. Two approaches are used for PM2.5: (1) particulate source apportionment (PSAT) and (2) chemically inert tracers. The inert tracer approach resulted in higher O3 lateral boundary contribution estimates because the method does not account for any O3 destruction reactions. OSAT and RTRAC estimate generally similar monthly average contributions during the warmer months although RTRAC estimates higher urban area contribution during the cold months because this RTRAC implementation did not treat O3 titration by NO. Accurate representation of lateral boundary O3 impacts must include appropriate accounting for O3 destruction reactions. OSAT and RTRAC were configured to estimate the contribution to modeled O3 from each of the four lateral faces of the model domain. RTRAC was configured to further stratify the western and northern boundaries by groups of vertical layers. The RTRAC approach showed that the largest O3 contributions to the continental U.S. are from the mid-troposphere, with less contribution from the upper troposphere/lower stratosphere. Inert tracers compared more closely to reactive tracers on average for PM2.5 compared to O3. This close agreement for PM2.5 indicates most of the lateral boundary contribution is from PM2.5 rather than precursor inflow. A strong relationship exists between model predicted PM2.5 boundary contribution and model overestimates of nitrate and organic carbon at IMPROVE monitor locations suggesting global model estimates of these species were overestimated at some places

  2. Ozone production in urban plumes transported over water: Photochemical model and case studies in the northeastern and midwestern United States

    NASA Astrophysics Data System (ADS)

    Sillman, Sanford; Samson, Perry J.; Masters, Jeffrey M.

    1993-07-01

    Abnormally high concentrations of O3 have been observed in rural locations on the shore of Lake Michigan and on the Atlantic coast in Maine, at a distance of 300 km or more from major anthropogenic sources. We hypothesize that this O3 is associated with transport from major urban centers and with the suppression of vertical mixing as urban plumes are transported over water. A dynamical/photochemical model is developed that represents formation of O3 in shoreline environments and is used to simulate case studies for Lake Michigan and the northeastern United States. Results suggest that a broad region with elevated O3, NOx and volatile organic carbon (VOC) forms as the Chicago plume travels over Lake Michigan, a pattern consistent with observed O3 at surface monitoring sites. Near-total suppression of dry deposition of O3 and NOx over the lake is needed to produce high O3. Results for the east coast suggest that the observed peak O3 can only be reproduced by a model that includes suppressed vertical mixing and deposition over water, 2-day transport of a plume from New York, and superposition of the New York and Boston plumes. An investigation of the sensitivity of O3 to emissions of NOx and VOC suggests that results vary greatly between cities, even when the composition of urban emissions is similar. An index for VOC versus NOx sensitivity is shown to correlate with total reactive nitrogen (NOy) at the time of peak O3.

  3. The Roles of RNA Polymerase I and III Subunits Polr1c and Polr1d in Craniofacial Development and in Zebrafish Models of Treacher Collins Syndrome.

    PubMed

    Noack Watt, Kristin E; Achilleos, Annita; Neben, Cynthia L; Merrill, Amy E; Trainor, Paul A

    2016-07-01

    Ribosome biogenesis is a global process required for growth and proliferation of all cells, yet perturbation of ribosome biogenesis during human development often leads to tissue-specific defects termed ribosomopathies. Transcription of the ribosomal RNAs (rRNAs) by RNA polymerases (Pol) I and III, is considered a rate limiting step of ribosome biogenesis and mutations in the genes coding for RNA Pol I and III subunits, POLR1C and POLR1D cause Treacher Collins syndrome, a rare congenital craniofacial disorder. Our understanding of the functions of individual RNA polymerase subunits, however, remains poor. We discovered that polr1c and polr1d are dynamically expressed during zebrafish embryonic development, particularly in craniofacial tissues. Consistent with this pattern of activity, polr1c and polr1d homozygous mutant zebrafish exhibit cartilage hypoplasia and cranioskeletal anomalies characteristic of humans with Treacher Collins syndrome. Mechanistically, we discovered that polr1c and polr1d loss-of-function results in deficient ribosome biogenesis, Tp53-dependent neuroepithelial cell death and a deficiency of migrating neural crest cells, which are the primary progenitors of the craniofacial skeleton. More importantly, we show that genetic inhibition of tp53 can suppress neuroepithelial cell death and ameliorate the skeletal anomalies in polr1c and polr1d mutants, providing a potential avenue to prevent the pathogenesis of Treacher Collins syndrome. Our work therefore has uncovered tissue-specific roles for polr1c and polr1d in rRNA transcription, ribosome biogenesis, and neural crest and craniofacial development during embryogenesis. Furthermore, we have established polr1c and polr1d mutant zebrafish as models of Treacher Collins syndrome together with a unifying mechanism underlying its pathogenesis and possible prevention. PMID:27448281

  4. The Roles of RNA Polymerase I and III Subunits Polr1c and Polr1d in Craniofacial Development and in Zebrafish Models of Treacher Collins Syndrome.

    PubMed

    Noack Watt, Kristin E; Achilleos, Annita; Neben, Cynthia L; Merrill, Amy E; Trainor, Paul A

    2016-07-01

    Ribosome biogenesis is a global process required for growth and proliferation of all cells, yet perturbation of ribosome biogenesis during human development often leads to tissue-specific defects termed ribosomopathies. Transcription of the ribosomal RNAs (rRNAs) by RNA polymerases (Pol) I and III, is considered a rate limiting step of ribosome biogenesis and mutations in the genes coding for RNA Pol I and III subunits, POLR1C and POLR1D cause Treacher Collins syndrome, a rare congenital craniofacial disorder. Our understanding of the functions of individual RNA polymerase subunits, however, remains poor. We discovered that polr1c and polr1d are dynamically expressed during zebrafish embryonic development, particularly in craniofacial tissues. Consistent with this pattern of activity, polr1c and polr1d homozygous mutant zebrafish exhibit cartilage hypoplasia and cranioskeletal anomalies characteristic of humans with Treacher Collins syndrome. Mechanistically, we discovered that polr1c and polr1d loss-of-function results in deficient ribosome biogenesis, Tp53-dependent neuroepithelial cell death and a deficiency of migrating neural crest cells, which are the primary progenitors of the craniofacial skeleton. More importantly, we show that genetic inhibition of tp53 can suppress neuroepithelial cell death and ameliorate the skeletal anomalies in polr1c and polr1d mutants, providing a potential avenue to prevent the pathogenesis of Treacher Collins syndrome. Our work therefore has uncovered tissue-specific roles for polr1c and polr1d in rRNA transcription, ribosome biogenesis, and neural crest and craniofacial development during embryogenesis. Furthermore, we have established polr1c and polr1d mutant zebrafish as models of Treacher Collins syndrome together with a unifying mechanism underlying its pathogenesis and possible prevention.

  5. The Roles of RNA Polymerase I and III Subunits Polr1c and Polr1d in Craniofacial Development and in Zebrafish Models of Treacher Collins Syndrome

    PubMed Central

    Achilleos, Annita; Neben, Cynthia L.; Merrill, Amy E.; Trainor, Paul A.

    2016-01-01

    Ribosome biogenesis is a global process required for growth and proliferation of all cells, yet perturbation of ribosome biogenesis during human development often leads to tissue-specific defects termed ribosomopathies. Transcription of the ribosomal RNAs (rRNAs) by RNA polymerases (Pol) I and III, is considered a rate limiting step of ribosome biogenesis and mutations in the genes coding for RNA Pol I and III subunits, POLR1C and POLR1D cause Treacher Collins syndrome, a rare congenital craniofacial disorder. Our understanding of the functions of individual RNA polymerase subunits, however, remains poor. We discovered that polr1c and polr1d are dynamically expressed during zebrafish embryonic development, particularly in craniofacial tissues. Consistent with this pattern of activity, polr1c and polr1d homozygous mutant zebrafish exhibit cartilage hypoplasia and cranioskeletal anomalies characteristic of humans with Treacher Collins syndrome. Mechanistically, we discovered that polr1c and polr1d loss-of-function results in deficient ribosome biogenesis, Tp53-dependent neuroepithelial cell death and a deficiency of migrating neural crest cells, which are the primary progenitors of the craniofacial skeleton. More importantly, we show that genetic inhibition of tp53 can suppress neuroepithelial cell death and ameliorate the skeletal anomalies in polr1c and polr1d mutants, providing a potential avenue to prevent the pathogenesis of Treacher Collins syndrome. Our work therefore has uncovered tissue-specific roles for polr1c and polr1d in rRNA transcription, ribosome biogenesis, and neural crest and craniofacial development during embryogenesis. Furthermore, we have established polr1c and polr1d mutant zebrafish as models of Treacher Collins syndrome together with a unifying mechanism underlying its pathogenesis and possible prevention. PMID:27448281

  6. Mapping fractures using 1D anisotropic modelling of magnetotelluric data: a case study from the Otway Basin, Victoria, Australia

    NASA Astrophysics Data System (ADS)

    Kirkby, A.; Heinson, G.; Holford, S.; Thiel, S.

    2015-06-01

    We present 1D anisotropic inversion of magnetotelluric (MT) data as a potential tool for mapping structural permeability in sedimentary basins. Using 1D inversions of a 171 site, broadband MT data set from the Koroit region of the Otway Basin, Victoria, Australia, we have delineated an electrically anisotropic layer at approximately 2.5 to 3.5 km depth. The anisotropy strike is consistent between stations at approximately 160° east of north. The depth of anisotropy corresponds to the top depth of the Lower Cretaceous Crayfish Group, and the anisotropy factor increases from west to east. We interpret the anisotropy as resulting from north-northwest oriented, fluid-filled fractures resulting in enhanced electrical and hydraulic conductivity. This interpretation is consistent with permeability data from well formation tests. It is also consistent with the orientation of mapped faults in the area, which are optimally oriented for reactivation in the current stress field.

  7. Photochemical production of ozone and control strategy for Southern Taiwan

    NASA Astrophysics Data System (ADS)

    Shiu, Chein-Jung; Liu, Shaw Chen; Chang, Chih-Chung; Chen, Jen-Ping; Chou, Charles C. K.; Lin, Chuan-Yao; Young, Chea-Yuan

    An observation-based method (OBM) is developed to evaluate the ozone (O 3) production efficiency (O 3 molecules produced per NO x molecule consumed) and O 3 production rate ( P(O 3)) during a field campaign in southern Taiwan. The method can also provide an estimate of the concentration of OH. A key step in the method is to use observed concentrations of two aromatic hydrocarbons, namely ethylbenzene and m, p-xylene, to estimate the degree of photochemical processing and amounts of photochemically consumed NO x and NMHCs by OH. In addition, total oxidant (O 3+NO 2) instead of O 3 itself turns out to be very useful for representing ozone production in the OBM approach. The average O 3 production efficiency during the field campaign in Fall (2003) is found to be about 10.2±3.9. The relationship of P(O 3) with NO x is examined and compared with a one-dimensional (1D) photochemical model. Values of P(O 3) derived from the OBM are slightly lower than those calculated in the 1D model. However, OH concentrations estimated by the OBM are about a factor of 2 lower than the 1D model. Fresh emissions, which affect the degree of photochemical processing appear to be a major cause of the underestimate. We have developed a three-dimensional (3D) OBM O 3 production diagram that resembles the EKMA ozone isopleth diagram to study the relationship of the total oxidant versus O 3 precursors. The 3D OBM O 3 production diagram suggests that reducing emissions of NMHCs are more effective in controlling O 3 than reducing NO x. However, significant uncertainties remain in the OBM, and considerable more work is required to minimize these uncertainties before a definitive control strategy can be reached. The observation-based approach provides a good alternative to measuring peroxy radicals for evaluating the production of O 3 and formulating O 3 control strategy in urban and suburban environments.

  8. Application of Wavelet Filters in an Evaluation of Photochemical Model Performance

    EPA Science Inventory

    Air quality model evaluation can be enhanced with time-scale specific comparisons of outputs and observations. For example, high-frequency (hours to one day) time scale information in observed ozone is not well captured by deterministic models and its incorporation into model pe...

  9. OH-initiated heterogeneous oxidation of cholestane: a model system for understanding the photochemical aging of cyclic alkane aerosols.

    PubMed

    Zhang, Haofei; Ruehl, Christopher R; Chan, Arthur W H; Nah, Theodora; Worton, David R; Isaacman, Gabriel; Goldstein, Allen H; Wilson, Kevin R

    2013-11-27

    Aerosols containing aliphatic hydrocarbons play a substantial role in the urban atmosphere. Cyclic alkanes constitute a large fraction of aliphatic hydrocarbon emissions originating from incomplete combustion of diesel fuel and motor oil. In the present study, cholestane (C27H48) is used as a model system to examine the OH-initiated heterogeneous oxidation pathways of cyclic alkanes in a photochemical flow tube reactor. Oxidation products are collected on filters and analyzed by a novel soft ionization two-dimensional gas chromatography/mass spectrometry technique. The analysis reveals that the first-generation functionalization products (cholestanones, cholestanals, and cholestanols) are the dominant reaction products that account for up to 70% by mass of the total speciated compounds. The ratio of first-generation carbonyls to alcohols is near unity at every oxidation level. Among the cholestanones/cholestanals, 55% are found to have the carbonyl group on the rings of the androstane skeleton, while 74% of cholestanols have the hydroxyl group on the rings. Particle-phase oxidation products with carbon numbers less than 27 (i.e., "fragmentation products") and higher-generation functionalization products are much less abundant. Carbon bond cleavage was found to occur only on the side chain. Tertiary-carbon alkoxy radicals are suggested to play an important role in governing both the distribution of functionalization products (via alkoxy radical isomerization and reaction with oxygen) and the fragmentation products (via alkoxy radical decomposition). These results provide new insights into the oxidation mechanism of cyclic alkanes.

  10. OH-initiated heterogeneous oxidation of cholestane: a model system for understanding the photochemical aging of cyclic alkane aerosols.

    PubMed

    Zhang, Haofei; Ruehl, Christopher R; Chan, Arthur W H; Nah, Theodora; Worton, David R; Isaacman, Gabriel; Goldstein, Allen H; Wilson, Kevin R

    2013-11-27

    Aerosols containing aliphatic hydrocarbons play a substantial role in the urban atmosphere. Cyclic alkanes constitute a large fraction of aliphatic hydrocarbon emissions originating from incomplete combustion of diesel fuel and motor oil. In the present study, cholestane (C27H48) is used as a model system to examine the OH-initiated heterogeneous oxidation pathways of cyclic alkanes in a photochemical flow tube reactor. Oxidation products are collected on filters and analyzed by a novel soft ionization two-dimensional gas chromatography/mass spectrometry technique. The analysis reveals that the first-generation functionalization products (cholestanones, cholestanals, and cholestanols) are the dominant reaction products that account for up to 70% by mass of the total speciated compounds. The ratio of first-generation carbonyls to alcohols is near unity at every oxidation level. Among the cholestanones/cholestanals, 55% are found to have the carbonyl group on the rings of the androstane skeleton, while 74% of cholestanols have the hydroxyl group on the rings. Particle-phase oxidation products with carbon numbers less than 27 (i.e., "fragmentation products") and higher-generation functionalization products are much less abundant. Carbon bond cleavage was found to occur only on the side chain. Tertiary-carbon alkoxy radicals are suggested to play an important role in governing both the distribution of functionalization products (via alkoxy radical isomerization and reaction with oxygen) and the fragmentation products (via alkoxy radical decomposition). These results provide new insights into the oxidation mechanism of cyclic alkanes. PMID:24152093

  11. Implementation and evaluation of PM2.5 source contribution analysis in a photochemical model

    EPA Science Inventory

    Source culpability assessments are useful for developing effective emissions control programs. The Integrated Source Apportionment Method (ISAM) has been implemented in the Community Multiscale Air Quality (CMAQ) model to track contributions from source groups and regions to ambi...

  12. Regional Scale Photochemical Model Evaluation of Total Mercury Wet Deposition and Speciated Ambient Mercury

    EPA Science Inventory

    Methylmercury is a known neurotoxin with deleterious health effects on humans and wildlife. Atmospheric deposition is the largest source of mercury loading to most terrestrial and aquatic ecosystems. Regional scale air quality models are needed to quantify mercury deposition resu...

  13. Interpretation of Lidar and Satellite Data Sets Using a Global Photochemical Model

    NASA Technical Reports Server (NTRS)

    Zenker, Thomas; Chyba, Thomas

    1999-01-01

    A primary goal of the NASA Tropospheric Chemistry Program (TCP) is to "contribute substantially to scientific understanding of human impacts on the global troposphere". In order to analyze global or regional trends and factors of the troposphere chemistry, for example, its oxidation capacity or composition, a continuous global/regional data coverage as well as model simulations are needed. The Global Tropospheric Experiment (GTE), a major component of the TCP, provides data vital to these questions via aircraft measurement of key trace chemical species in various remote regions of the world. Another component in NASA's effort are satellite projects for exploration of tropospheric chemistry and dynamics. A unique data product is the Tropospheric Ozone Residual (TOR) utilizing global tropospheric ozone data. Another key research tool are simulation studies of atmospheric chemistry and dynamics for the theoretical understanding of the atmosphere, the extrapolation of observed trends, and for sensitivity studies assessing a changing anthropogenic impact to air chemistry and climate. In the context with model simulations, field data derived from satellites or (airborne) field missions are needed for two purposes: 1. To initialize and validate model simulations, and 2., to interpret field data by comparison to model simulation results in order to analyze global or regional trends and deviations from standard tropospheric chemistry and transport conditions as defined by the simulations. Currently, there is neither a sufficient global data coverage available nor are existing well established global circulation models. The NASA LARC CTM model is currently not yet in a state to accomplish a sufficient tropospheric chemistry simulation, so that the current research under this cooperative agreement focuses on utilizing field data products for direct interpretation. They will be also available for model testing and a later interpretation with a finally utilized model.

  14. Photochemical Air Quality Modeling for California By U.S. EPA and Carb

    NASA Astrophysics Data System (ADS)

    Kelly, J.; Cai, C.; Baker, K. R.; Avise, J.; Kaduwela, A. P.

    2014-12-01

    Multiple areas of California have been designated as nonattainment of the National Ambient Air Quality Standards (NAAQS) for ozone and PM2.5 (particulate matter with aerodynamic diameter < 2.5 microns). Air quality modeling plays a key role in developing emission control strategies for attaining the NAAQS in these regions and for estimating the incremental costs and benefits of meeting new NAAQS levels. The complex terrain, meteorology, emissions, and chemistry in California present challenges to such air quality modeling. In this study, we improve understanding of modeling approaches for California by comparing and evaluating predictions of the Community Multiscale Air Quality (CMAQ) model as configured by the California Air Resources Board (CARB) and the U.S. Environmental Protection Agency (EPA). Both simulations were conducted at 4-km horizontal resolution and cover the May-June 2010 period when special study measurements were made. Despite differences in emissions, meteorology, boundary conditions, and chemical mechanisms, the CMAQ predictions by EPA and CARB were generally similar with good model performance for ozone at key monitors. Differences in predictions for PM2.5 components were identified in some locations and attributed to differences in emissions and other platform elements. Our results suggest areas where model development would be beneficial.

  15. Interpretation of lidar and satellite data sets using a global photochemical model

    NASA Technical Reports Server (NTRS)

    Chyba, Thomas; Zenker, Thomas (Principal Investigator)

    1996-01-01

    The status in the beginning of the report period was that the existing General Circulation Model (GCM) was running with a chemistry module compiled for stratospheric simulation studies. The chemistry simulation was not working sufficiently in the troposphere and any tropospheric trace gas sources or dry deposition sinks were not yet incorporated. The current status concerning the chemistry module is that the chemistry simulation has been modified to also simulate the chemistry in the troposphere with resulting mixing ratios close to other model simulations as described in Olson et al. (1996). The mechanism to incorporate trace gas source and dry deposition sinks, testing for H202, CH300H, 03, HCHO, HN03, and N02, are incorporated and is currently being tested. Existing model and development versions include: the full GCM model, currently still running with the original stratospheric chemistry module; an off-line version of the GCM, i.e. wind and photolysis rates are pre-calculated and prescribed in read-in arrays; a box model version of the modified chemistry module for developments and first tests of new modifications; and a box model with the same chemistry simulated but flexible partitioning and integration methods for test purposes of those. The grantee's work focused mainly on three areas: trace gas sources and dry deposition; method to introduce a NO source instead of a NO(x) source; and investigating integration methods.

  16. A Detailed Process Based Evaluation of Photochemical Air Quality Model Simulations of Houston, TX

    NASA Astrophysics Data System (ADS)

    Vizuete, W.; Kioumourtzoglou, M.; Jeffries, H.

    2006-12-01

    This work will present a process based evaluation of several modeling attempts of the Houston, TX non- attainment area. These modeling attempts include efforts by the Texas state agency, private consultants, and several Universities, resulting in multiple simulations of the same modeling episode and domain. These simulations were performed with the Comprehensive Air quality Model with extensions (CAMx) under a variety of meteorological and emission inputs. Through an initial comparison of model and ambient data the model underpredicts ozone concentrations in nearly every modeling attempt. This observation held true even when a large artificial imputation of ozone precursors, specifically ethylene and propylene, were added to some modeling simulations. An examination of the level of agreement between model predictions and observations of ozone concentrations, however, is not a sufficient method to understand the reasons for this inaccuracy. This is especially true in a non-linear feedback system such as ozone formation where the same ozone prediction can be reached through the combination of various physical and chemical processess. A more meaningful method of model analysis that focuses on theses processes lead to the development of the pyPA (Process Analysis in python) tool. This tool provides a framework for an in-depth analysis of modeling data by quantifying radical budgets, source and fate of ozone precursors, and the physical processes that effect each species. The pyPA tool was used to analyze each simulation scenario of the Houston airshed allowing for a process based intercomparison. An analysis of the radical budget revealed a deficient source of organically derived free radicals (HO2 and OH.) in the modeling system. Atmospheric reactivity and consequently ozone formation was limited by lack of radical sources; regardless of the levels of ethylene or propylene introduced into the system. NOx overpredictions by a factor of two further depleted the limited

  17. Bed-load transport modelling by coupling an empirical routing scheme and a hydrological-1-D-hydrodynamic model - case study application for a large alpine valley

    NASA Astrophysics Data System (ADS)

    Gems, B.; Achleitner, S.; Plörer, M.; Schöberl, F.; Huttenlau, M.; Aufleger, M.

    2012-12-01

    Sediment transport in mountain rivers and torrents is a substantial process within the assessment of flood related hazard potential and vulnerability in alpine catchments. Focusing on fluvial transport processes, river bed erosion and deposition considerably affects the extent of inundation. The present work deals with scenario-specific bed-load transport modelling in a large alpine valley in the Austrian Alps. A routing scheme founding on empirical equations for the calculation of transport capacities, incipient motion conditions and drag forces is set up and applied to the case study area for two historic flood events. The required hydraulic data result from a distributed hydrological-1-D-hydraulic model. Hydraulics and bed-load transport are simulated sequentially providing a technically well-founded and feasible methodology for the estimation of bed-load transport rates during flood events.

  18. Issues related to aircraft take-off plumes in a mesoscale photochemical model.

    PubMed

    Bossioli, Elissavet; Tombrou, Maria; Helmis, Costas; Kurtenbach, Ralf; Wiesen, Peter; Schäfer, Klaus; Dandou, Aggeliki; Varotsos, Kostas V

    2013-07-01

    The physical and chemical characteristics of aircraft plumes at the take-off phase are simulated with the mesoscale CAMx model using the individual plume segment approach, in a highly resolved domain, covering the Athens International Airport. Emission indices during take-off measured at the Athens International Airport are incorporated. Model predictions are compared with in situ point and path-averaged observations (NO, NO₂) downwind of the runway at the ground. The influence of modeling process, dispersion properties and background air composition on the chemical evolution of the aircraft plumes is examined. It is proven that the mixing properties mainly determine the plume dispersion. The initial plume properties become significant for the selection of the appropriate vertical resolution. Besides these factors, the background NOx and O₃ concentration levels control NOx distribution and their conversion to nitrogen reservoir species.

  19. Utilization of UARS Data in Validation of Photochemical and Dynamical Mechanism in Stratospheric Models

    NASA Technical Reports Server (NTRS)

    Rodriquez, Jose M.; Hu, Wenjie; Ko, Malcolm K. W.

    1995-01-01

    We proposed model-data intercomparison studies for UARS data. In the past three months, we have been working on constructing analysis tools to diagnose the UARS data. The 'Trajectory mapping' technique, which was developed by Morris (1994), is adaptable to generate synoptic maps of trace gas data from asynoptic observations. An in-house trajectory model (kinematic methods following Merrill et al., 1986 and Pickering et al., 1994) has been developed in AER under contract with NASA/ACMAP and the trajectory mapping tool has been applied to analyze UARS measurement.

  20. Photochemical Synthesis of Nepetanudone.

    PubMed

    Jayan, Swapna; Jones, Paul B

    2015-06-26

    Nepetanudone and nepetaparnone have been suspected of being the products of a photochemical dimerization of nepetapyrone. Both are natural products found in a variety of Nepeta species. The synthesis of (±)-nepetapyrone and subsequent photochemical experiments are described. (±)-Nepetanudone was produced upon irradiation of (±)-nepetapyrone, while (±)-nepetaparnone, a diastereomer of nepetanudone, was not observed. PMID:25978278

  1. PHOTOCHEMICAL SIMULATIONS OF POINT SOURCE EMISSIONS WITH THE MODELS-3 CMAQ PLUME-IN-GRID APPROACH

    EPA Science Inventory

    A plume-in-grid (PinG) approach has been designed to provide a realistic treatment for the simulation the dynamic and chemical processes impacting pollutant species in major point source plumes during a subgrid scale phase within an Eulerian grid modeling framework. The PinG sci...

  2. ESTIMATING TRANSPORT AND DEPOSITION OF A SEMI-VOLATILE COMPOUND WITH A REGIONAL PHOTOCHEMICAL MODEL

    EPA Science Inventory

    To simulate the fate of compounds that are considered semi-volatile and toxic, we have modified a model for regional particulate matter. Our changes introduce a semi-volatile compound into the atmosphere as gaseous emissions from an area source. Once emitted, the gas can transf...

  3. SIMULATIONS OF AEROSOLS AND PHOTOCHEMICAL SPECIES WITH THE CMAQ PLUME-IN-GRID MODELING SYSTEM

    EPA Science Inventory

    A plume-in-grid (PinG) method has been an integral component of the CMAQ modeling system and has been designed in order to realistically simulate the relevant processes impacting pollutant concentrations in plumes released from major point sources. In particular, considerable di...

  4. Photochemical modeling of the Ozark isoprene volcano: MEGAN, BEIS, and their impacts on air quality predictions.

    PubMed

    Carlton, Annmarie G; Baker, Kirk R

    2011-05-15

    Biogenic volatile organic compounds (BVOCs) contribute substantially to atmospheric carbon, exerting influence on air quality and climate. Two widely used models, the Model of Emissions of Gases and Aerosols from Nature (MEGAN) and the Biogenic Emission Inventory System (BEIS) are employed to generate emissions for application in the CMAQ air quality model. Predictions of isoprene, monoterpenes, ozone, formaldehyde, and secondary organic carbon (SOC) are compared to surface and aloft measurements made during an intensive study in the Ozarks, a large isoprene emitting region. MEGAN and BEIS predict spatially similar emissions but magnitudes differ. The total VOC reactivity of the emissions, as developed for the CB05 gas-phase chemical mechanism, is a factor of 2 different between the models. Isoprene estimates by CMAQ-MEGAN are higher and more variable than surface and aloft measurements, whereas CMAQ-BEIS predictions are lower. CMAQ ozone predictions are similar and compare well with measurements using either MEGAN or BEIS. However, CMAQ-MEGAN overpredicts formaldehyde. CMAQ-BEIS SOC predictions are lower than observational estimates for every sample. CMAQ-MEGAN underpredicts SOC ∼ 80% of the time, despite overprediction of precursor VOCs. CMAQ-MEGAN isoprene predictions improve when prognostically predicted solar radiation is replaced with the GEWEX satellite product. CMAQ-BEIS does not exhibit similar photosensitivity. PMID:21520901

  5. Seasonal versus Episodic Performance Evaluation for an Eulerian Photochemical Air Quality Model

    SciTech Connect

    Jin, Ling; Brown, Nancy J.; Harley, Robert A.; Bao, Jian-Wen; Michelson, Sara A; Wilczak, James M

    2010-04-16

    This study presents detailed evaluation of the seasonal and episodic performance of the Community Multiscale Air Quality (CMAQ) modeling system applied to simulate air quality at a fine grid spacing (4 km horizontal resolution) in central California, where ozone air pollution problems are severe. A rich aerometric database collected during the summer 2000 Central California Ozone Study (CCOS) is used to prepare model inputs and to evaluate meteorological simulations and chemical outputs. We examine both temporal and spatial behaviors of ozone predictions. We highlight synoptically driven high-ozone events (exemplified by the four intensive operating periods (IOPs)) for evaluating both meteorological inputs and chemical outputs (ozone and its precursors) and compare them to the summer average. For most of the summer days, cross-domain normalized gross errors are less than 25% for modeled hourly ozone, and normalized biases are between {+-}15% for both hourly and peak (1 h and 8 h) ozone. The domain-wide aggregated metrics indicate similar performance between the IOPs and the whole summer with respect to predicted ozone and its precursors. Episode-to-episode differences in ozone predictions are more pronounced at a subregional level. The model performs consistently better in the San Joaquin Valley than other air basins, and episodic ozone predictions there are similar to the summer average. Poorer model performance (normalized peak ozone biases <-15% or >15%) is found in the Sacramento Valley and the Bay Area and is most noticeable in episodes that are subject to the largest uncertainties in meteorological fields (wind directions in the Sacramento Valley and timing and strength of onshore flow in the Bay Area) within the boundary layer.

  6. A Real-Time Eulerian Photochemical Model Forecast System: Overview and Initial Ozone Forecast Performance in the Northeast U.S. Corridor.

    NASA Astrophysics Data System (ADS)

    McHenry, John N.; Ryan, William F.; Seaman, Nelson L.; Coats, Carlie J., Jr.; Pudykiewicz, Janusz; Arunachalam, Sarav; Vukovich, Jeffery M.

    2004-04-01

    This article reports on the first implementation of a real-time Eulerian photochemical model forecast system in the United States. The forecast system consists of a tripartite set of one-way coupled models that run routinely on a parallel microprocessor supercomputer. The component models are the fifth-generation Pennsylvania State University (PSU) NCAR Mesoscale Model (MM5), the Sparse-Matrix Operator Kernel for Emissions (SMOKE) model, and the Multiscale Air Quality Simulation Platform—Real Time (MAQSIP-RT) photochemical model. Though the system has been run in real time since the summer of 1998, forecast results obtained during August of 2001 at 15-km grid spacing over New England and the northern mid-Atlantic—conducted as part of an “early start” NOAA air quality forecasting initiative—are described in this article.The development and deployment of a real-time numerical air quality prediction (NAQP) system is technically challenging. MAQSIP-RT contains a full pho-tochemical oxidant gas-phase chemical mechanism together with transport, dry deposition, and sophisticated cloud treatment. To enable the NAQP system to run fast enough to meet operational forecast deadlines, significant work was devoted to data flow design and software engineering of the models and control codes. The result is a turnkey system now in use by a number of agencies concerned with operational ozone forecasting.Results of the chosen episode are compared against three other models/modeling techniques: a traditional statistical model used routinely in the metropolitan Philadelphia, Pennsylvania, area, a set of publicly issued forecasts in the northeastern United States, and the operational Canadian Hemispheric and Regional Ozone and NOx System (CHRONOS) model. For the test period it is shown that the NAQP system performs as well or better than all of these operational approaches. Implications for the impending development of an operational U.S. ozone forecasting capability are

  7. A photochemical model for the Venus atmosphere at 47-112 km

    NASA Astrophysics Data System (ADS)

    Krasnopolsky, Vladimir A.

    2012-03-01

    The model is intended to respond to the recent findings in the Venus atmosphere from the Venus Express and ground-based submillimeter and infrared observations. It extends down to 47 km for comparison with the kinetic model for the lower atmosphere (Krasnopolsky, V.A. [2007]. Icarus 191, 25-37) and to use its results as the boundary conditions. The model numerical accuracy is significantly improved by reduction of the altitude step from 2 km in the previous models to 0.5 km. Effects of the NUV absorber are approximated using the detailed photometric observations at 365 nm from Venera 14. The H2O profile is not fixed but calculated in the model. The model involves odd nitrogen and OCS chemistries based on the detected NO and OCS abundances. The number of the reactions is significantly reduced by removing of unimportant processes. Column rates for all reactions are given, and balances of production and loss may be analyzed in detail for each species. The calculated vertical profiles of CO, H2O, HCl, SO2, SO, OCS and of the O2 dayglow at 1.27 μm generally agree with the existing observational data; some differences are briefly discussed. The OH dayglow is ∼30 kR, brighter than the OH nightglow by a factor of 4. The H + O3 process dominates in the nightglow excitation and O + HO2 in the dayglow, because of the reduction of ozone by photolysis. A key feature of Venus’ photochemistry is the formation of sulfuric acid in a narrow layer near the cloud tops that greatly reduces abundances of SO2 and H2O above the clouds. Delivery of SO2 and H2O through this bottleneck determines the chemistry and its variations above the clouds. Small variations of eddy diffusion near 60 km result in variations of SO2, SO, and OCS at and above 70 km within a factor of ∼30. Variations of the SO2/H2O ratio at the lower boundary have similar but weaker effect: the variations within a factor of ∼4 are induced by changes of SO2/H2O by ±5%. Therefore the observed variations of the

  8. THE DUST PROPERTIES OF z {approx} 3 MIPS-LBGs FROM PHOTOCHEMICAL MODELS

    SciTech Connect

    Fan, X. L.; Pipino, A.; Matteucci, F.

    2013-05-10

    The stacked spectral energy distribution (SED) 24 {mu}m Lyman break galaxies (MIPS-LBGs) detected by the Multiband Imaging Photometer for Spitzer (MIPS) is fitted by means of the spectrophotometric model GRASIL with an ''educated'' fitting approach which benefits from the results of chemical evolution models. The star formation rate-age-metallicity degeneracies of SED modeling are broken by using star formation history (SFH) and chemical enrichment history suggested by chemical models. The dust mass, dust abundance, and chemical pattern of elements locked in the dust component are also directly provided by chemical models. Using our new ''fitting'' approach, we derive the total mass M{sub tot}, stellar mass M{sub *}, gas mass M{sub g} , dust mass M{sub d} , age, and star formation rate (SFR) of the stacked MIPS-LBG in a self-consistent way. Our estimate of M{sub *} = 8 Multiplication-Sign 10{sup 10} of the stacked MIPS-LBG agrees with other works based on UV-optical SED fitting. We suggest that the MIPS-LBGs at z {approx} 3 are young (0.3-0.6 Gyr), massive (M{sub tot} {approx} 10{sup 11} M{sub Sun }), dusty (M{sub d} {approx} 10{sup 8} M{sub Sun }), and metal-rich (Z {approx} Z{sub Sun }) progenitors of elliptical galaxies undergoing a strong burst of star formation (SFR {approx} 200 M{sub Sun} yr{sup -1}). Our estimate of M{sub d} = 7 Multiplication-Sign 10{sup 7} M{sub Sun} of the stacked MIPS-LBG is about a factor of eight lower than the estimated value based on single temperature graybody fitting, suggesting that self-consistent SED models are needed to estimate dust mass. By comparing with Milky Way molecular cloud and dust properties, we suggest that denser and dustier environments and flatter dust size distribution are likely in high-redshift massive star-forming galaxies. These dust properties, as well as the different types of SFHs, can cause different SED shapes between high-redshift star-forming ellipticals and local starburst templates. This discrepancy

  9. A Photochemical Model for the Venus Atmosphere at 47-112 km

    NASA Astrophysics Data System (ADS)

    Krasnopolsky, V. A.

    2011-12-01

    The model is intended to respond to the recent findings in the Venus atmosphere from the Venus Express and ground-based submillimeter and infrared observations. It extends down to 47 km for comparison with the kinetic model for the lower atmosphere (Krasnopolsky, V.A., 2007, Icarus 191, 25-37) and to use its data as the boundary conditions. The model numerical accuracy is significantly improved by reduction of the altitude step from 2 km in the previous models to 0.5 km. Effects of the NUV absorber are approximated using the detailed photometric observations at 365 nm from Venera 14. The H2O profile is not fixed but calculated in the model. The model involves odd nitrogen and OCS chemistries based on the detected NO and OCS abundances. The number of the reactions is significantly reduced by removing of unimportant processes. Column rates for all reactions are given, and balances of production and loss may be analyzed in detail for each species. The calculated vertical profiles of CO, H2O, HCl, SO2, SO, OCS and of the O2 dayglow at 1.27 μm generally agree with the existing observational data; some differences are briefly discussed. The OH dayglow is ~30 kR, brighter than the OH nightglow by a factor of 4. The H + O3 process dominates in the nightglow excitation and O + HO2 in the dayglow, because of the reduction of ozone by photolysis. The model is extremely sensitive to small variations of eddy diffusion near 60 km: the calculated variations of SO2, SO, and OCS at and above the cloud tops are within a factor of ~30. Variations of the SO2/H2O ratio at the lower boundary have similar but weaker effect: variations within a factor of ~4 are induced by changes of SO2/H2O by ±5%. Therefore the observed variations of sulfur species originate from minor variations of the atmospheric dynamics near the cloud layer and do not require volcanism. NO cycles are responsible for production of a quarter of O2, SO2, and Cl2 in the atmosphere. A net effect of photochemistry in the

  10. Utilization of UARS Data in Validation of Photochemical and Dynamical Mechanism in Stratospheric Models

    NASA Technical Reports Server (NTRS)

    Rodriquez, Jose M.; Hu, Wenjie; Ko, Malcolm K. W.

    1995-01-01

    UARS data sets provide global coverage for the distributions of trace gases, which gives us an excellent chance to utilize the data set for model-data intercomparison studies. In the past three months, we have been working on the comparisons of the UARS data between 1992 (a half year after the Pinatubo eruption) and 1993 (one and a half year after the eruption) in an attempt to see how the Pinatubo volcanic eruption may have impacted stratospheric chemistry.

  11. Ice Concentration Retrieval in Stratiform Mixed-phase Clouds Using Cloud Radar Reflectivity Measurements and 1D Ice Growth Model Simulations

    SciTech Connect

    Zhang, Damao; Wang, Zhien; Heymsfield, Andrew J.; Fan, Jiwen; Luo, Tao

    2014-10-01

    Measurement of ice number concentration in clouds is important but still challenging. Stratiform mixed-phase clouds (SMCs) provide a simple scenario for retrieving ice number concentration from remote sensing measurements. The simple ice generation and growth pattern in SMCs offers opportunities to use cloud radar reflectivity (Ze) measurements and other cloud properties to infer ice number concentration quantitatively. To understand the strong temperature dependency of ice habit and growth rate quantitatively, we develop a 1-D ice growth model to calculate the ice diffusional growth along its falling trajectory in SMCs. The radar reflectivity and fall velocity profiles of ice crystals calculated from the 1-D ice growth model are evaluated with the Atmospheric Radiation Measurements (ARM) Climate Research Facility (ACRF) ground-based high vertical resolution radar measurements. Combining Ze measurements and 1-D ice growth model simulations, we develop a method to retrieve the ice number concentrations in SMCs at given cloud top temperature (CTT) and liquid water path (LWP). The retrieved ice concentrations in SMCs are evaluated with in situ measurements and with a three-dimensional cloud-resolving model simulation with a bin microphysical scheme. These comparisons show that the retrieved ice number concentrations are within an uncertainty of a factor of 2, statistically.

  12. 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

  13. Regional modeling of natural dust in the United State: Source emission, transport, and photochemical impact

    NASA Astrophysics Data System (ADS)

    Tong, D. Q.; Mathur, R.; Mobley, D.; Wong, D.; Yu, S.

    2008-12-01

    We developed a dust emission module to estimate the wind-blown dust emissions from dessert and agricultural land using local wind speed, threshold wind speed to initiate erosion, soil texture and moisture, land use type, and vegetation coverage. The estimated dust is then partitioned to create a fraction of the total sediment mobilized by the wind for vertical transport and subsequent regional circulation. This dust module also included detailed chemical speciation and size distribution, and a geographic filter to eliminate unrealistic emission sources (e.g., mountain peaks with dry soil and strong winds). We then couple the dust module with a regional air quality model CMAQ to: (1) study if the WRF-CMAQ national air quality forecasting system can accurately predict major dust storms occurring in the United States; 2) estimate the annual budget of natural dust emissions from agricultural and dessert lands and their relative importance for total PM2.5 over different U.S. regions; and 3) examine the effects of dust emissions on photolysis rates and consequently on levels of tropospheric O3 and atmospheric oxidants.

  14. Photochemically induced spinal ischaemia: a model of spinal cord trauma in the rat

    NASA Astrophysics Data System (ADS)

    Olby, Natasha J.; Blakemore, W. F.

    1995-05-01

    Focal thrombosis was induced in the dorsal funiculus of the rat spinal cord by exposing the cord to light following intravenous injection of the photoactive dye, rose bengal. The light source was a 599 standing wave dye laser, pumped by an Innova 70 - 4 argon ion laser (Coherent Ltd, Cambridge, UK) and the light was delivered to the operative site via an optical fiber. The histological characteristics of the development and resolution of the lesion have been studied. Forty rats were examined with light and electron microscopy at various time points between 30 minutes and one month after irradiation and the lesion length was measured. Platelet aggregation, increased extracellular space in the white matter and vacuolation of the neurones and glia of the grey matter were present 30 minutes after injury. Progressive necrosis of the white and grey matter developed over the subsequent 24 hours to produce a fusiform lesion that occupied the dorsal funiculus and dorsal horns of the spinal cord at its center and tapered cranially and caudally along the dorsal columns for a total distance of seven millimeters. By one month after injury the area of necrosis had become a cyst lined by astrocytes ventrolaterally and meningeal cells dorsally. Measurements of lesion length showed a variability of 26%. This model of spinal cord trauma produces a lesion that is sufficiently reproducible to be suitable for performing studies aimed at tissue preservation and repair.

  15. Structural and molecular micropatterning of dual hydrogel constructs for neural growth models using photochemical strategies

    PubMed Central

    Horn-Ranney, Elaine L.; Curley, J. Lowry; Catig, Gary C.; Huval, Renee M.; Moore, Michael J.

    2013-01-01

    Chemotactic and haptotactic cues guide neurite growth toward appropriate targets by eliciting attractive or repulsive responses from the neurite growth cones. Here we present an integrated system allowing both structural and molecular micropatterning in dual hydrogel 3D tissue culture constructs for directing in vitro neuronal growth via structural, immobilized, and soluble guidance cues. These tissue culture constructs were fabricated into specifiable geometries using UV light reflected from a digital micromirror device acting as a dynamic photomask, resulting in dual hydrogel constructs consisting of a cell growth-restrictive polyethylene glycol (PEG) boundary with a cell growth-permissive interior of photolabile α-carboxy-2-nitrobenzyl cysteine agarose (CNBC-A). This CNBC-A was irradiated in discrete areas and subsequently tagged with maleimide-conjugated biomolecules. Fluorescent microscopy showed biomolecule binding only at the sites of irradiation in CNBC-A, and confocal microscopy confirmed 3D binding through the depth of the construct. Neurite outgrowth studies showed contained growth throughout CNBC-A. The diffusion rate of soluble fluorescein-bovine serum albumin through the dual hydrogel construct was controlled by PEG concentration and the distance between the protein source and the agarose interior; the timescale for a transient protein gradient changed with these parameters. These findings suggest the dual hydrogel system is a usefulplatform for manipulating a 3D in vitro microenvironment with patterned structural and molecular guidance cues for modeling neural growth and guidance. PMID:22903647

  16. Photochemical numerics for global-scale modeling: Fidelity and GCM testing

    SciTech Connect

    Elliott, S.; Jim Kao, Chih-Yue; Zhao, X.

    1995-03-01

    Atmospheric photochemistry lies at the heart of global-scale pollution problems, but it is a nonlinear system embedded in nonlinear transport and so must be modeled in three dimensions. Total earth grids are massive and kinetics require dozens of interacting tracers, taxing supercomputers to their limits in global calculations. A matrix-free and noniterative family scheme is described that permits chemical step sizes an order of magnitude or more larger than time constants for molecular groupings, in the 1-h range used for transport. Families are partitioned through linearized implicit integrations that produce stabilizing species concentrations for a mass-conserving forward solver. The kinetics are also parallelized by moving geographic loops innermost and changes in the continuity equations are automated through list reading. The combination of speed, parallelization and automation renders the programs naturally modular. Accuracy lies within 1% for all species in week-long fidelity tests. A 50-species, 150-reaction stratospheric module tested in a spectral GCM benchmarks at 10 min CPU time per day and agrees with lower-dimensionality simulations. Tropospheric nonmethane hydrocarbon chemistry will soon be added, and inherently three-dimensional phenomena will be investigated both decoupled from dynamics and in a complete chemical GCM. 225 refs., 11 figs., 2 tabs.

  17. Photochemical smog modeling for assessment of potential impacts of different management strategies on air quality of the Bangkok Metropolitan Region, Thailand.

    PubMed

    Oanh, Nguyen Thi Kim; Zhang, Baoning

    2004-10-01

    A photochemical smog model system, the Variable-Grid Urban Airshed Model/Systems Applications International Mesoscale Model (UAM-V/SAIMM), was used to investigate photochemical pollution in the Bangkok Metropolitan Region (BMR). The model system was first applied to simulate a historical photochemical smog episode of two days (January 13-14, 1997) using the 1997 anthropogenic emission database available at the Pollution Control Department and an estimated biogenic emission. The output 1-hr ozone (O3) for BMR, however, did not meet the U.S. Environmental Protection Agency suggested performance criteria. The simulated minimum and maximum O3 values in the domain were much higher than the observations. Multiple model runs with different precursor emission reduction scenarios showed that the best model performance with the simulated 1-hr O3 meeting all the criteria was obtained when the volatile organic compound (VOC) and oxides of nitrogen (NOx) emission from mobile source reduced by 50% and carbon monoxide by 20% from the original database. Various combinations of anthropogenic and biogenic emissions in Bangkok and surrounding provinces were simulated to assess the contribution of different sources to O3 pollution in the city. O3 formation in Bangkok was found to be more VOC-sensitive than NOx-sensitive. To attain the Thailand ambient air quality standard for 1-hr O3 of 100 ppb, VOC emission in BMR should be reduced by 50-60%. Management strategies considered in the scenario study consist of Stage I, Stage II vapor control, replacement of two-stroke by four-stroke motorcycles, 100% compressed natural gas bus, 100% natural gas-fired power plants, and replacement of methyltertiarybutylether by ethanol as an additive for gasoline.

  18. A novel 1D/2D model for simulating conjugate heat transfer applied to flow boiling in tubes with external fins

    NASA Astrophysics Data System (ADS)

    Ocłoń, Paweł; Łopata, Stanisław; Nowak, Marzena

    2014-09-01

    This study presents a novel, simplified model for the time-efficient simulation of transient conjugate heat transfer in round tubes. The flow domain and the tube wall are modeled in 1D and 2D, respectively and empirical correlations are used to model the flow domain in 1D. The model is particularly useful when dealing with complex physics, such as flow boiling, which is the main focus of this study. The tube wall is assumed to have external fins. The flow is vertical upwards. Note that straightforward computational fluid dynamics (CFD) analysis of conjugate heat transfer in a system of tubes, leads to 3D modeling of fluid and solid domains. Because correlation is used and dimensionality reduced, the model is numerically more stable and computationally more time-efficient compared to the CFD approach. The benefit of the proposed approach is that it can be applied to large systems of tubes as encountered in many practical applications. The modeled equations are discretized in space using the finite volume method, with central differencing for the heat conduction equation in the solid domain, and upwind differencing of the convective term of the enthalpy transport equation in the flow domain. An explicit time discretization with forward differencing was applied to the enthalpy transport equation in the fluid domain. The conduction equation in the solid domain was time discretized using the Crank-Nicholson scheme. The model is applied in different boundary conditions and the predicted boiling patterns and temperature fields are discussed.

  19. A novel 1D/2D model for simulating conjugate heat transfer applied to flow boiling in tubes with external fins

    NASA Astrophysics Data System (ADS)

    Ocłoń, Paweł; Łopata, Stanisław; Nowak, Marzena

    2015-04-01

    This study presents a novel, simplified model for the time-efficient simulation of transient conjugate heat transfer in round tubes. The flow domain and the tube wall are modeled in 1D and 2D, respectively and empirical correlations are used to model the flow domain in 1D. The model is particularly useful when dealing with complex physics, such as flow boiling, which is the main focus of this study. The tube wall is assumed to have external fins. The flow is vertical upwards. Note that straightforward computational fluid dynamics (CFD) analysis of conjugate heat transfer in a system of tubes, leads to 3D modeling of fluid and solid domains. Because correlation is used and dimensionality reduced, the model is numerically more stable and computationally more time-efficient compared to the CFD approach. The benefit of the proposed approach is that it can be applied to large systems of tubes as encountered in many practical applications. The modeled equations are discretized in space using the finite volume method, with central differencing for the heat conduction equation in the solid domain, and upwind differencing of the convective term of the enthalpy transport equation in the flow domain. An explicit time discretization with forward differencing was applied to the enthalpy transport equation in the fluid domain. The conduction equation in the solid domain was time discretized using the Crank-Nicholson scheme. The model is applied in different boundary conditions and the predicted boiling patterns and temperature fields are discussed.

  20. Spring phytoplankton bloom and associated lower trophic level food web dynamics on Georges Bank: 1-D and 2-D model studies

    NASA Astrophysics Data System (ADS)

    Ji, Rubao; Chen, Changsheng; Franks, Peter J. S.; Townsend, David W.; Durbin, Edward G.; Beardsley, Robert C.; Gregory Lough, R.; Houghton, Robert W.

    2006-11-01

    A coupled biological-physical model was developed and tested in one-dimensional (1-D, vertical) and two-dimensional (2-D, cross-sectional) domains to examine the spring phytoplankton bloom and associated lower trophic level food web dynamics on Georges Bank (GB). The biological model consists of nine compartments: dissolved inorganic nutrients (nitrate, ammonium and silicate), phytoplankton (large and small size classes), zooplankton (large and small size classes), and detrital organic nitrogen and biogenic silica. The 1-D model results showed that in the shallow central bank, the timing and duration of spring blooms are closely linked to the light intensity and its downward penetration, while the intensity of blooms is regulated by initial nutrient concentrations and zooplankton grazing pressure. In the deeper flank area, the bloom dynamics is directly controlled by the seasonal development of stratification. The interactions between the shallow and deep regions of the bank were examined by a 2-D model, which showed that the cross-sectional gradients of biological quantities were caused mainly by the shallow-deep topographic transition and tidal mixing. Between the shallow and deep regions, a possible phytoplankton maximum concentration area was seen in the model at the time before the formation of the tidal-mixing front. Once the tidal-mixing front was established during late spring, the model showed a relatively high concentration of phytoplankton near the front as the result of the tidally driven up-front nutrient flux. Both the 1-D and 2-D models captured the basic seasonal cycles of the nutrients and phytoplankton in the central bank, but failed to reproduce those patterns in the deep flank regions, where horizontal advection might play a significant role.

  1. Testing the SH1D Assumption for Geotechnical Site and Basin Response Using 3D Finite Difference Modeling

    NASA Astrophysics Data System (ADS)

    Rodgers, A. J.; Pitarka, A.

    2015-12-01

    Current state-of-practice of geotechnical site response and soil-structure analyses generally assume a vertically propagating horizontally polarized plane wave is incident on a plane-layered (one-dimensional) soil column. Ground motions representing the wavefield incident to the bedrock base of the soil column are developed from observed and sometimes scaled time-histories or synthesized by various methods. The site-specific ground motion at the surface is then computed from the response of the soil column to the bedrock incident wavefield, possibly including non-linear response of the geotechnical near-surface. This is the so-called SH1D assumption. While this approach is widely used, it ignores important complexities of the incident wavefield. Specifically, the standard approach assumes: 1) the incident wavefield is only composed of vertically propagating body waves; 2) ignores oblique incidence; and 3) neglects the three-component nature of the wavefield that includes surface waves and rotational motions. Surface waves often carry much of the seismic energy and can excite all three components of motion. Therefore, it seems most appropriate to include the most representative characterization of the incident wavefield in site-specific analyses. We are performing parametric studies with three-dimensional (3D) elastic finite difference simulations to compare the near-surface response of sedimentary basins to horizontally polarized planes (arbitrary incident) and point source (double couple) earthquakes. Simulations involve simple, parametric representations of basin geometries and layered material properties of the sedimentary basin and surrounding hard rock. We compare the frequency-dependent site response for different excitations and attempt to quantify the differences between the plane-wave and fully 3D basin response.

  2. Photochemical Energy Conversion.

    ERIC Educational Resources Information Center

    Batschelet, William H.; George, Arnold

    1986-01-01

    Describes procedures for two demonstrations: (1) photochemical energy conversion using ferric oxalate actinometry and (2) liquification of gases using Freon 114. Safety precautions are given for both demonstrations, as are procedures and material specifications. (JM)

  3. The photochemical smog pollution in Beijing

    SciTech Connect

    Xiaoyan Tang

    1996-12-31

    The photochemical smog pollution in summer time has been studied in Beijing area. The systematic field measurements associated with meteorological observation was conducted in 1986, 1987 and 1993. The spatial and temporal distribution of O{sub 3} and specific formation condition of photochemical smog, including vehicle emission sources and meteorological factors etc. in summer were studied and discussed. The prediction of O{sub 3} ambient air concentration in Beijing area in 2000, 2005 and 2010 by model simulation were also discussed.

  4. Pulse wave propagation in a model human arterial network: Assessment of 1-D visco-elastic simulations against in vitro measurements.

    PubMed

    Alastruey, Jordi; Khir, Ashraf W; Matthys, Koen S; Segers, Patrick; Sherwin, Spencer J; Verdonck, Pascal R; Parker, Kim H; Peiró, Joaquim

    2011-08-11

    The accuracy of the nonlinear one-dimensional (1-D) equations of pressure and flow wave propagation in Voigt-type visco-elastic arteries was tested against measurements in a well-defined experimental 1:1 replica of the 37 largest conduit arteries in the human systemic circulation. The parameters required by the numerical algorithm were directly measured in the in vitro setup and no data fitting was involved. The inclusion of wall visco-elasticity in the numerical model reduced the underdamped high-frequency oscillations obtained using a purely elastic tube law, especially in peripheral vessels, which was previously reported in this paper [Matthys et al., 2007. Pulse wave propagation in a model human arterial network: Assessment of 1-D numerical simulations against in vitro measurements. J. Biomech. 40, 3476-3486]. In comparison to the purely elastic model, visco-elasticity significantly reduced the average relative root-mean-square errors between numerical and experimental waveforms over the 70 locations measured in the in vitro model: from 3.0% to 2.5% (p<0.012) for pressure and from 15.7% to 10.8% (p<0.002) for the flow rate. In the frequency domain, average relative errors between numerical and experimental amplitudes from the 5th to the 20th harmonic decreased from 0.7% to 0.5% (p<0.107) for pressure and from 7.0% to 3.3% (p<10(-6)) for the flow rate. These results provide additional support for the use of 1-D reduced modelling to accurately simulate clinically relevant problems at a reasonable computational cost.

  5. A new time-dependent analytic model for radiation-induced photocurrent in finite 1D epitaxial diodes.

    SciTech Connect

    Verley, Jason C.; Axness, Carl L.; Hembree, Charles Edward; Keiter, Eric Richard; Kerr, Bert

    2012-04-01

    Photocurrent generated by ionizing radiation represents a threat to microelectronics in radiation environments. Circuit simulation tools such as SPICE [1] can be used to analyze these threats, and typically rely on compact models for individual electrical components such as transistors and diodes. Compact models consist of a handful of differential and/or algebraic equations, and are derived by making simplifying assumptions to any of the many semiconductor transport equations. Historically, many photocurrent compact models have suffered from accuracy issues due to the use of qualitative approximation, rather than mathematically correct solutions to the ambipolar diffusion equation. A practical consequence of this inaccuracy is that a given model calibration is trustworthy over only a narrow range of operating conditions. This report describes work to produce improved compact models for photocurrent. Specifically, an analytic model is developed for epitaxial diode structures that have a highly doped subcollector. The analytic model is compared with both numerical TCAD calculations, as well as the compact model described in reference [2]. The new analytic model compares well against TCAD over a wide range of operating conditions, and is shown to be superior to the compact model from reference [2].

  6. Comparing and contrasting 2D versus 1D performance modeling in NV-IPM v1.6

    NASA Astrophysics Data System (ADS)

    Hixson, Jonathan G.; Teaney, Brian P.

    2016-05-01

    Version 1.6 of the Night Vision Integrated Performance Model (NV-IPM) introduced two-dimensional Modulation Transfer Function (MTF) and noise signals within the model architecture. These two-dimensional signals enable the model to more accurately treat systems with non-separable MTF components. These non-separable MTF components may be introduced by optical elements, electronic post-processing, or atmospheric effects. In this paper we discuss the differences between the new two-dimensional signal architecture and the one-dimensional separable representation used in earlier versions of the model and highlight some cases which demonstrate the utility of the two-dimensional signals.

  7. Coupling WEPP and 3ST1D models for improved prediction of flow and sediment transport at watershed scales

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Watershed modeling is a key component of watershed management that involves the simulation of hydrological and fluvial processes for predicting flow and sediment transport within a watershed. For practical purposes, most numerical models have been developed to simulate either runoff and soil erosion...

  8. Differences in Water Vapor Radiative Transfer among 1D Models Can Significantly Affect the Inner Edge of the Habitable Zone

    NASA Astrophysics Data System (ADS)

    Yang, Jun; Leconte, Jérémy; Wolf, Eric T.; Goldblatt, Colin; Feldl, Nicole; Merlis, Timothy; Wang, Yuwei; Koll, Daniel D. B.; Ding, Feng; Forget, François; Abbot, Dorian S.

    2016-08-01

    An accurate estimate of the inner edge of the habitable zone is critical for determining which exoplanets are potentially habitable and for designing future telescopes to observe them. Here, we explore differences in estimating the inner edge among seven one-dimensional radiative transfer models: two line-by-line codes (SMART and LBLRTM) as well as five band codes (CAM3, CAM4_Wolf, LMDG, SBDART, and AM2) that are currently being used in global climate models. We compare radiative fluxes and spectra in clear-sky conditions around G and M stars, with fixed moist adiabatic profiles for surface temperatures from 250 to 360 K. We find that divergences among the models arise mainly from large uncertainties in water vapor absorption in the window region (10 μm) and in the region between 0.2 and 1.5 μm. Differences in outgoing longwave radiation increase with surface temperature and reach 10-20 W m-2 differences in shortwave reach up to 60 W m-2, especially at the surface and in the troposphere, and are larger for an M-dwarf spectrum than a solar spectrum. Differences between the two line-by-line models are significant, although smaller than among the band models. Our results imply that the uncertainty in estimating the insolation threshold of the inner edge (the runaway greenhouse limit) due only to clear-sky radiative transfer is ≈10% of modern Earth’s solar constant (i.e., ≈34 W m-2 in global mean) among band models and ≈3% between the two line-by-line models. These comparisons show that future work is needed that focuses on improving water vapor absorption coefficients in both shortwave and longwave, as well as on increasing the resolution of stellar spectra in broadband models.

  9. Status of the solar and infrared radiation submodels in the LLNL 1-D and 2-D chemical-transport models

    SciTech Connect

    Grant, K.E.; Taylor, K.E.; Ellis, J.S.; Wuebbles, D.J.

    1987-07-01

    The authors have implemented a series of state of the art radiation transport submodels in previously developed one dimensional and two dimensional chemical transport models of the troposphere and stratosphere. These submodels provide the capability of calculating accurate solar and infrared heating rates. They are a firm basis for further radiation submodel development as well as for studying interactions between radiation and model dynamics under varying conditions of clear sky, clouds, and aerosols. 37 refs., 3 figs.

  10. Differences in Water Vapor Radiative Transfer among 1D Models Can Significantly Affect the Inner Edge of the Habitable Zone

    NASA Astrophysics Data System (ADS)

    Yang, Jun; Leconte, Jérémy; Wolf, Eric T.; Goldblatt, Colin; Feldl, Nicole; Merlis, Timothy; Wang, Yuwei; Koll, Daniel D. B.; Ding, Feng; Forget, François; Abbot, Dorian S.

    2016-08-01

    An accurate estimate of the inner edge of the habitable zone is critical for determining which exoplanets are potentially habitable and for designing future telescopes to observe them. Here, we explore differences in estimating the inner edge among seven one-dimensional radiative transfer models: two line-by-line codes (SMART and LBLRTM) as well as five band codes (CAM3, CAM4_Wolf, LMDG, SBDART, and AM2) that are currently being used in global climate models. We compare radiative fluxes and spectra in clear-sky conditions around G and M stars, with fixed moist adiabatic profiles for surface temperatures from 250 to 360 K. We find that divergences among the models arise mainly from large uncertainties in water vapor absorption in the window region (10 μm) and in the region between 0.2 and 1.5 μm. Differences in outgoing longwave radiation increase with surface temperature and reach 10–20 W m‑2 differences in shortwave reach up to 60 W m‑2, especially at the surface and in the troposphere, and are larger for an M-dwarf spectrum than a solar spectrum. Differences between the two line-by-line models are significant, although smaller than among the band models. Our results imply that the uncertainty in estimating the insolation threshold of the inner edge (the runaway greenhouse limit) due only to clear-sky radiative transfer is ≈10% of modern Earth’s solar constant (i.e., ≈34 W m‑2 in global mean) among band models and ≈3% between the two line-by-line models. These comparisons show that future work is needed that focuses on improving water vapor absorption coefficients in both shortwave and longwave, as well as on increasing the resolution of stellar spectra in broadband models.

  11. Coupling 1D Navier Stokes equation with autoregulation lumped parameter networks for accurate cerebral blood flow modeling

    NASA Astrophysics Data System (ADS)

    Ryu, Jaiyoung; Hu, Xiao; Shadden, Shawn C.

    2014-11-01

    The cerebral circulation is unique in its ability to maintain blood flow to the brain under widely varying physiologic conditions. Incorporating this autoregulatory response is critical to cerebral blood flow modeling, as well as investigations into pathological conditions. We discuss a one-dimensional nonlinear model of blood flow in the cerebral arteries that includes coupling of autoregulatory lumped parameter networks. The model is tested to reproduce a common clinical test to assess autoregulatory function - the carotid artery compression test. The change in the flow velocity at the middle cerebral artery (MCA) during carotid compression and release demonstrated strong agreement with published measurements. The model is then used to investigate vasospasm of the MCA, a common clinical concern following subarachnoid hemorrhage. Vasospasm was modeled by prescribing vessel area reduction in the middle portion of the MCA. Our model showed similar increases in velocity for moderate vasospasms, however, for serious vasospasm (~ 90% area reduction), the blood flow velocity demonstrated decrease due to blood flow rerouting. This demonstrates a potentially important phenomenon, which otherwise would lead to false-negative decisions on clinical vasospasm if not properly anticipated.

  12. Photochemical grid model performance with varying horizontal grid resolution and sub-grid plume treatment for the Martins Creek near-field SO2 study

    NASA Astrophysics Data System (ADS)

    Baker, Kirk R.; Hawkins, Andy; Kelly, James T.

    2014-12-01

    Near source modeling is needed to assess primary and secondary pollutant impacts from single sources and single source complexes. Source-receptor relationships need to be resolved from tens of meters to tens of kilometers. Dispersion models are typically applied for near-source primary pollutant impacts but lack complex photochemistry. Photochemical models provide a realistic chemical environment but are typically applied using grid cell sizes that may be larger than the distance between sources and receptors. It is important to understand the impacts of grid resolution and sub-grid plume treatments on photochemical modeling of near-source primary pollution gradients. Here, the CAMx photochemical grid model is applied using multiple grid resolutions and sub-grid plume treatment for SO2 and compared with a receptor mesonet largely impacted by nearby sources approximately 3-17 km away in a complex terrain environment. Measurements are compared with model estimates of SO2 at 4- and 1-km resolution, both with and without sub-grid plume treatment and inclusion of finer two-way grid nests. Annual average estimated SO2 mixing ratios are highest nearest the sources and decrease as distance from the sources increase. In general, CAMx estimates of SO2 do not compare well with the near-source observations when paired in space and time. Given the proximity of these sources and receptors, accuracy in wind vector estimation is critical for applications that pair pollutant predictions and observations in time and space. In typical permit applications, predictions and observations are not paired in time and space and the entire distributions of each are directly compared. Using this approach, model estimates using 1-km grid resolution best match the distribution of observations and are most comparable to similar studies that used dispersion and Lagrangian modeling systems. Model-estimated SO2 increases as grid cell size decreases from 4 km to 250 m. However, it is notable that the

  13. Effects of a space modulation on the behavior of a 1D alternating Heisenberg spin-1/2 model.

    PubMed

    Mahdavifar, Saeed; Abouie, Jahanfar

    2011-06-22

    The effects of a magnetic field (h) and a space modulation (δ) on the magnetic properties of a one-dimensional antiferromagnetic-ferromagnetic Heisenberg spin-1/2 model have been studied by means of numerical exact diagonalization of finite size systems, the nonlinear σ model, and a bosonization approach. The space modulation is considered on the antiferromagnetic couplings. At δ = 0, the model is mapped to a gapless Lüttinger liquid phase by increasing the magnetic field. However, the space modulation induces a new gap in the spectrum of the system and the system experiences different quantum phases which are separated by four critical fields. By opening the new gap, a magnetization plateau appears at ½M(sat). The effects of the space modulation are reflected in the emergence of a plateau in other physical functions such as the F-dimer and the bond-dimer order parameters, and the pair-wise entanglement. PMID:21613724

  14. A matrix projection method for on line stable estimation of 1D and 3D shear building models

    NASA Astrophysics Data System (ADS)

    Angel García-Illescas, Miguel; Alvarez-Icaza, Luis

    2016-12-01

    An estimation method is presented that combines the use of recursive least squares, a matrix parameterized model, Gershgorin circles and tridiagonal matrices properties to allow the identification of stable shear building models in the presence of low excitation or low damping. The resultant scheme yields a significant reduction on the number of calculations involved, when compared with the standard vector parameterization based schemes. As real buildings are always open loop stable, the use of an stable shear building model for vibration control purposes allows the design of more robust control laws. Extensive simulation results are presented for cases of low excitation comparing the results of using or not this matrix projection method with different sets of initial conditions. Results indicate that the use of this projection method does not have an influence in the recovery of natural frequencies, however, it significantly improves the recovery of mode shapes.

  15. Improved Large-Scale Inundation Modelling by 1D-2D Coupling and Consideration of Hydrologic and Hydrodynamic Processes - a Case Study in the Amazon

    NASA Astrophysics Data System (ADS)

    Hoch, J. M.; Bierkens, M. F.; Van Beek, R.; Winsemius, H.; Haag, A.

    2015-12-01

    Understanding the dynamics of fluvial floods is paramount to accurate flood hazard and risk modeling. Currently, economic losses due to flooding constitute about one third of all damage resulting from natural hazards. Given future projections of climate change, the anticipated increase in the World's population and the associated implications, sound knowledge of flood hazard and related risk is crucial. Fluvial floods are cross-border phenomena that need to be addressed accordingly. Yet, only few studies model floods at the large-scale which is preferable to tiling the output of small-scale models. Most models cannot realistically model flood wave propagation due to a lack of either detailed channel and floodplain geometry or the absence of hydrologic processes. This study aims to develop a large-scale modeling tool that accounts for both hydrologic and hydrodynamic processes, to find and understand possible sources of errors and improvements and to assess how the added hydrodynamics affect flood wave propagation. Flood wave propagation is simulated by DELFT3D-FM (FM), a hydrodynamic model using a flexible mesh to schematize the study area. It is coupled to PCR-GLOBWB (PCR), a macro-scale hydrological model, that has its own simpler 1D routing scheme (DynRout) which has already been used for global inundation modeling and flood risk assessments (GLOFRIS; Winsemius et al., 2013). A number of model set-ups are compared and benchmarked for the simulation period 1986-1996: (0) PCR with DynRout; (1) using a FM 2D flexible mesh forced with PCR output and (2) as in (1) but discriminating between 1D channels and 2D floodplains, and, for comparison, (3) and (4) the same set-ups as (1) and (2) but forced with observed GRDC discharge values. Outputs are subsequently validated against observed GRDC data at Óbidos and flood extent maps from the Dartmouth Flood Observatory. The present research constitutes a first step into a globally applicable approach to fully couple

  16. Establishing the Capability of a 1D SVAT Modelling Scheme in Predicting Key Biophysical Vegetation Characterisation Parameters

    NASA Astrophysics Data System (ADS)

    Ireland, Gareth; Petropoulos, George P.; Carlson, Toby N.; Purdy, Sarah

    2015-04-01

    Sensitivity analysis (SA) consists of an integral and important validatory check of a computer simulation model before it is used to perform any kind of analysis. In the present work, we present the results from a SA performed on the SimSphere Soil Vegetation Atmosphere Transfer (SVAT) model utilising a cutting edge and robust Global Sensitivity Analysis (GSA) approach, based on the use of the Gaussian Emulation Machine for Sensitivity Analysis (GEM-SA) tool. The sensitivity of the following model outputs was evaluated: the ambient CO2 concentration and the rate of CO2 uptake by the plant, the ambient O3 concentration, the flux of O3 from the air to the plant/soil boundary, and the flux of O3 taken up by the plant alone. The most sensitive model inputs for the majority of model outputs were related to the structural properties of vegetation, namely, the Leaf Area Index, Fractional Vegetation Cover, Cuticle Resistance and Vegetation Height. External CO2 in the leaf and the O3 concentration in the air input parameters also exhibited significant influence on model outputs. This work presents a very important step towards an all-inclusive evaluation of SimSphere. Indeed, results from this study contribute decisively towards establishing its capability as a useful teaching and research tool in modelling Earth's land surface interactions. This is of considerable importance in the light of the rapidly expanding use of this model worldwide, which also includes research conducted by various Space Agencies examining its synergistic use with Earth Observation data towards the development of operational products at a global scale. This research was supported by the European Commission Marie Curie Re-Integration Grant "TRANSFORM-EO". SimSphere is currently maintained and freely distributed by the Department of Geography and Earth Sciences at Aberystwyth University (http://www.aber.ac.uk/simsphere). Keywords: CO2 flux, ambient CO2, O3 flux, SimSphere, Gaussian process emulators

  17. Study of the mixed layer depth variations within the north Indian Ocean using a 1-D model

    NASA Astrophysics Data System (ADS)

    Babu, K. N.; Sharma, Rashmi; Agarwal, Neeraj; Agarwal, Vijay K.; Weller, R. A.

    2004-08-01

    Mixed layer depth (MLD) over the north Indian Ocean (30°S to 30°N and 40°E to 110°E) is computed using the simple one-dimensional model of [1986] forced by satellite-derived parameters (winds and chlorophyll). Seasonal chlorophyll observations obtained from the Coastal Zone Color Scanner allow us to examine how biology interacts with physics in the upper ocean by changing the absorption of light and thus the heating by penetrative solar radiation, an effect we refer to as biological heating. Our analysis focus mainly on two aspects: the importance of varying biology in the model simulations relative to runs with constant biology and secondly, the contribution of biology to the seasonal variability of the MLD. The model results are compared with observations from a surface mooring deployed for 1 year (October 1994 to October 1995) in the central Arabian Sea and also with available conductivity-temperature-depth (CTD) observations from the Arabian Sea during the period 1994-1995. The effect of biological heating on the upper ocean thermal structure in central Arabian Sea is found to be greatest in August. In other months it is either the wind, which is the controlling factor in mixed layer variations, or the density variations due to winter cooling and internal dynamics. A large number of CTD observations collected under the Joint Global Ocean Flux study and World Ocean Circulation Experiment have been used to validate model results. We find an overall improvement by approximately 2-3 m in root-mean-square error in MLD estimates when seasonally varying chlorophyll observations are used in the model.

  18. Integrating models to simulate emergent behaviour: effects of organic matter on soil hydraulics in the ICZ-1D soil-vegetation model

    NASA Astrophysics Data System (ADS)

    Valstar, Johan; Rowe, Ed; Konstantina, Moirogiorgou; Giannakis, Giorgos; Nikolaidis, Nikolaos

    2014-05-01

    explore the complex interactions involved in soil development and change. We were unable to identify appropriately-detailed existing models for plant productivity and for the dynamics of soil aggregation and porosity, and so developed the PROSUM and CAST models, respectively, to simulate these subsystems. Moreover, we applied the BRNS generator to obtain a chemical equilibrium model. These were combined with HYDRUS-1D (water and solute transport), a weathering model (derived from the SAFE model) and a simple bioturbation model. The model includes several feedbacks, such as the effect of soil organic matter on water retention and hydraulic conductivity. We encountered several important challenges when building the integrated model. First, a mechanism was developed that initiates the execution of a single time step for an individual sub-model and accounts for the relevant mass transfers between sub-models. This allows for different and sometimes variable time step duration in the submodels. Secondly, we removed duplicated processes and identified and included relevant solute production terms that had been neglected. The model is being tested against datasets obtained from several Soil Critical Zone Observatories in Europe. This contribution focuses on the design strategy for the model.

  19. Solid-liquid interdiffusion (SLID) bonding in the Au-In system: experimental study and 1D modelling

    NASA Astrophysics Data System (ADS)

    Deillon, Léa; Hessler-Wyser, Aïcha; Hessler, Thierry; Rappaz, Michel

    2015-12-01

    Au-In bonds with a nominal composition of about 60 at.% In were fabricated for use in wafer-level packaging of MEMS. The microstructure of the bonds was studied by scanning electron microscopy. The bond hermeticity was then assessed using oxidation of Cu thin discs predeposited within the sealed packages. The three intermetallic compounds AuIn2, AuIn and Au7In3 were observed. Their thickness evolution during bonding and after subsequent heat treatment was successfully modelled using a finite difference model of diffusion, thermodynamic data and diffusion coefficients calibrated from isothermal diffusion couples. 17% of the packages were hermetic and, although the origin of the leaks could not be clearly identified, it appeared that hermeticity was correlated with the unevenness of the metallisation and/or wafer and the fact that the bonds shrink due to density differences as the relative fractions of the various phases gradually evolve.

  20. The 1D parabolic-parabolic Patlak-Keller-Segel model of chemotaxis: The particular integrable case and soliton solution

    NASA Astrophysics Data System (ADS)

    Shubina, Maria

    2016-09-01

    In this paper, we investigate the one-dimensional parabolic-parabolic Patlak-Keller-Segel model of chemotaxis. For the case when the diffusion coefficient of chemical substance is equal to two, in terms of travelling wave variables the reduced system appears integrable and allows the analytical solution. We obtain the exact soliton solutions, one of which is exactly the one-soliton solution of the Korteweg-de Vries equation.

  1. 1-D Transient Thermal Modeling of an Ablative Material (MCC-1) Exposed to a Simulated Convective Titan 4 Launch Environment

    NASA Technical Reports Server (NTRS)

    Reinarts, Thomas R.; Crain, William K.; Stuckey, C. Irvin; Palko, Richard L.

    1998-01-01

    The purpose of the work is to demonstrate that the flat test panel substrate temperatures are consistent with analysis predictions for MCC-1 applied to a aluminum substrate. The testing was performed in an aerothermal facility on samples of three different thicknesses of MCC-1 on an aluminum substrate. The results of the test were compared with a Transient Thermal model. The key assumptions of the Transient Thermal model were: (1) a one-dimensional heat transfer; (2) a constant ablation recession rate (determined from pre and post-test measurements); (3) ablation temperature of 540 degrees F; (4) Char left behind the ablation front; and (5) temperature jump correction for incident heat transfer coefficient. Two methods were used to model the heating of bare MCC-1: (1) Directly input surface temperature as a function of time; and (2) Aerothermal heating using calibration plate data and subtracting the radiation losses to tunnel walls. The results are presented as graphs. This article is presented in Viewgraph format.

  2. The (O1D) 630.0 nm thermospheric dayglow measured by WINDII and modeled by TRANSCAR

    NASA Astrophysics Data System (ADS)

    Culot, F.; Lathuillère, C.; Lilensten, J.; Witasse, O.

    2003-04-01

    A key problem in aeronomic research is the study of airglow emissions. They are observed by a large range of techniques such as rockets, ground-based and space instruments. They provide a better understanding of the processes controling the state of the upper mesosphere and thermosphere. The modeling of those emissions is a complementary approach. It involves a wide variety of quantities : EUV &UV solar fluxes, photoelectron fluxes, neutral, ion, and electron densities and temperatures, and also chemical reactions rates. In this work we focus on the 630.0 nm emission (red line), using all of the Wind Imaging Interferometer (WINDII) available data from February 1992 to June 1995, in order to obtain the Volume Emission Rate profiles. Thus, we analyse the links between the altitude and intensity of the measured profiles peaks and various geophysical parameters, among them the Solar Zenith Angle and the solar activity. Finally, we compare our results with those given by the TRANSCAR model which allows us to adjust our modeling of the upper atmosphere and gives rise to a better understanding of the dayglow emissions.

  3. Creating Flood Inundation Maps Using 1D Hydrologic Model and GIS for Lower Meric River Basin, Turkey

    NASA Astrophysics Data System (ADS)

    Sonmez, O.; Dogan, E.; Demir, I.

    2012-12-01

    In Turkey, one of the areas facing the danger of flooding is Lower Meric River basin, the part between Edirne and Enos, Turkey. Despite being in the flood zone, the region is used widely as an agricultural and settlement land. The State Hydraulic Works (DSI) has built levees to prevent flood damages on the Lower Evros River Basin. However, having floods in the region reaching areas behind levees, clearly showed the need for reviewing and updating the cross-sections of the critical areas in the river bed. In this study, determination of floodplains for various stream-flow values in any cross sections of the river is aimed. The study area is divided into two sections (Study Area 1 & Study Area 2). Available stream flow gauging station data, which is located in study areas, are used in model. Model created using HEC-RAS, is calibrated with 2006 flood which occurred in the study area. After calibration, floodplain maps are created for 1000 m3/s flows from 1000 to6000 m3/s flows for Study Area1. For Study Area 2, floodplain maps are created for 2, 5, 10, 50, 100 years return periods. The models can illustrate the extent of flooding under different conditions allowing residents in the area to see how predicted flood levels could affect their property, and help them make informed decisions.

  4. Volcano inflation prior to an eruption: Numerical simulations based on a 1-D magma flow model in an open conduit

    NASA Astrophysics Data System (ADS)

    Kawaguchi, Ryohei; Nishimura, Takeshi; Sato, Haruo

    2013-12-01

    We numerically simulate volcanic inflation caused by magma ascent in a shallow conduit at volcanoes which repeatedly erupt, in order to understand the effect of volatile behavior on magma from geodetic data. Considering magma in which the relative velocities between melt and gas bubbles are negligible, we model magma flow in a one-dimensional open conduit with diffusive gas bubble growth. We calculate the ground displacements and tilts caused by spatio-temporal changes of magma pressure in the conduit. Our simulations show that magma without volatiles causes decelerated changes in volcanic inflation. Magma with gas bubble growth inflates the volcano with a constant, or accelerated, rate. Temporal changes of volcanic deformation are also affected by the magma pressure at the bottom of the conduit. When the pressure is small, the displacements and tilts increase in proportion to the 1.5th power of time. This time rate is similar to that predicted from a basic gas bubble growth model. When the pressure equals the lithostatic pressure, the effects of gas bubble growth relatively decrease and the displacements and tilts increase linearly with time.

  5. Floodplain mapping via 1D and quasi-2D numerical models in the valley of Thessaly, Greece

    NASA Astrophysics Data System (ADS)

    Oikonomou, Athanasios; Dimitriadis, Panayiotis; Koukouvinos, Antonis; Tegos, Aristoteles; Pagana, Vasiliki; Panagopoulos, Panayiotis-Dionisios; Mamassis, Nikolaos; Koutsoyiannis, Demetris

    2013-04-01

    The European Union Floods Directive defines a flood as 'a covering by water of land not normally covered by water'. Human activities, such as agriculture, urban development, industry and tourism, contribute to an increase in the likelihood and adverse impacts of flood events. The study of the hydraulic behaviour of a river is important in flood risk management. Here, we investigate the behaviour of three hydraulic models, with different theoretical frameworks, in a real case scenario. The area is located in the Penios river basin, in the plain of Thessaly (Greece). The three models used are the one-dimensional HEC-RAS and the quasi two-dimensional LISFLOOD-FP and FLO-2D which are compared to each other, in terms of simulated maximum water depth as well as maximum flow velocity, and to a real flood event. Moreover, a sensitivity analysis is performed to determine how each simulation is affected by the river and floodplain roughness coefficient, in terms of flood inundation.

  6. Study of fog characteristics by using the 1-D COBEL model at the airport of Thessaloniki, Greece

    NASA Astrophysics Data System (ADS)

    Stolaki, S.; Pytharoulis, I.; Karacostas, T.

    2010-07-01

    An attempt is made to couple the one dimensional COBEL - ISBA (COuche Brouillard Eau Liquide - Interactions Soil Biosphere Atmosphere) model with the WRF (Weather Research and Forecasting) numerical weather prediction model. This accomplishment will improve the accuracy on the short-term forecasting of fog events, which is of paramount importance -mainly to the airway companies, the airports functioning and the community as well- and will provide the means for the implementation of extensive studies of fog events formed at the "Macedonia" airport of Thessaloniki. Numerical experiments have been performed to study in depth the thermodynamic structure and the microphysical characteristics of the fog event that was formed on 06/01/2010. Moreover, the meteorological conditions -under the influence of which- the fog event was formed are also investigated. Sensitivity tests with respect to the initial conditions of temperature, relative humidity and geostrophic wind speed profiles have been performed to illustrate the model’s performance. Dew deposition rates have also been examined in order to test the importance of it on controlling the fog formation. The numerical results have been compared with actual measurements and the findings have been evaluated and discussed.

  7. Evaluation of Bulk Charging in Geostationary Transfer Orbit and Earth Escape Trajectories Using the Numit 1-D Charging Model

    NASA Technical Reports Server (NTRS)

    Minow, Joseph I.; Coffey, Victoria N.; Parker, Linda N.; Blackwell, William C., Jr.; Jun, Insoo; Garrett, Henry B.

    2007-01-01

    The NUMIT 1-dimensional bulk charging model is used as a screening to ol for evaluating time-dependent bulk internal or deep dielectric) ch arging of dielectrics exposed to penetrating electron environments. T he code is modified to accept time dependent electron flux time serie s along satellite orbits for the electron environment inputs instead of using the static electron flux environment input originally used b y the code and widely adopted in bulk charging models. Application of the screening technique ts demonstrated for three cases of spacecraf t exposure within the Earth's radiation belts including a geostationa ry transfer orbit and an Earth-Moon transit trajectory for a range of orbit inclinations. Electric fields and charge densities are compute d for dielectric materials with varying electrical properties exposed to relativistic electron environments along the orbits. Our objectiv e is to demonstrate a preliminary application of the time-dependent e nvironments input to the NUMIT code for evaluating charging risks to exposed dielectrics used on spacecraft when exposed to the Earth's ra diation belts. The results demonstrate that the NUMIT electric field values in GTO orbits with multiple encounters with the Earth's radiat ion belts are consistent with previous studies of charging in GTO orb its and that potential threat conditions for electrostatic discharge exist on lunar transit trajectories depending on the electrical proper ties of the materials exposed to the radiation environment.

  8. A time series generalized functional model based method for vibration-based damage precise localization in structures consisting of 1D, 2D, and 3D elements

    NASA Astrophysics Data System (ADS)

    Sakaris, C. S.; Sakellariou, J. S.; Fassois, S. D.

    2016-06-01

    This study focuses on the problem of vibration-based damage precise localization via data-based, time series type, methods for structures consisting of 1D, 2D, or 3D elements. A Generalized Functional Model Based method is postulated based on an expanded Vector-dependent Functionally Pooled ARX (VFP-ARX) model form, capable of accounting for an arbitrary structural topology. The FP model's operating parameter vector elements are properly constrained to reflect any given topology. Damage localization is based on operating parameter vector estimation within the specified topology, so that the location estimate and its uncertainty bounds are statistically optimal. The method's effectiveness is experimentally demonstrated through damage precise localization on a laboratory spatial truss structure using various damage scenarios and a single pair of random excitation - vibration response signals in a low and limited frequency bandwidth.

  9. Nodal-line pairing with 1D-3D coupled Fermi surfaces: A model motivated by Cr-based superconductors

    NASA Astrophysics Data System (ADS)

    Wachtel, Gideon; Kim, Yong Baek

    2016-09-01

    Motivated by the recent discovery of a new family of chromium-based superconductors, we consider a two-band model, where a band of electrons dispersing only in one direction interacts with a band of electrons dispersing in all three directions. Strong 2 kf density fluctuations in the one-dimensional band induces attractive interactions between the three-dimensional electrons, which, in turn, makes the system superconducting. Solving the associated Eliashberg equations, we obtain a gap function which is peaked at the "poles" of the three-dimensional Fermi sphere, and decreases towards the "equator." When strong enough local repulsion is included, the gap actually changes sign around the equator and nodal rings are formed. These nodal rings manifest themselves in several experimentally observable quantities, some of which resemble unconventional observations in the newly discovered superconductors which motivated this work.

  10. Photochemical transformation of anionic 2-nitro-4-chlorophenol in surface waters: laboratory and model assessment of the degradation kinetics, and comparison with field data.

    PubMed

    Sur, Babita; De Laurentiis, Elisa; Minella, Marco; Maurino, Valter; Minero, Claudio; Vione, Davide

    2012-06-01

    Anionic 2-nitro-4-chlorophenol (NCP) may occur in surface waters as a nitroderivative of 4-chlorophenol, which is a transformation intermediate of the herbicide dichlorprop. Here we show that NCP would undergo efficient photochemical transformation in environmental waters, mainly by direct photolysis and reaction with OH. NCP has a polychromatic photolysis quantum yield Φ(NCP)=(1.27±0.22)·10(-5), a rate constant with OH k(NCP,)(OH)=(1.09±0.09)·10(10) M(-1) s(-1), a rate constant with (1)O(2)k(NCP,1O2)=(2.15±0.38)·10(7) M(-1) s(-1), a rate constant with the triplet state of anthraquinone-2-sulphonate k(NCP,3AQ2S*)=(5.90±0.43)·10(8) M(-1) s(-1), and is poorly reactive toward CO(3)(-). The k(NCP,3AQ2S*) value is representative of reaction with the triplet states of chromophoric dissolved organic matter. The inclusion of photochemical reactivity data into a model of surface-water photochemistry allowed the NCP transformation kinetics to be predicted as a function of water chemical composition and column depth. Very good agreement between model predictions and field data was obtained for the shallow lagoons of the Rhône delta (Southern France).

  11. Basin infilling of a schematic 1D estuary using two different approaches: an aggregate diffusive type model and a processed based model.

    NASA Astrophysics Data System (ADS)

    Laginha Silva, Patricia; Martins, Flávio A.; Boski, Tomász; Sampath, Dissanayake M. R.

    2010-05-01

    processes. In this viewpoint the system is broken down into its fundamental components and processes and the model is build up by selecting the important processes regardless of its time and space scale. This viewpoint was only possible to pursue in the recent years due to improvement in system knowledge and computer power (Paola, 2000). The primary aim of this paper is to demonstrate that it is possible to simulate the evolution of the sediment river bed, traditionally studied with synthetic models, with a process-based hydrodynamic, sediment transport and morphodynamic model, solving explicitly the mass and momentum conservation equations. With this objective, a comparison between two mathematical models for alluvial rivers is made to simulate the evolution of the sediment river bed of a conceptual 1D embayment for periods in the order of a thousand years: the traditional synthetic basin infilling aggregate diffusive type model based on the diffusion equation (Paola, 2000), used in the "synthesist" viewpoint and the process-based model MOHID (Miranda et al., 2000). The simulation of the sediment river bed evolution achieved by the process-based model MOHID is very similar to those obtained by the diffusive type model, but more complete due to the complexity of the process-based model. In the MOHID results it is possible to observe a more comprehensive and realistic results because this type of model include processes that is impossible to a synthetic model to describe. At last the combined effect of tide, sea level rise and river discharges was investigated in the process based model. These effects cannot be simulated using the diffusive type model. The results demonstrate the feasibility of using process based models to perform studies in scales of 10000 years. This is an advance relative to the use of synthetic models, enabling the use of variable forcing. REFERENCES • Briggs, L.I. and Pollack, H.N., 1967. Digital model of evaporate sedimentation. Science, 155, 453

  12. A comparison of 1D analytical model and 3D finite element analysis with experiments for a rosen-type piezoelectric transformer.

    PubMed

    Boukazouha, F; Poulin-Vittrant, G; Tran-Huu-Hue, L P; Bavencoffe, M; Boubenider, F; Rguiti, M; Lethiecq, M

    2015-07-01

    This article is dedicated to the study of Piezoelectric Transformers (PTs), which offer promising solutions to the increasing need for integrated power electronics modules within autonomous systems. The advantages offered by such transformers include: immunity to electromagnetic disturbances; ease of miniaturisation for example, using conventional micro fabrication processes; and enhanced performance in terms of voltage gain and power efficiency. Central to the adequate description of such transformers is the need for complex analytical modeling tools, especially if one is attempting to include combined contributions due to (i) mechanical phenomena owing to the different propagation modes which differ at the primary and secondary sides of the PT; and (ii) electrical phenomena such as the voltage gain and power efficiency, which depend on the electrical load. The present work demonstrates an original one-dimensional (1D) analytical model, dedicated to a Rosen-type PT and simulation results are successively compared against that of a three-dimensional (3D) Finite Element Analysis (COMSOL Multiphysics software) and experimental results. The Rosen-type PT studied here is based on a single layer soft PZT (P191) with corresponding dimensions 18 mm × 3 mm × 1.5 mm, which operated at the second harmonic of 176 kHz. Detailed simulational and experimental results show that the presented 1D model predicts experimental measurements to within less than 10% error of the voltage gain at the second and third resonance frequency modes. Adjustment of the analytical model parameters is found to decrease errors relative to experimental voltage gain to within 1%, whilst a 2.5% error on the output admittance magnitude at the second resonance mode were obtained. Relying on the unique assumption of one-dimensionality, the present analytical model appears as a useful tool for Rosen-type PT design and behavior understanding.

  13. The LAPS Project : A live 1D Radiative-Convective Model to explore the possible climates of terrestrial planets and exoplanets.

    NASA Astrophysics Data System (ADS)

    Turbet, Martin; Forget, Francois; Schott, Cédric

    2016-10-01

    The LAPS (Live Atmospheres-of-Planets Simulator) is a live 1D version of the LMD Global Climate Model that provides an accelerated and interactive simulation of the climate of terrestrial planets and exoplanets.This tool was designed for students to explore the «Classical Habitable Zone», defined as the range of orbital distances within which a planet can maintain liquid water on its surface. The model faithfully reproduces both the inner edge and the outer edge limits of the Habitable Zone, and their dependencies to the type of star and the gas composition.Furthermore, it provides a "hands on" experiment by showing how the surface and atmospheric temperatures as well as the profile of water vapor evolve through time when the external forcing (insolation, star spectrum, ...) or the planet (quantity of CO2, initial amount of water reservoir, ...) is modified.The tool is available at http://laps.lmd.jussieu.fr/ .

  14. RESULTS OF PHOTOCHEMICAL SIMULATIONS OF SUBGRID SCALE POINT SOURCE EMISSIONS WITH THE MODELS-3 CMAQ MODELING SYSTEM

    EPA Science Inventory

    The Community Multiscale Air Quality (CMAQ) / Plume-in-Grid (PinG) model was applied on a domain encompassing the greater Nashville, Tennessee region. Model simulations were performed for selected days in July 1995 during the Southern Oxidant Study (SOS) field study program wh...

  15. Air Quality Model Evaluation International Initiative (AQMEII): Advancing State of the Science in Regional Photochemical Modeling and Its Applications

    EPA Science Inventory

    Although the focus in the 1970s was primarily on urban air pollution models, it is well known that pollution problems such as acid rain, ozone, and fine particulate matter are regional in scope, requiring regional-scale multipollutant models. In North America and Europe, several ...

  16. A model assessment of the ability of lake water in Terra Nova Bay, Antarctica, to induce the photochemical degradation of emerging contaminants.

    PubMed

    Minella, Marco; Maurino, Valter; Minero, Claudio; Vione, Davide

    2016-11-01

    The shallow lakes located in Terra Nova Bay, Antarctica, are free from ice for only up to a couple of months (mid December to early/mid February) during the austral summer. In the rest of the year, the ice cover shields the light and inhibits the photochemical processes in the water columns. Previous work has shown that chromophoric dissolved organic matter (CDOM) in these lakes is very reactive photochemically. A model assessment is here provided of lake-water photoreactivity in field conditions, based on experimental data of lake water absorption spectra, chemistry and photochemistry obtained previously, taking into account the water depth and the irradiation conditions of the Antarctic summer. The chosen sample contaminants were the solar filter benzophenone-3 and the antimicrobial agent triclosan, which have very well known photoreactivity and have been found in a variety of environmental matrices in the Antarctic continent. The two compounds would have a half-life time of just a few days or less in the lake water during the Antarctic summertime, largely due to reaction with CDOM triplet states ((3)CDOM*). In general, pollutants that occur in the ice and could be released to lake water upon ice melting (around or soon after the December solstice) would be quickly photodegraded if they undergo fast reaction with (3)CDOM*. With some compounds, the important (3)CDOM* reactions might favour the production of harmful secondary pollutants, such as 2,8-dichlorodibenzodioxin from the basic (anionic) form of triclosan.

  17. A model assessment of the ability of lake water in Terra Nova Bay, Antarctica, to induce the photochemical degradation of emerging contaminants.

    PubMed

    Minella, Marco; Maurino, Valter; Minero, Claudio; Vione, Davide

    2016-11-01

    The shallow lakes located in Terra Nova Bay, Antarctica, are free from ice for only up to a couple of months (mid December to early/mid February) during the austral summer. In the rest of the year, the ice cover shields the light and inhibits the photochemical processes in the water columns. Previous work has shown that chromophoric dissolved organic matter (CDOM) in these lakes is very reactive photochemically. A model assessment is here provided of lake-water photoreactivity in field conditions, based on experimental data of lake water absorption spectra, chemistry and photochemistry obtained previously, taking into account the water depth and the irradiation conditions of the Antarctic summer. The chosen sample contaminants were the solar filter benzophenone-3 and the antimicrobial agent triclosan, which have very well known photoreactivity and have been found in a variety of environmental matrices in the Antarctic continent. The two compounds would have a half-life time of just a few days or less in the lake water during the Antarctic summertime, largely due to reaction with CDOM triplet states ((3)CDOM*). In general, pollutants that occur in the ice and could be released to lake water upon ice melting (around or soon after the December solstice) would be quickly photodegraded if they undergo fast reaction with (3)CDOM*. With some compounds, the important (3)CDOM* reactions might favour the production of harmful secondary pollutants, such as 2,8-dichlorodibenzodioxin from the basic (anionic) form of triclosan. PMID:27487093

  18. Simulation of decay heat removal by natural convection in a pool type fast reactor model-ramona-with coupled 1D/2D thermal hydraulic code system

    SciTech Connect

    Kasinathan, N.; Rajakumar, A.; Vaidyanathan, G.; Chetal, S.C.

    1995-09-01

    Post shutdown decay heat removal is an important safety requirement in any nuclear system. In order to improve the reliability of this function, Liquid metal (sodium) cooled fast breeder reactors (LMFBR) are equipped with redundant hot pool dipped immersion coolers connected to natural draught air cooled heat exchangers through intermediate sodium circuits. During decay heat removal, flow through the core, immersion cooler primary side and in the intermediate sodium circuits are also through natural convection. In order to establish the viability and validate computer codes used in making predictions, a 1:20 scale experimental model called RAMONA with water as coolant has been built and experimental simulation of decay heat removal situation has been performed at KfK Karlsruhe. Results of two such experiments have been compiled and published as benchmarks. This paper brings out the results of the numerical simulation of one of the benchmark case through a 1D/2D coupled code system, DHDYN-1D/THYC-2D and the salient features of the comparisons. Brief description of the formulations of the codes are also included.

  19. Photochemical tissue bonding

    DOEpatents

    Redmond, Robert W.; Kochevar, Irene E.

    2012-01-10

    Photochemical tissue bonding methods include the application of a photosensitizer to a tissue and/or tissue graft, followed by irradiation with electromagnetic energy to produce a tissue seal. The methods are useful for tissue adhesion, such as in wound closure, tissue grafting, skin grafting, musculoskeletal tissue repair, ligament or tendon repair and corneal repair.

  20. Photochemical modeling of nonmigrating tides in the 15 μm infrared cooling of the lower thermosphere over one solar cycle and comparison with SABER

    NASA Astrophysics Data System (ADS)

    Nischal, N.; Oberheide, J.; Mlynczak, M. G.; Hunt, L. A.; Maute, A. I.

    2015-12-01

    Tidal diagnostics of SABER CO2 15 μm data shows a substantial modulation of the energy budget of the lower thermosphere due to nonmigrating tides: relative amplitudes of the CO2 cooling rates for the DE2 and DE3 components are on the order of 15-50% with respect to the monthly mean emissions. Supporting photochemical tidal modeling using TIME-GCM and the empirical CTMT model reproduces the general amplitude structures and phases. Furthermore, it indicates that the main tidal coupling mechanism is the temperature dependence of the collisional excitation of the CO2 (01101) fundamental band transition (ν2). The response to neutral density variations is as important as temperature above 115 km as such explaining an unexpected tidal phase behavior in the observation. The contribution of vertical advection is comparatively small. In order to test the sensitivity of the modeled DE2 and DE3 CO2 VER tides to the solar cycle and to the specific choice of mean temperature, atomic oxygen, and CO2 density, we extend the modeling by using background from MSIS, SABER, and SCIAMACHY. The results indicate that the current uncertainties in the background temperature and atomic oxygen used for the photochemical modeling do not impact our conclusion about the relative importance of the tidal coupling mechanisms. Our results quantify the response of the CO2 15 μm infrared cooling of the lower thermosphere to tropospheric tides and delineate the coupling mechanisms that lead to the observed strong longitudinal and local time variability.

  1. Bridging the gap between global models and full fluid models: a fast 1D semi-analytical fluid model for electronegative plasmas

    NASA Astrophysics Data System (ADS)

    Hurlbatt, A.; O'Connell, D.; Gans, T.

    2016-08-01

    Analytical and numerical models allow investigation of complicated discharge phenomena and the interplay that makes plasmas such a complex environment. Global models are quick to implement and can have almost negligible computation cost, but provide only bulk or spatially averaged values. Full fluid models take longer to develop, and can take days to solve, but provide accurate spatio-temporal profiles of the whole plasma. The work presented here details a different type of model, analytically similar to fluid models, but computationally closer to a global model, and able to give spatially resolved solutions for the challenging environment of electronegative plasmas. Included are non-isothermal electrons, gas heating, and coupled neutral dynamics. Solutions are reached in seconds to minutes, and spatial profiles are given for densities, fluxes, and temperatures. This allows the semi-analytical model to fill the gap that exists between global and full fluid models, extending the tools available to researchers. The semi-analytical model can perform broad parameter sweeps that are not practical with more computationally expensive models, as well as exposing non-trivial trends that global models cannot capture. Examples are given for a low pressure oxygen CCP. Excellent agreement is shown with a full fluid model, and comparisons are drawn with the corresponding global model.

  2. Impacts of Leads on the Wintertime Sea-ice Environment Using 1D and 3D Models Validated with In-Situ Observations

    NASA Astrophysics Data System (ADS)

    Persson, O. P.; Solomon, A.

    2013-12-01

    Though leads only represent a small portion of the Arctic sea-ice area, their contribution to the surface turbulent energy and momentum fluxes can be significant. Numerous modeling studies presented in the literature have been conducted examining these effects. The results of such studies have indicated the importance of the environmental large-scale stability, the environmental humidity, the lead width, the ice (lead) concentration, the lead size distribution, the character of the leads (open water, refrozen), etc. Because global climate models (GCMs) show significant sensitivity to the large-scale net energy flux from the heterogeneous sea-ice surface, and because thinner ice in the projected future Arctic climate will likely result in increasing lead fractions, the appropriate GCM representation of this complex system is important. This study presents modeling results based on observations from the Surface Heat Budget of the Arctic Ocean (SHEBA) experiment, for which the mid-winter sea-ice was greatly heterogeneous. In mid-January, the 100x100 km region surrounding the SHEBA ice camp consisted of a lead fraction of ~16-33% as revealed by SAR data. This included primarily older refrozen lead areas that were generated at least a month earlier (~16-25% areal coverage), with a smaller fraction of newly opened leads (~4-9% areal coverage). Utilizing the sequence of SAR images, the atmospheric observations at the SHEBA site, and a 1-D snow and ice model, the spatial distribution of sea-ice thickness, snow depth, and surface temperatures within this domain were estimated over a 6-week period, revealing the significant impact of leads in all stages on GCM-scale temperatures and fluxes. This combined observational/model data series is used to evaluate a variety of one-dimensional turbulent flux aggregation techniques (e.g., mosaic) that use different assumptions. Furthermore, by using the spatial distribution of these surface characteristics, three-dimensional large eddy

  3. Study using a three-dimensional photochemical smog formation model under conditions of complex flow: Application of the Urban Airshed Model to the Tokyo Metropolitan Area. Rept. for Jan 85-Jan 91

    SciTech Connect

    Wakamatsu, S.; Schere, K.L.

    1991-03-01

    The purpose of the study is to evaluate the Urban Airshed Model (UAM), a three-dimensional photochemical urban air quality simulation model, using field observations from the Tokyo Metropolitan Area. Emphasis was placed on the photochemical smog formation mechanism under stagnant meteorological conditions. The UAM produced reasonable calculated results for the diurnal, areal and vertical distributions of O3 concentrations covering the Tokyo Metropolitan Area. The role and significance of the previous day's secondary pollutants on O3 formation mechanisms were also investigated. During the night time, high values of secondary pollutant concentrations were predicted above the radiation inversion layer. These aged pollutants were then entrained into the mixing layer during the day in accordance with the elevation of the lid. These characteristic features were also observed in the field study.

  4. Outstanding Phenotypic Differences in the Profile of Amyloid-β between Tg2576 and APPswe/PS1dE9 Transgenic Mouse Models of Alzheimer's Disease.

    PubMed

    Allué, José Antonio; Sarasa, Leticia; Izco, María; Pérez-Grijalba, Virginia; Fandos, Noelia; Pascual-Lucas, María; Ogueta, Samuel; Pesini, Pedro; Sarasa, Manuel

    2016-05-30

    APPswe/PS1dE9 and Tg2576 are very common transgenic mouse models of Alzheimer's disease (AD), used in many laboratories as tools to research the mechanistic process leading to the disease. In order to augment our knowledge about the amyloid-β (Aβ) isoforms present in both transgenic mouse models, we have developed two chromatographic methods, one acidic and the other basic, for the characterization of the Aβ species produced in the brains of the two transgenic mouse models. After immunoprecipitation and micro-liquid chromatography-electrospray ionization mass spectrometry/mass spectrometry, 10 species of Aβ, surprisingly all of human origin, were detected in the brain of Tg2576 mouse, whereas 39 species, of both murine and human origin, were detected in the brain of the APP/PS1 mouse. To the best of our knowledge, this is the first study showing the identification of such a high number of Aβ species in the brain of the APP/PS1 transgenic mouse, whereas, in contrast, a much lower number of Aβ species were identified in the Tg2576 mouse. Therefore, this study brings to light a relevant phenotypic difference between these two popular mice models of AD. PMID:27258422

  5. Photochemical synthesis of H2O2 from the H2O...O(3P) van der Waals complex: experimental observations in solid krypton and theoretical modeling.

    PubMed

    Pehkonen, Susanna; Marushkevich, Kseniya; Khriachtchev, Leonid; Räsänen, Markku; Grigorenko, Bella L; Nemukhin, Alexander V

    2007-11-15

    Productive photochemical synthesis of hydrogen peroxide, H(2)O(2), from the H(2)O...O((3)P) van der Waals complex is studied in solid krypton. Experimentally, we achieve the three-step formation of H(2)O(2) from H(2)O and N(2)O precursors frozen in solid krypton. First, 193 nm photolysis of N(2)O yields oxygen atoms in solid krypton. Upon annealing at approximately 25 K, mobile oxygen atoms react with water forming the H(2)O...O complex, where the oxygen atom is in the triplet ground state. Finally, the H(2)O...O complex is converted to H(2)O(2) by irradiation at 300 nm. According to the complete active space self-consistent field modeling, hydrogen peroxide can be formed through the photoexcited H(2)O+-O- charge-transfer state of the H(2)O...O complex, which agrees with the experimental evidence.

  6. Ion densities and composition of Titan's upper atmosphere derived from the Cassini Ion Neutral Mass Spectrometer: Analysis methods and comparison of measured ion densities to photochemical model simulations

    NASA Astrophysics Data System (ADS)

    Mandt, Kathleen E.; Gell, David A.; Perry, Mark; Hunter Waite, J., Jr.; Crary, Frank A.; Young, David; Magee, Brian A.; Westlake, Joseph H.; Cravens, Thomas; Kasprzak, Wayne; Miller, Greg; Wahlund, Jan-Erik; Ågren, Karin; Edberg, Niklas J. T.; Heays, Alan N.; Lewis, Brenton R.; Gibson, Stephen T.; de la Haye, V.; Liang, Mao-Chang

    2012-10-01

    The Cassini Ion Neutral Mass Spectrometer (INMS) has measured both neutral and ion species in Titan's upper atmosphere and ionosphere and the Enceladus plumes. Ion densities derived from INMS measurements are essential data for constraining photochemical models of Titan's ionosphere. The objective of this paper is to present an optimized method for converting raw data measured by INMS to ion densities. To do this, we conduct a detailed analysis of ground and in-flight calibration to constrain the instrument response to ion energy, the critical parameter on which the calibration is based. Data taken by the Cassini Radio Plasma Wave Science Langmuir Probe and the Cassini Plasma Spectrometer Ion Beam Spectrometer are used as independent measurement constraints in this analysis. Total ion densities derived with this method show good agreement with these data sets in the altitude region (˜1100-1400 km) where ion drift velocities are low and the mass of the ions is within the measurement range of the INMS (1-99 Daltons). Although ion densities calculated by the method presented here differ slightly from those presented in previous INMS publications, we find that the implications for the science presented in previous publications is mostly negligible. We demonstrate the role of the INMS ion densities in constraining photochemical models and find that (1) cross sections having high resolution as a function of wavelength are necessary for calculating the initial photoionization products and (2) there are disagreements between the measured ion densities representative of the initial steps in Titan photochemistry that require further investigation.

  7. Photochemical isotope separation

    DOEpatents

    Robinson, C. Paul; Jensen, Reed J.; Cotter, Theodore P.; Greiner, Norman R.; Boyer, Keith

    1987-01-01

    A process for separating isotopes by selective excitation of isotopic species of a volatile compound by tuned laser light. A highly cooled gas of the volatile compound is produced in which the isotopic shift is sharpened and defined. Before substantial condensation occurs, the cooled gas is irradiated with laser light precisely tuned to a desired wavelength to selectively excite a particular isotopic species in the cooled gas. The laser light may impart sufficient energy to the excited species to cause it to undergo photochemical reaction or even to photoionize. Alternatively, a two-photon irradiation may be applied to the cooled gas to induce photochemical reaction or photoionization. The process is particularly applicable to the separation of isotopes of uranium and plutonium.

  8. Photochemical isotope separation

    DOEpatents

    Robinson, C.P.; Jensen, R.J.; Cotter, T.P.; Greiner, N.R.; Boyer, K.

    1987-04-28

    A process is described for separating isotopes by selective excitation of isotopic species of a volatile compound by tuned laser light. A highly cooled gas of the volatile compound is produced in which the isotopic shift is sharpened and defined. Before substantial condensation occurs, the cooled gas is irradiated with laser light precisely tuned to a desired wavelength to selectively excite a particular isotopic species in the cooled gas. The laser light may impart sufficient energy to the excited species to cause it to undergo photochemical reaction or even to photoionize. Alternatively, a two-photon irradiation may be applied to the cooled gas to induce photochemical reaction or photoionization. The process is particularly applicable to the separation of isotopes of uranium and plutonium. 8 figs.

  9. Materials Integrating Photochemical Upconversion.

    PubMed

    McCusker, Catherine E; Castellano, Felix N

    2016-04-01

    This review features recent experimental work focused on the preparation and characterization of materials that integrate photochemical upconversion derived from sensitized triplet-triplet annihilation, resulting in the conversion of low energy photons to higher energy light, thereby enabling numerous wavelength-shifting applications. Recent topical developments in upconversion include encapsulating or rigidifying fluid solutions to give them mechanical strength, adapting inert host materials to enable upconversion, and using photoactive materials that incorporate the sensitizer and/or the acceptor. The driving force behind translating photochemical upconversion from solution into hard and soft materials is the incorporation of upconversion into devices and other applications. At present, some of the most promising applications of upconversion materials include imaging and fluorescence microscopy, photoelectrochemical devices, water disinfection, and solar cell enhancement.

  10. Materials Integrating Photochemical Upconversion.

    PubMed

    McCusker, Catherine E; Castellano, Felix N

    2016-04-01

    This review features recent experimental work focused on the preparation and characterization of materials that integrate photochemical upconversion derived from sensitized triplet-triplet annihilation, resulting in the conversion of low energy photons to higher energy light, thereby enabling numerous wavelength-shifting applications. Recent topical developments in upconversion include encapsulating or rigidifying fluid solutions to give them mechanical strength, adapting inert host materials to enable upconversion, and using photoactive materials that incorporate the sensitizer and/or the acceptor. The driving force behind translating photochemical upconversion from solution into hard and soft materials is the incorporation of upconversion into devices and other applications. At present, some of the most promising applications of upconversion materials include imaging and fluorescence microscopy, photoelectrochemical devices, water disinfection, and solar cell enhancement. PMID:27573144

  11. Modeling Large Water Infiltration Events in Small Plots Using the 1-D Finite Water-content Method and Numerical Solutions to the Richards' Equation.

    NASA Astrophysics Data System (ADS)

    Brown, A.; Dahlke, H. E.

    2015-12-01

    The ability of soil to infiltrate large volumes of water is fundamental to managed aquifer recharge (MAR) when using infiltration basins or agricultural fields. In order to investigate the feasibility of using agricultural fields for MAR we conducted a field experiment designed to not only assess the resilience of alfalfa (Medicago sativa) to large (300 mm), short duration (1.5 hour), repeated irrigation events during the winter but also how crop resilience was influenced by soil water movement. We hypothesized that large irrigation amounts designed for groundwater recharge could cause prolonged saturated conditions in the root-zone and yield loss. Tensiometers were installed at two depths (60 and 150 cm) in a loam soil to monitor the changes in soil matric potential within and below the root-zone following irrigation events in each of five experimental plots (8 x 16 m2). To simulate the individual infiltration events we employed the HYDRUS-1D computational module (Simunek et al., 2005) and compared the finite-water content vadose zone flow method (Ogden et al. 2015) with numerical solutions to the Richards' equation. For both models we assumed a homogenous and isotropic root zone that is initially unsaturated with no water flow. Here we assess the ability of these two models to account for the control volume applied to the plots and to capture sharp changes in matric potential that were observed in the early time after an irrigation pulse. The goodness-of-fit of the models was evaluated using the root mean square error (RMSE) for observed and predicted values of cumulative infiltration over time, wetting front depth over time and water content at observation nodes. For the finite-water content method, the RMSE values and output for observation nodes were similar to that from the HYDRUS-1D solution. This indicates that the finite-water content method may be useful for predicting the fate of large volumes of water applied for MAR. Moreover, both models suggest a

  12. Effect of the band structure in a rigorous two-body model with long-range interactions in 1D optical lattices

    NASA Astrophysics Data System (ADS)

    Kristensen, Tom; Simoni, Andrea; Launay, Jean-Michel

    2016-05-01

    We compute scattering and bound state properties for two ultracold molecules in a pure 1D optical lattice. We introduce reference functions with complex quasi-momentum that naturally account for the effect of excited energy bands. Our exact results for a short-range interaction are first compared with the simplest version of the standard Bose-Hubbard (BH) model. Such comparison allows us to highlight the effect of the excited bands, of the non-on-site interaction and of tunneling with distant neighbor, that are not taken into account in the BH model. The effective interaction can depend strongly on the particle quasi-momenta and can present a resonant behavior even in a deep lattice. As a second step, we study scattering of two polar particles in the optical lattice. Peculiar Wigner threshold laws stem from the interplay of the long range dipolar interaction and the presence of the energy bands. We finally assess the validity of an extended Bose-Hubbard model for dipolar gases based on our exact two-body calculations. This work was supported by the Agence Nationale de la Recherche (Contract No. ANR-12-BS04-0020-01).

  13. Behavioral abnormalities in APPSwe/PS1dE9 mouse model of AD-like pathology: comparative analysis across multiple behavioral domains.

    PubMed

    Janus, Christopher; Flores, Abigail Y; Xu, Guilian; Borchelt, David R

    2015-09-01

    Alzheimer's disease (AD) is characterized by dysfunction in cognitive and noncognitive domains with clinical diagnosis based on multiple neuropsychological tests. Here, we evaluated cognitive and noncognitive behaviors in 2 age cohorts (8 and 14 months at the start of the study) of APPSwe/PS1dE9 transgenic mice that model AD-like amyloidosis. We used a battery of tests that included fear-conditioned context and tone memories, swimming activity, and orientation to a proximal cue in a visible platform water maze test and burrowing and nest building activity. To compare the performance of mice across all tests, we used z-score normalization of data. The analyses revealed that the behavior of the transgenic mice was significantly compromised in cognitive as well as in noncognitive domains. Combining scores across multiple behavioral tests produced an integrated index characterizing the overall phenotypic abnormality in this model of AD-like amyloidosis. Assessing multiple behavioral domains provides a broader view of the breadth of impairments in multiple behavioral systems. Greater implementation of such approaches could enable reliable and clinically predictive evaluation of therapeutics in mouse models of amyloidosis.

  14. Recent Advances in the Modeling of the Transport of Two-Plasmon-Decay Electrons in the 1-D Hydrodynamic Code LILAC

    NASA Astrophysics Data System (ADS)

    Delettrez, J. A.; Myatt, J. F.; Yaakobi, B.

    2015-11-01

    The modeling of the fast-electron transport in the 1-D hydrodynamic code LILAC was modified because of the addition of cross-beam-energy-transfer (CBET) in implosion simulations. Using the old fast-electron with source model CBET results in a shift of the peak of the hard x-ray (HXR) production from the end of the laser pulse, as observed in experiments, to earlier in the pulse. This is caused by a drop in the laser intensity of the quarter-critical surface from CBET interaction at lower densities. Data from simulations with the laser plasma simulation environment (LPSE) code will be used to modify the source algorithm in LILAC. In addition, the transport model in LILAC has been modified to include deviations from the straight-line algorithm and non-specular reflection at the sheath to take into account the scattering from collisions and magnetic fields in the corona. Simulation results will be compared with HXR emissions from both room-temperature plastic and cryogenic target experiments. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.

  15. Reversible transformation between α-oxo acids and α-amino acids on ZnS particles: a photochemical model for tuning the prebiotic redox homoeostasis

    NASA Astrophysics Data System (ADS)

    Wang, Wei; Liu, Xiaoyang; Yang, Yanqiang; Su, Wenhui

    2013-01-01

    How prebiotic metabolic pathways could have formed is an essential question for the origins of life on early Earth. From the abiogenetic point of view, the emergence of primordial metabolism may be postulated as a continuum from Earth's geochemical processes to chemoautotrophic biochemical procedures on mineral surfaces. In the present study, we examined in detail the reversible amination of α-ketoglutarate on UV-irradiated ZnS particles under variable reaction conditions such as pH, temperature, hole scavenger species and concentrations, and different amino acids. It was observed that the reductive amination of α-ketoglutarate and the oxidative amination of glutamate were both effectively performed on ZnS surfaces in the presence and absence of a hole scavenger, respectively. Accordingly, a photocatalytic mechanism was proposed. The reversible photochemical reaction was more efficient under basic conditions but independent of temperature in the range of 30-60 °C. SO3 2- was more effective than S2- as the hole scavenger. Finally, we extended the glutamate dehydrogenase-like chemistry to a set of other α-amino acids and their corresponding α-oxo acids and found that hydrophobic amino acid side chains were more conducive to the reversible redox reactions. Since the experimental conditions are believed to have been prevalent in shallow water hydrothermal vent systems of early Earth, the results of this work not only suggest that the ZnS-assisted photochemical reaction can regulate the redox equilibrium between α-amino acids and α-oxo acids, but also provide a model of how prebiotic metabolic homoeostasis could have been developed and regulated. These findings can advance our understanding of the establishment of archaic non-enzymatic metabolic systems and the origins of autotrophy.

  16. Forest-atmosphere BVOC exchange in diverse and structurally complex canopies: 1-D modeling of a mid-successional forest in northern Michigan

    NASA Astrophysics Data System (ADS)

    Bryan, Alexander M.; Cheng, Susan J.; Ashworth, Kirsti; Guenther, Alex B.; Hardiman, Brady S.; Bohrer, Gil; Steiner, Allison L.

    2015-11-01

    Foliar emissions of biogenic volatile organic compounds (BVOC)-important precursors of tropospheric ozone and secondary organic aerosols-vary widely by vegetation type. Modeling studies to date typically represent the canopy as a single dominant tree type or a blend of tree types, yet many forests are diverse with trees of varying height. To assess the sensitivity of biogenic emissions to tree height variation, we compare two 1-D canopy model simulations in which BVOC emission potentials are homogeneous or heterogeneous with canopy depth. The heterogeneous canopy emulates the mid-successional forest at the University of Michigan Biological Station (UMBS). In this case, high-isoprene-emitting foliage (e.g., aspen and oak) is constrained to the upper canopy, where higher sunlight availability increases the light-dependent isoprene emission, leading to 34% more isoprene and its oxidation products as compared to the homogeneous simulation. Isoprene declines from aspen mortality are 10% larger when heterogeneity is considered. Overall, our results highlight the importance of adequately representing complexities of forest canopy structure when simulating light-dependent BVOC emissions and chemistry.

  17. Forest-atmosphere BVOC exchange in diverse and structurally complex canopies: 1-D modeling of a mid-successional forest in northern Michigan

    SciTech Connect

    Bryan, Alexander M.; Cheng, Susan J.; Ashworth, Kirsti; Guenther, Alex B.; Hardiman, Brady; Bohrer, Gil; Steiner, A. L.

    2015-11-01

    Foliar emissions of biogenic volatile organic compounds (BVOC)dimportant precursors of tropospheric ozone and secondary organic aerosolsdvary widely by vegetation type. Modeling studies to date typi-cally represent the canopy as a single dominant tree type or a blend of tree types, yet many forests are diverse with trees of varying height. To assess the sensitivity of biogenic emissions to tree height vari-ation, we compare two 1-D canopy model simulations in which BVOC emission potentials are homo-geneous or heterogeneous with canopy depth. The heterogeneous canopy emulates the mid-successional forest at the University of Michigan Biological Station (UMBS). In this case, high-isoprene-emitting fo-liage (e.g., aspen and oak) is constrained to the upper canopy, where higher sunlight availability increases the light-dependent isoprene emission, leading to 34% more isoprene and its oxidation products as compared to the homogeneous simulation. Isoprene declines from aspen mortality are 10% larger when heterogeneity is considered. Overall, our results highlight the importance of adequately representing complexities of forest canopy structure when simulating light-dependent BVOC emissions and chemistry.

  18. Development and Validation of the Total HUman Model for Safety (THUMS) Version 5 Containing Multiple 1D Muscles for Estimating Occupant Motions with Muscle Activation During Side Impacts.

    PubMed

    Iwamoto, Masami; Nakahira, Yuko

    2015-11-01

    Accurate prediction of occupant head kinematics is critical for better understanding of head/face injury mechanisms in side impacts, especially far-side occupants. In light of the fact that researchers have demonstrated that muscle activations, especially in neck muscles, can affect occupant head kinematics, a human body finite element (FE) model that considers muscle activation is useful for predicting occupant head kinematics in real-world automotive accidents. In this study, we developed a human body FE model called the THUMS (Total HUman Model for Safety) Version 5 that contains 262 one-dimensional (1D) Hill-type muscle models over the entire body. The THUMS was validated against 36 series of PMHS (Post Mortem Human Surrogate) and volunteer test data in this study, and 16 series of PMHS and volunteer test data on side impacts are presented. Validation results with force-time curves were also evaluated quantitatively using the CORA (CORrelation and Analysis) method. The validation results suggest that the THUMS has good biofidelity in the responses of the regional or full body for side impacts, but relatively poor biofidelity in its local level of responses such as brain displacements. Occupant kinematics predicted by the THUMS with a muscle controller using 22 PID (Proportional-Integral- Derivative) controllers were compared with those of volunteer test data on low-speed lateral impacts. The THUMS with muscle controller reproduced the head kinematics of the volunteer data more accurately than that without muscle activation, although further studies on validation of torso kinematics are needed for more accurate predictions of occupant head kinematics.

  19. Development and Validation of the Total HUman Model for Safety (THUMS) Version 5 Containing Multiple 1D Muscles for Estimating Occupant Motions with Muscle Activation During Side Impacts.

    PubMed

    Iwamoto, Masami; Nakahira, Yuko

    2015-11-01

    Accurate prediction of occupant head kinematics is critical for better understanding of head/face injury mechanisms in side impacts, especially far-side occupants. In light of the fact that researchers have demonstrated that muscle activations, especially in neck muscles, can affect occupant head kinematics, a human body finite element (FE) model that considers muscle activation is useful for predicting occupant head kinematics in real-world automotive accidents. In this study, we developed a human body FE model called the THUMS (Total HUman Model for Safety) Version 5 that contains 262 one-dimensional (1D) Hill-type muscle models over the entire body. The THUMS was validated against 36 series of PMHS (Post Mortem Human Surrogate) and volunteer test data in this study, and 16 series of PMHS and volunteer test data on side impacts are presented. Validation results with force-time curves were also evaluated quantitatively using the CORA (CORrelation and Analysis) method. The validation results suggest that the THUMS has good biofidelity in the responses of the regional or full body for side impacts, but relatively poor biofidelity in its local level of responses such as brain displacements. Occupant kinematics predicted by the THUMS with a muscle controller using 22 PID (Proportional-Integral- Derivative) controllers were compared with those of volunteer test data on low-speed lateral impacts. The THUMS with muscle controller reproduced the head kinematics of the volunteer data more accurately than that without muscle activation, although further studies on validation of torso kinematics are needed for more accurate predictions of occupant head kinematics. PMID:26660740

  20. Evaluation of emission control strategies to reduce ozone pollution in the Paso del Norte region using a photochemical air quality modeling system

    NASA Astrophysics Data System (ADS)

    Valenzuela, Victor Hugo

    Air pollution emissions control strategies to reduce ozone precursor pollutants are analyzed by applying a photochemical modeling system. Simulations of air quality conditions during an ozone episode which occurred in June, 2006 are undertaken by increasing or reducing area source emissions in Ciudad Juarez, Chihuahua, Mexico. Two air pollutants are primary drivers in the formation of tropospheric ozone. Oxides of nitrogen (NOx) and volatile organic compounds (VOC) undergo multiple chemical reactions under favorable meteorological conditions to form ozone, which is a secondary pollutant that irritates respiratory systems in sensitive individuals especially the elderly and young children. The U.S. Environmental Protection Agency established National Ambient Air Quality Standards (NAAQS) to limit ambient air pollutants such as ozone by establishing an 8-hour average concentration of 0.075 ppm as the threshold at which a violation of the standard occurs. Ozone forms primarily due reactions in the troposphere of NOx and VOC emissions generated primarily by anthropogenic sources in urban regions. Data from emissions inventories indicate area sources account for ˜15 of NOx and ˜45% of regional VOC emissions. Area sources include gasoline stations, automotive paint bodyshops and nonroad mobile sources. Multiplicity of air pollution emissions sources provides an opportunity to investigate and potentially implement air quality improvement strategies to reduce emissions which contribute to elevated ozone concentrations. A baseline modeling scenario was established using the CAMx photochemical air quality model from which a series of sensitivity analyses for evaluating air quality control strategies were conducted. Modifications to area source emissions were made by varying NOx and / or VOC emissions in the areas of particular interest. Model performance was assessed for each sensitivity analysis. Normalized bias (NB) and normalized error (NE) were used to identify

  1. Sensitivity testing of a 1-D calving criterion numerical model constrained by observations of post-LIA fluctuations of Kangiata Nunaata Sermia, SW Greenland

    NASA Astrophysics Data System (ADS)

    Lea, J. M.; Mair, D.; Nick, F. M.; Rea, B. R.; Schofield, E.; Nienow, P. W.

    2012-12-01

    The ability to successfully model the behaviour of Greenlandic tidewater glaciers is pivotal for the prediction of future behaviour and potential impact on global sea level. However, to have confidence in the results of numerical models, they must be capable of replicating the full range of observed glacier behaviour (i.e. both advance and retreat) when realistic forcings are applied. Due to the paucity of observational records recording this behaviour, it is therefore necessary to verify calving models against reconstructions of glacier dynamics. The dynamics of Kangiata Nunaata Sermia (KNS) can be reconstructed with a high degree of detail using a combination of sedimentological and geomorphological evidence, photographs, historical sources and satellite imagery. Since the LIA-maximum KNS has retreated a total of 21 km with multiple phases of rapid retreat evident between topographic pinning points. A readvance attaining a position 9 km from the current terminus associated with the '1920 stade' is also identified. KNS therefore represents an ideal test location for calving models since it has both advanced and retreated over known timescales, while the scale of fluctuations implies KNS is sensitive to parameter(s) controlling terminus stability. Using the known stable positions for verification, we present the results of an array of sensitivity tests conducted on KNS using the 1-D flowband calving model of Nick et al (2009). The model is initially tuned to an historically stable position where the glacier configuration is accurately known (in this case 1985), and forced by varying surface mass balance, crevasse water depth, submarine melt rate at the calving front, in addition to the strength and pervasiveness of sikussak in the fjord. Successive series of experiments were run using each parameter to test model sensitivity to the initial conditions of each variable. Results indicate that the model is capable of stabilising at locations that are in agreement with

  2. Electron Density and Two-Channel Neutron Emission Measurements in Steady-State Spherical Inertial-Electrostatically Confined Plasmas, with Review of the 1-D Kinetic Model

    NASA Technical Reports Server (NTRS)

    Dobson, Chris C.; Hrbud, Ivana

    2004-01-01

    Electron density measurements have been made in steady-state plasmas in a spherical inertial electrostatic confinement (IEC) discharge using microwave interferometry. Plasma cores interior to two cathodes, having diameters of 15 and 23 cm, respectively, were probed over a transverse range of 10 cm with a spatial resolution of about 1.4 cm for buffer gas pressures from 0.2 to 6 Pa in argon and deuterium. The transverse profiles are generally flat, in some cases with eccentric symmetric minima, and give mean densities of from approx. = 0.4 to 7x 10(exp 10)/cu cm, the density generally increasing with the neutral gas pressure. Numerical solutions of the 1-D Poisson equation for EC plasmas are reviewed and energy distribution functions are identified which give flat transverse profiles. These functions are used with the plasma approximation to obtain solutions which also give densities consistent with the measurements, and a double potential well solution is obtained which has minima qualitatively similar to those observed. Explicit consideration is given to the compatibility of the solutions interior and exterior to the cathode, and to grid transparency. Deuterium fusion neutron emission rates were also measured and found to be isotropic, to within the measurement error, over two simultaneous directions. Anisotropy was observed in residual emissions during operation with non-fusing hydrogen-1. The deuterium rates are consistent with predictions from the model.

  3. Modeling water flow and bacterial transport in undisturbed lysimeters under irrigations of dairy shed effluent and water using HYDRUS-1D.

    PubMed

    Jiang, Shuang; Pang, Liping; Buchan, Graeme D; Simůnek, Jirí; Noonan, Mike J; Close, Murray E

    2010-02-01

    HYDRUS-1D was used to simulate water flow and leaching of fecal coliforms and bromide (Br) through six undisturbed soil lysimeters (70 cm depth by 50 cm diameter) under field conditions. Dairy shed effluent (DSE) spiked with Br was applied to the lysimeters, which contained fine sandy loam layers. This application was followed by fortnightly spray or flood water irrigation. Soil water contents were measured at four soil depths over 171 days, and leachate was collected from the bottom. The post-DSE period simulations yielded a generally decreased saturated water content compared to the pre-DSE period, and an increased saturated hydraulic conductivity and air-entry index, suggesting that changes in soil hydraulic properties (e.g. via changes in structure) can be induced by irrigation and seasonal effects. The single-porosity flow model was successful in simulating water flow under natural climatic conditions and spray irrigation. However, for lysimeters under flood irrigation, when the effect of preferential flow paths becomes more significant, the good agreement between predicted and observed water contents could only be achieved by using a dual-porosity flow model. Results derived from a mobile-immobile transport model suggest that compared to Br, bacteria were transported through a narrower pore-network with less mass exchange between mobile and immobile water zones. Our study suggests that soils with higher topsoil clay content and soils under flood irrigation are at a high risk of bacteria leaching through preferential flow paths. Irrigation management strategies must minimize the effect of preferential flow to reduce bacterial leaching from land applications of effluent.

  4. Modeling water flow and bacterial transport in undisturbed lysimeters under irrigations of dairy shed effluent and water using HYDRUS-1D.

    PubMed

    Jiang, Shuang; Pang, Liping; Buchan, Graeme D; Simůnek, Jirí; Noonan, Mike J; Close, Murray E

    2010-02-01

    HYDRUS-1D was used to simulate water flow and leaching of fecal coliforms and bromide (Br) through six undisturbed soil lysimeters (70 cm depth by 50 cm diameter) under field conditions. Dairy shed effluent (DSE) spiked with Br was applied to the lysimeters, which contained fine sandy loam layers. This application was followed by fortnightly spray or flood water irrigation. Soil water contents were measured at four soil depths over 171 days, and leachate was collected from the bottom. The post-DSE period simulations yielded a generally decreased saturated water content compared to the pre-DSE period, and an increased saturated hydraulic conductivity and air-entry index, suggesting that changes in soil hydraulic properties (e.g. via changes in structure) can be induced by irrigation and seasonal effects. The single-porosity flow model was successful in simulating water flow under natural climatic conditions and spray irrigation. However, for lysimeters under flood irrigation, when the effect of preferential flow paths becomes more significant, the good agreement between predicted and observed water contents could only be achieved by using a dual-porosity flow model. Results derived from a mobile-immobile transport model suggest that compared to Br, bacteria were transported through a narrower pore-network with less mass exchange between mobile and immobile water zones. Our study suggests that soils with higher topsoil clay content and soils under flood irrigation are at a high risk of bacteria leaching through preferential flow paths. Irrigation management strategies must minimize the effect of preferential flow to reduce bacterial leaching from land applications of effluent. PMID:19775719

  5. A 1D radiative-convective model of H2O-CO2 atmospheres around young telluric planets: an update

    NASA Astrophysics Data System (ADS)

    Marcq, Emmanuel; Salvador, Arnaud; Massol, Hélène; Chassefière, Éric

    2016-04-01

    The study of the early phases of the evolution of terrestrial planets has recently known significant progress [1,2]. It appears that their cooling phase during the magma ocean stage is first dominated by a radiative cooling stage through its atmosphere. If the planet is able to reach radiative balance during this stage, then its further evolution is dominated by the escape flux, and no large scale condensation of water occurs (Hamano-type II planets). On the other hand, if the planet is far enough from the sun, then radiative equilibrium cannot be reached until the outgoing flux has fallen below the runaway greenhouse limit, implying the condensation of most atmospheric water vapor into a global water ocean, thus sheltering most water from atmospheric escape (Hamano-type I planet). In the solar system, Earth is clearly a type-I planet, whereas Venus was most likely a type-II planet from quite early on in its history [1,2]. In this presentation, we will deal with the atmospheric radiative model used by [2] and first described in [3]. After describing its recent improvements since [3] (pressure grid enabling an arbitrary total volatile amount, correction of the k-correlated radiative transfer in the thermal radiation, improvement of the numerical stability and integration scheme) and their consequences on the detectability of extrasolar type-I or type-II planets, we will deal with the possible improvements and extensions to such models, such as but not limited to: (1) adopting a 1D-spherical geometry suited for larger atmospheres around smaller planets, (2) improvement of the visible albedo parameterization based on recent 3D-modelling GCM [4]. [1] : K. Hamano et al., Nature (2013) [2] : T. Lebrun et al. JGR (2013) [3] : E. Marcq, JGR (2012) [4] : J. Leconte et al. (2015)

  6. Isoprene: a photochemical kinetic mechanism

    SciTech Connect

    Killus, J.P.; Whitten, G.Z.

    1984-03-01

    A computer-modeling study has produced a photochemical kinetic mechanism for the atmospheric chemistry of isoprene, a naturally occurring common constituent of the troposphere. The kinetic mechnism is ready for use in atmospheric models because the reactions described are shown to adequately reproduce the results of a series of outdoor smog chamber experiments which encompass a wide range of precursor conditions of isoprene and NO/sub x/. Isoprene is a very reactive molecule that can contribute as much as 50% of the overall reactivity of rural air even though isoprene might be only 6% of the ambient hydrocarbon level. The major intermediate products of the atmospheric oxidation of isoprene, methyl vinyl ketone, methacrolein, methylglyoxal, and formaldehyde are also highly reactive. 25 references.

  7. Photochemical ablation of organic solids

    NASA Astrophysics Data System (ADS)

    Yingling, Yaroslava G.; Garrison, Barbara J.

    2003-04-01

    We have investigated by molecular dynamics simulations the ablation of material that is onset by photochemical processes. We compare this system with only photochemical processes to a system containing photochemical and photothermal processes. The simulations reveal that ablation by purely photochemical processes is accompanied by the ejection of relatively cold massive molecular clusters from the surface of the sample. The top of the plume exhibits high temperatures whereas the residual part of the sample is cold. The removal of the damaged material through big molecular cluster ejection is consistent with experimental observations of low heat damage of material.

  8. Potential of high resolution satellite imagery, remote weather data and 1D hydraulic modeling to evaluate flood areas in Gonaives, Haiti

    NASA Astrophysics Data System (ADS)

    Bozza, Andrea; Durand, Arnaud; Allenbach, Bernard; Confortola, Gabriele; Bocchiola, Daniele

    2013-04-01

    We present a feasibility study to explore potential of high-resolution imagery, coupled with hydraulic flood modeling to predict flooding risks, applied to the case study of Gonaives basins (585 km²), Haiti. We propose a methodology working at different scales, providing accurate results and a faster intervention during extreme flood events. The 'Hispaniola' island, in the Caribbean tropical zone, is often affected by extreme floods events. Floods are caused by tropical springs and hurricanes, and may lead to several damages, including cholera epidemics, as recently occurred, in the wake of the earthquake upon January 12th 2010 (magnitude 7.0). Floods studies based upon hydrological and hydraulic modeling are hampered by almost complete lack of ground data. Thenceforth, and given the noticeable cost involved in the organization of field measurement campaigns, the need for exploitation of remote sensing images data. HEC-RAS 1D modeling is carried out under different scenarios of available Digital Elevation Models. The DEMs are generated using optical remote sensing satellite (WorldView-1) and SRTM, combined with information from an open source database (Open Street Map). We study two recent flood episodes, where flood maps from remote sensing were available. Flood extent and land use have been assessed by way of data from SPOT-5 satellite, after hurricane Jeanne in 2004 and hurricane Hanna in 2008. A semi-distributed, DEM based hydrological model is used to simulate flood flows during the hurricanes. Precipitation input is taken from daily rainfall data derived from TRMM satellite, plus proper downscaling. The hydraulic model is calibrated using floodplain friction as tuning parameters against the observed flooded area. We compare different scenarios of flood simulation, and the predictive power of model calibration. The method provide acceptable results in depicting flooded areas, especially considering the tremendous lack of ground data, and show the potential of

  9. Photochemical cutting of fabrics

    DOEpatents

    Piltch, Martin S.

    1994-01-01

    Apparatus for the cutting of garment patterns from one or more layers of fabric. A laser capable of producing laser light at an ultraviolet wavelength is utilized to shine light through a pattern, such as a holographic phase filter, and through a lens onto the one or more layers of fabric. The ultraviolet laser light causes rapid photochemical decomposition of the one or more layers of fabric, but only along the pattern. The balance of the fabric of the one or more layers of fabric is undamaged.

  10. 1D Thermal-Hydraulic-Chemical (THC) Reactive transport modeling for deep geothermal systems: A case study of Groß Schönebeck reservoir, Germany

    NASA Astrophysics Data System (ADS)

    Driba, D. L.; De Lucia, M.; Peiffer, S.

    2014-12-01

    Fluid-rock interactions in geothermal reservoirs are driven by the state of disequilibrium that persists among solid and solutes due to changing temperature and pressure. During operation of enhanced geothermal systems, injection of cooled water back into the reservoir disturbs the initial thermodynamic equilibrium between the reservoir and its geothermal fluid, which may induce modifications in permeability through changes in porosity and pore space geometry, consequently bringing about several impairments to the overall system.Modeling of fluid-rock interactions induced by injection of cold brine into Groß Schönebeck geothermal reservoir system situated in the Rotliegend sandstone at 4200m depth have been done by coupling geochemical modeling Code Phreeqc with OpenGeoSys. Through batch modeling the re-evaluation of the measured hydrochemical composition of the brine has been done using Quintessa databases, the results from the calculation indicate that a mineral phases comprising of K-feldspar, hematite, Barite, Calcite and Dolomite was found to match the hypothesis of equilibrium with the formation fluid, Reducing conditions are presumed in the model (pe = -3.5) in order to match the amount of observed dissolved Fe and thus considered as initial state for the reactive transport modeling. based on a measured composition of formation fluids and the predominant mineralogical assemblage of the host rock, a preliminary 1D Reactive transport modeling (RTM) was run with total time set to 30 years; results obtained for the initial simulation revealed that during this period, no significant change is evident for K-feldspar. Furthermore, the precipitation of calcite along the flow path in the brine results in a drop of pH from 6.2 to a value of 5.2 noticed over the simulated period. The circulation of cooled fluid in the reservoir is predicted to affect the temperature of the reservoir within the first 100 -150m from the injection well. Examination of porosity change in

  11. Investigation of the photochemical changes of chlorogenic acids induced by ultraviolet light in model systems and in agricultural practice with Stevia rebaudiana cultivation as an example.

    PubMed

    Karaköse, Hande; Jaiswal, Rakesh; Deshpande, Sagar; Kuhnert, Nikolai

    2015-04-01

    Mono- and diacyl chlorogenic acids undergo photochemical trans-cis isomerization under ultraviolet (UV) irradiation. The photochemical equilibrium composition was established for eight selected derivatives. In contrast to all other dicaffeoylquinic acid derivatives, cynarin (1,3-dicaffeoylquinic acid) undergoes a [2 + 2] photochemical cycloaddition reaction, constituting a first example of Schmidt's law in a natural product family. The relevance of photochemical isomerization in agricultural practice was investigated using 120 samples of Stevia rebaudiana leave samples grown under defined cultivation conditions. Ratios of cis to trans chlorogenic acids were determined in leaf samples and correlated with climatic and harvesting conditions. The data indicate a clear correlation between the formation of cis-caffeoyl derivatives and sunshine hours prior to harvesting and illustrate the relevance of UV exposure to plant material affecting its phytochemical composition. PMID:25699645

  12. Investigation of the photochemical changes of chlorogenic acids induced by ultraviolet light in model systems and in agricultural practice with Stevia rebaudiana cultivation as an example.

    PubMed

    Karaköse, Hande; Jaiswal, Rakesh; Deshpande, Sagar; Kuhnert, Nikolai

    2015-04-01

    Mono- and diacyl chlorogenic acids undergo photochemical trans-cis isomerization under ultraviolet (UV) irradiation. The photochemical equilibrium composition was established for eight selected derivatives. In contrast to all other dicaffeoylquinic acid derivatives, cynarin (1,3-dicaffeoylquinic acid) undergoes a [2 + 2] photochemical cycloaddition reaction, constituting a first example of Schmidt's law in a natural product family. The relevance of photochemical isomerization in agricultural practice was investigated using 120 samples of Stevia rebaudiana leave samples grown under defined cultivation conditions. Ratios of cis to trans chlorogenic acids were determined in leaf samples and correlated with climatic and harvesting conditions. The data indicate a clear correlation between the formation of cis-caffeoyl derivatives and sunshine hours prior to harvesting and illustrate the relevance of UV exposure to plant material affecting its phytochemical composition.

  13. From Anti-greenhouse Effect of Solar Absorbers to Cooling Effect of Greenhouse Gases: A 1-D Radiative Convective Model Study

    NASA Astrophysics Data System (ADS)

    Shia, R.

    2012-12-01

    The haze layer in Titan's upper atmosphere absorbs 90% of the solar radiation, but is inefficient for trapping infrared radiation generated by the surface. Its existence partially compensates for the greenhouse warming and keeps the surface approximately 9°C cooler than would otherwise be expected from the greenhouse effect alone. This is the so called anti-greenhouse effect (McKay et al., 1991). This effect can be used to alleviate the warming caused by the increasing level of greenhouse gases in the Earth's atmosphere. A one-dimensional radiative convective model (Kasting et al., 2009 and references listed there) is used to investigate the anti-greenhouse effect in the Earth atmosphere. Increasing of solar absorbers, e.g. aerosols and ozone, in the stratosphere reduces the surface solar flux and cool the surface. However, the absorption of the solar flux also increases the temperature in the upper atmosphere, while reduces the temperature at the surface. Thus, the temperature profile of the atmosphere changes and the regions with positive vertical temperature gradient are expanded. According to Shia (2010) the radiative forcing of greenhouse gases is directly related to the vertical temperature gradient. Under the new temperature profile increases of greenhouse gases should have less warming effect. When the solar absorbers keep increasing, eventually most of the atmosphere has positive temperature gradient and increasing greenhouse gases would cool the surface (Shia, 2011). The doubling CO2 scenario in the Earth atmosphere is simulated for different levels of solar absorbers using the 1-D RC model. The model results show that if the solar absorber increases to a certain level that less than 50% solar flux reaching the surface, doubling CO2 cools the surface by about 2 C. This means if the snowball Earth is generated by solar absorbers in the stratosphere, increasing greenhouse gases would make it freeze even more (Shia, 2011). References: Kasting, J. et al

  14. Reduction of the uncertainties in the water level-discharge relation of a 1D hydraulic model in the context of operational flood forecasting

    NASA Astrophysics Data System (ADS)

    Habert, J.; Ricci, S.; Le Pape, E.; Thual, O.; Piacentini, A.; Goutal, N.; Jonville, G.; Rochoux, M.

    2016-01-01

    This paper presents a data-driven hydrodynamic simulator based on the 1-D hydraulic solver dedicated to flood forecasting with lead time of an hour up to 24 h. The goal of the study is to reduce uncertainties in the hydraulic model and thus provide more reliable simulations and forecasts in real time for operational use by the national hydrometeorological flood forecasting center in France. Previous studies have shown that sequential assimilation of water level or discharge data allows to adjust the inflows to the hydraulic network resulting in a significant improvement of the discharge while leaving the water level state imperfect. Two strategies are proposed here to improve the water level-discharge relation in the model. At first, a modeling strategy consists in improving the description of the river bed geometry using topographic and bathymetric measurements. Secondly, an inverse modeling strategy proposes to locally correct friction coefficients in the river bed and the flood plain through the assimilation of in situ water level measurements. This approach is based on an Extended Kalman filter algorithm that sequentially assimilates data to infer the upstream and lateral inflows at first and then the friction coefficients. It provides a time varying correction of the hydrological boundary conditions and hydraulic parameters. The merits of both strategies are demonstrated on the Marne catchment in France for eight validation flood events and the January 2004 flood event is used as an illustrative example throughout the paper. The Nash-Sutcliffe criterion for water level is improved from 0.135 to 0.832 for a 12-h forecast lead time with the data assimilation strategy. These developments have been implemented at the SAMA SPC (local flood forecasting service in the Haute-Marne French department) and used for operational forecast since 2013. They were shown to provide an efficient tool for evaluating flood risk and to improve the flood early warning system

  15. Parameterized isoprene and monoterpene emissions from the boreal forest floor: Implementation into a 1D chemistry-transport model and investigation of the influence on atmospheric chemistry

    NASA Astrophysics Data System (ADS)

    Mogensen, Ditte; Aaltonen, Hermanni; Aalto, Juho; Bäck, Jaana; Kieloaho, Antti-Jussi; Gierens, Rosa; Smolander, Sampo; Kulmala, Markku; Boy, Michael

    2015-04-01

    Volatile organic compounds (VOCs) are emitted from the biosphere and can work as precursor gases for aerosol particles that can affect the climate (e.g. Makkonen et al., ACP, 2012). VOC emissions from needles and leaves have gained the most attention, however other parts of the ecosystem also have the ability to emit a vast amount of VOCs. This, often neglected, source can be important e.g. at periods where leaves are absent. Both sources and drivers related to forest floor emission of VOCs are currently limited. It is thought that the sources are mainly due to degradation of organic matter (Isidorov and Jdanova, Chemosphere, 2002), living roots (Asensio et al., Soil Biol. Biochem., 2008) and ground vegetation. The drivers are biotic (e.g. microbes) and abiotic (e.g. temperature and moisture). However, the relative importance of the sources and the drivers individually are currently poorly understood. Further, the relative importance of these factors is highly dependent on the tree species occupying the area of interest. The emission of isoprene and monoterpenes where measured from the boreal forest floor at the SMEAR II station in Southern Finland (Hari and Kulmala, Boreal Env. Res., 2005) during the snow-free period in 2010-2012. We used a dynamic method with 3 automated chambers analyzed by Proton Transfer Reaction - Mass Spectrometer (Aaltonen et al., Plant Soil, 2013). Using this data, we have developed empirical parameterizations for the emission of isoprene and monoterpenes from the forest floor. These parameterizations depends on abiotic factors, however, since the parameterizations are based on field measurements, biotic features are captured. Further, we have used the 1D chemistry-transport model SOSAA (Boy et al., ACP, 2011) to test the seasonal relative importance of inclusion of these parameterizations of the forest floor compared to the canopy crown emissions, on the atmospheric reactivity throughout the canopy.

  16. Air-snowpack exchange of bromine, ozone and mercury in the springtime Arctic simulated by the 1-D model PHANTAS - Part 2: Mercury and its speciation

    NASA Astrophysics Data System (ADS)

    Toyota, K.; Dastoor, A. P.; Ryzhkov, A.

    2013-08-01

    Atmospheric mercury depletion events (AMDEs) refer to a recurring depletion of mercury in the springtime Arctic (and Antarctic) boundary layer, occurring, in general, concurrently with ozone depletion events (ODEs). To close some of the knowledge gaps in the physical and chemical mechanisms of AMDEs and ODEs, we have developed a one-dimensional model that simulates multiphase chemistry and transport of trace constituents throughout porous snowpack and in the overlying atmospheric boundary layer (ABL). Building on the model reported in a companion paper (Part 1: In-snow bromine activation and its impact on ozone), we have expanded the chemical mechanism to include the reactions of mercury in the gas- and aqueous-phases with temperature dependence of rate and equilibrium constants accounted for wherever possible. Thus the model allows us to study the chemical and physical processes taking place during ODEs and AMDEs within a single framework where two-way interactions between the snowpack and the atmosphere are simulated in a detailed, process-oriented manner. Model runs are conducted for meteorological and chemical conditions representing the springtime Arctic ABL loaded with "haze" sulfate aerosols and the underlying saline snowpack laid on sea ice. Using recent updates for the Hg + Br \\rightleftarrows HgBr reaction kinetics, we show that the rate and magnitude of photochemical loss of gaseous elemental mercury (GEM) during AMDEs exhibit a strong dependence on the choice of reaction(s) of HgBr subsequent to its formation. At 253 K, the temperature that is presumably low enough for bromine radical chemistry to cause prominent AMDEs as indicated from field observations, the parallel occurrence of AMDEs and ODEs is simulated if the reaction HgBr + BrO is assumed to produce a thermally stable intermediate, Hg(OBr)Br, at the same rate constant as the reaction HgBr + Br. On the contrary, the simulated depletion of atmospheric mercury is notably diminished by not

  17. Sensitivity analysis of O{sub 3} and photochemical indicators using a mixed-phase chemistry box model and automatic differentiation technology

    SciTech Connect

    Zhang, Y.; Easter, R.C.; Bischof, C.H.; Wu, P.T.

    1997-12-31

    A comprehensive sensitivity analysis of a multi-phase atmospheric chemical mechanism is conducted under a variety of atmospheric conditions. The ADIFOR automatic differentiation technology is applied to evaluate the local sensitivities of species concentrations in gas, aqueous and aerosol phases with respect to a variety of model parameters. In this paper, sensitivities of tropospheric ozone and photochemical indicators with respect to species initial concentrations, gas-phase reaction rate constants, and aerosol surface uptake coefficients are presented and analyzed. The main gas-phase reaction pathways and aerosol surface uptake processes that affect tropospheric O{sub 3} formation, O{sub 3}-precursor relations and sensitivity of indicators are identified. The most influential gas-phase reactions include the photolytic reactions of NO{sub 2}, O{sub 3}, H{sub 2}O{sub 2}, HCHO, ALD{sub 2} and MGLY, the conversion of NO to NO{sub 2}, the generation and inter-conversion of OH, HO{sub 2} and RO{sub 2} radicals, and the formation and dissociation of oxidants and acids. Photochemical indicators such as O{sub 3}/NO{sub x} and H{sub 2}O{sub 2}/HNO{sub 3} are sensitive to changes in reaction rate constants, initial species concentrations, and uptake coefficients. These indicators are found to have higher sensitivities for hydrocarbon reactions and lower sensitivities for NO{sub x} reactions under polluted conditions as compared to less polluted conditions. Aerosol surface uptake is important when the total surface area is larger than 1,000 {micro}m{sup 2} cm{sup {minus}3}. The identified important heterogeneous processes include aerosol surface uptake of HCHO, O{sub 3}, HO{sub 2}, HNO{sub 3}, NO, NO{sub 2}, N{sub 2}O{sub 5}, PAN, H{sub 2}O{sub 2}, CH{sub 3}O{sub 2} and SO{sub 2}. These uptake processes can affect not only O{sub 3} formation and its sensitivity, but also O{sub 3}-precursor relations and sensitivities of indicators.

  18. Dynamics of ozone and nitrogen oxides at Summit, Greenland. II. Simulating snowpack chemistry during a spring high ozone event with a 1-D process-scale model

    NASA Astrophysics Data System (ADS)

    Murray, Keenan A.; Kramer, Louisa J.; Doskey, Paul V.; Ganzeveld, Laurens; Seok, Brian; Van Dam, Brie; Helmig, Detlev

    2015-09-01

    Observed depth profiles of nitric oxide (NO), nitrogen dioxide (NO2), and ozone (O3) in snowpack interstitial air at Summit, Greenland were best replicated by a 1-D process-scale model, which included (1) geometrical representation of snow grains as spheres, (2) aqueous-phase chemistry confined to a quasi-liquid layer (QLL) on the surface of snow grains, and (3) initialization of the species concentrations in the QLL through equilibrium partitioning with mixing ratios in snowpack interstitial air. A comprehensive suite of measurements in and above snowpack during a high O3 event facilitated analysis of the relationship between the chemistry of snowpack and the overlying atmosphere. The model successfully reproduced 2 maxima (i.e., a peak near the surface of the snowpack at solar noon and a larger peak occurring in the evening that extended down from 0.5 to 2 m) in the diurnal profile of NO2 within snowpack interstitial air. The maximum production rate of NO2 by photolysis of nitrate (NO3-) was approximately 108 molec cm-3 s-1, which explained daily observations of maxima in NO2 mixing ratios near solar noon. Mixing ratios of NO2 in snowpack interstitial air were greatest in the deepest layers of the snowpack at night and were attributed to thermal decomposition of peroxynitric acid, which produced up to 106 molec NO2 cm-3 s-1. Highest levels of NO in snowpack interstitial air were confined to upper layers of the snowpack and observed profiles were consistent with photolysis of NO2. Production of nitrogen oxides (NOx) from NO3- photolysis was estimated to be two orders of magnitude larger than NO production and supports the hypothesis that NO3- photolysis is the primary source of NOx within sunlit snowpack in the Arctic. Aqueous-phase oxidation of formic acid by O3 resulted in a maximum consumption rate of ∼106-107 molec cm-3 s-1 and was the primary removal mechanism for O3.

  19. Polyimides by photochemical cyclopolymerization

    NASA Technical Reports Server (NTRS)

    Meador, Michael A. (Inventor)

    2005-01-01

    The novel polyimides of this invention are derived from Diels-Alder cyclopolymerization of photochemically generated bisdienes with dienophiles, such as bismaleimides, trismaleimides and mixtures thereof with maleimide end-caps. Irradiation of one or more diketones produces two distinct hydroxy o-quinodimethane (photoenol) intermediates. These intermediates are trapped via Diels-Alder cycloaddition with appropriate dienophiles, e.g., bismaleimide and/or trismaleimides to give the corresponding polyimides in quantitative yields. When bismaleimides, trismaleimides or mixtures thereof with maleimide end-caps are used as the dienophile, the resulting polyimides have glass transition temperatures (Tg) as high as 300? C. Polyimide films can be prepared by ultraviolet irradiation of high solids content varnishes of the monomers in a small amount of solvent, e.g., cyclohexanone, dimethyl formamide, N-methylpyrollidone and the like. These novel polyimides are characterized as having high glass transition temperatures, good mechanical properties and improved processing in the manufacture of adhesives, electronic materials and films.

  20. Polyimides by Photochemical Cyclopolymerization

    NASA Technical Reports Server (NTRS)

    Meador, Michael A. (Inventor)

    2005-01-01

    The novel polyimides of this invention are derived from Diels-Alder cyclopolymerization of photochemically generated bisdienes with dienophiles, such as bismaleimides, trismaleimides and mixtures thereof with maleimide endcaps. Irradiation of one or more diketones produces two distinct hydroxy o-quinodimethane (photoenol) intermediates. These intermediates are trapped via Diels-Alder cycloaddition with appropriate dienophiles, e.g., bismaleimide and/or trismaleimides to give the corresponding polyimides in quantitative yields. When bismaleimides, trismaleimides or mixtures thereof with maleimide end-caps are used as the dienophile, the resulting polyimides have glass transition temperatures (Tg) as high as 300 C. Polyimide films can be prepared by ultraviolet irradiation of high solids content varnishes of the monomers in a small amount of solvent, e.g., cyclohexanone, dimethyl formamide, N-methylpyrollidone and the like. These novel polyimides are characterized as having high glass transition temperatures, good mechanical properties and improved processing in the manufacture of adhesives, electronic materials and films.

  1. Simultaneous statistical bias correction of multiplePM2.5 species from a regional photochemical grid model

    EPA Science Inventory

    In recent years environmental epidemiologists have begun utilizing regionalscale air quality computer models to predict ambient air pollution concentrations in health studies instead of or in addition to monitoring data from central sites. The advantages of using such models i...

  2. The application of forest classification from Landsat data as a basis for natural hydrocarbon emission estimation and photochemical oxidant model simulations in southeastern Virginia

    NASA Technical Reports Server (NTRS)

    Salop, J.; Wakelyn, N. T.; Levy, G. F.; Middleton, W. M.; Gervin, J. C.

    1983-01-01

    The possible contribution by natural hydrocarbon emissions to the total ozone budget recorded in the Tidewater region of southeastern Virginia during the height of the summer period was examined. Natural sources investigated were limited to the primary HC emitters and most prevalent natural vegetation, the forests. Three types and their areal coverage were determined for Region VI of the Virginia State Air Pollution Control Board using remotely sensed data from Landsat, a NASA experimental earth resources satellite. Emission factors appropriate to the specific types (coniferous 0.24 x 10 to the 13th, mixed 0.63 x 10 to the 13th, deciduous 1.92 x 10 to the 13th, microgram/h), derived from contemporary procedures, were applied to produce an overall regional emission rate of 2.79 x 10 to the 13th microgram/h for natural non-methane hydrocarbons (NMHC). This rate was used with estimates of the anthropogenic NO(x) and NMHC loading, as input into a photochemical box model. Additional HC loading on the order of that estimated to be produced by the natural forest communities was required in order to reach certain measured summer peak ozone levels as the computer simulation was unable to account for the measured episodic levels on the basis of the anthropogenic inventory alone.

  3. Modeling of photochemical reactions in surface snow: Comparison with field measurements obtained during the OASIS spring campaign 2009 at Barrow, AK

    NASA Astrophysics Data System (ADS)

    Bock, Josué; Jacobi, Hans-Werner

    2010-05-01

    The boundary layer composition in polar or snow covered regions is strongly affected by physical and chemical processes, which take place in the surface snow. Photolysis reactions initiated by solar radiation are particularly important. Among the reactive chemical species present in snow, nitrate can be ubiquitously found and is known to be photolyzed to produce nitrogen oxides, which are subsequently released to the overlying atmosphere. We developed a reaction mechanism for N-containing species in snow to describe the transformation of nitrate to NOx. Laboratory experiments using artificial snow were used to constrain a box model including the snow nitrate chemistry. This allowed to identify major reactions occurring after the photolysis of nitrate as an initial step. The mechanism was further extended to include reactions of hydrogen peroxide and formaldehyde. Finally, the box model was applied to investigate the surface snow chemistry in a natural, polar environment. The model was compared to results obtained in a 36-hour experiment carried out during the OASIS spring campaign 2009 at Barrow, AK. During this period, surface snow samples were collected every 2 hours in order to monitor the concentration evolution of the major reactive species in the snow. The samples were analyzed for compounds like nitrate, nitrite, formaldehyde, hydrogen peroxide, and further non-reactive sea salt components. Moreover, photolysis rates of nitrate, nitrite, and hydrogen peroxide in the snow were calculated based on measurements of in-snow spectral irradiance at different depths within the snow. The box model for snow chemistry was applied to this data set and used to elucidate the role of the various (photo)chemical reactions in the overall budgets of the measured species. Moreover, the effect of the chemical and physical processes on the composition of snow and the exchange of reactive compounds between the surface snow and the atmospheric boundary layer will be presented.

  4. Photochemical weathering and contemporary volatile loss on Mars

    NASA Technical Reports Server (NTRS)

    Huguenin, R. L.

    1987-01-01

    In an earlier series of papers by the author it was proposed that photochemical weathering of Fe(2+) in magnetite and in mafic silicates may be occurring in the contemporary surface environment with a resultant loss of O2 from the atmosphere. Morris and Lauer challenged the photochemical weathering model, proposing that oxidation by radiant heating rather than UV photoelectron emission induced oxidation may have dominated in the authors experiments. Subsequent laboratory studies of photochemical weathering of magnetite described here support the authors original proposal that UV illunimation can indeed drive the oxidation of magnetite under contemporary Martian surface conditions. The negative results of the Morris and Lauer study can now be explained.

  5. Analytical model of solutions of (2+1)-D heat convection equations in a shape memory alloy device immersed in a blood vessel

    NASA Astrophysics Data System (ADS)

    Maher Abourabia, Aly; Hassan, Kawsar Mohammad; Abo-Elghar, Eman Mohammad

    2015-02-01

    We investigate a bio-system composed of a shape memory alloy (SMA) immersed and subjected to heat convection in a blood vessel, affected by heart beats that create a wave motion of long wavelength. The tackled model in (2+1)-D is based on the continuity and momentum equations for the fluid phase, besides; the state of the SMA are described via previous works in the form of statistical distributions of energy for both Martensite and Austenite phases. The solution based on the reductive perturbation technique gives a thermal diffusion-like equation as a key for expressing the temperature and velocity components of the blood. In terms of two cases concerning the difference between the wave numbers in the perpendicular directions, it is found that the system's temperature increases nonlinearly from a minimum initial temperature 293 K (20 °C) up to a maximum value about 316.68 K (43.68 °C), then tends to decrease along the blood flow (anisotropy of K and L) direction. In both cases it is observed that the SMA acquires most of this temperature raising not the blood because of its conventional biological limits (37-40 °C). The range of the heart beats wave numbers characteristic for each person plays an important role in realizing phase changes in the anisotropic case leading to the formation of the hysteresis loops Martensite-Austenite-Martensite or vice versa, according to the energy variation. The entropy generation σ is investigated for the system (Blood + SMA), it predicts that along the flow direction the system gains energy convectively up to a maximum value, then reverses his tendency to gradually loosing energy passing by the equilibrium state, then the system looses energy to the surroundings by the same amount which was gained beforehand. The loss diminishes but stops before arriving to equilibrium again. For certain differences in wave numbers the system starts to store energy again after it passes by the state of equilibrium for the second time. In the

  6. The impact of Bdnf gene deficiency to the memory impairment and brain pathology of APPswe/PS1dE9 mouse model of Alzheimer's disease.

    PubMed

    Rantamäki, Tomi; Kemppainen, Susanna; Autio, Henri; Stavén, Saara; Koivisto, Hennariikka; Kojima, Masami; Antila, Hanna; Miettinen, Pasi O; Kärkkäinen, Elisa; Karpova, Nina; Vesa, Liisa; Lindemann, Lothar; Hoener, Marius C; Tanila, Heikki; Castrén, Eero

    2013-01-01

    Brain-derived neurotrophic factor (BDNF) importantly regulates learning and memory and supports the survival of injured neurons. Reduced BDNF levels have been detected in the brains of Alzheimer's disease (AD) patients but the exact role of BDNF in the pathophysiology of the disorder remains obscure. We have recently shown that reduced signaling of BDNF receptor TrkB aggravates memory impairment in APPswe/PS1dE9 (APdE9) mice, a model of AD. The present study examined the influence of Bdnf gene deficiency (heterozygous knockout) on spatial learning, spontaneous exploratory activity and motor coordination/balance in middle-aged male and female APdE9 mice. We also studied brain BDNF protein levels in APdE9 mice in different ages showing progressive amyloid pathology. Both APdE9 and Bdnf mutations impaired spatial learning in males and showed a similar trend in females. Importantly, the effect was additive, so that double mutant mice performed the worst. However, APdE9 and Bdnf mutations influenced spontaneous locomotion in contrasting ways, such that locomotor hyperactivity observed in APdE9 mice was normalized by Bdnf deficiency. Obesity associated with Bdnf deficiency did not account for the reduced hyperactivity in double mutant mice. Bdnf deficiency did not alter amyloid plaque formation in APdE9 mice. Before plaque formation (3 months), BDNF protein levels where either reduced (female) or unaltered (male) in the APdE9 mouse cortex. Unexpectedly, this was followed by an age-dependent increase in mature BDNF protein. Bdnf mRNA and phospho-TrkB levels remained unaltered in the cortical tissue samples of middle-aged APdE9 mice. Immunohistological studies revealed increased BDNF immunoreactivity around amyloid plaques indicating that the plaques may sequester BDNF protein and prevent it from activating TrkB. If similar BDNF accumulation happens in human AD brains, it would suggest that functional BDNF levels in the AD brains are even lower than reported, which could

  7. Visuo-spatial learning and memory deficits on the Barnes maze in the 16-month-old APPswe/PS1dE9 mouse model of Alzheimer's disease.

    PubMed

    O'Leary, Timothy P; Brown, Richard E

    2009-07-19

    The APPswe/PS1dE9 mouse is a double transgenic model of Alzheimer's disease, which harbors mutant mouse/human amyloid precursor protein (Swedish K594N/M595L) and presenilin-1 genes (PS1-dE9). These mice develop beta-amyloid plaques and exhibit visuo-spatial learning and memory impairment in the Morris water maze (MWM) at 8-12 and 16-18 months of age. To extend these findings, we tested visuo-spatial learning and memory of male and female APPswe/PS1dE9 mice at 16 months of age on the Barnes maze. APPswe/PS1dE9 mice showed impaired acquisition learning using measures of latency, distance traveled, errors and hole deviation scores, and were less likely to use the spatial search strategy to locate the escape hole than wild-type mice. APPswe/PS1dE9 mice also showed a deficit in memory in probe tests on the Barnes maze relative to wild-type mice. Learning and memory deficits, however, were not found during reversal training and reversal probe tests. Sex differences were observed, as male APPswe/PS1dE9 mice had smaller reversal effects than male wild-type mice, but females of each genotype did not differ. Overall, these results replicate previous findings using the MWM, and indicate that APPswe/PS1dE9 mice have impaired visuo-spatial learning and memory at 16 months of age. PMID:19428625

  8. EVALUATING THE PERFORMANCE OF REGIONAL-SCALE PHOTOCHEMICAL MODELING SYSTEMS: PART II--OZONE PREDICTIONS. (R825260)

    EPA Science Inventory

    In this paper, the concept of scale analysis is applied to evaluate ozone predictions from two regional-scale air quality models. To this end, seasonal time series of observations and predictions from the RAMS3b/UAM-V and MM5/MAQSIP (SMRAQ) modeling systems for ozone were spectra...

  9. EVALUATING THE PERFORMANCE OF REGIONAL-SCALE PHOTOCHEMICAL MODELING SYSTEMS: PART I--METEOROLOGICAL PREDICTIONS. (R825260)

    EPA Science Inventory

    In this study, the concept of scale analysis is applied to evaluate two state-of-science meteorological models, namely MM5 and RAMS3b, currently being used to drive regional-scale air quality models. To this end, seasonal time series of observations and predictions for temperatur...

  10. Simultaneous statistical bias correction of multiple PM2.5 species from a regional photochemical grid model

    NASA Astrophysics Data System (ADS)

    Crooks, James L.; Özkaynak, Halûk

    2014-10-01

    In recent years environmental epidemiologists have begun utilizing regional-scale air quality computer models to predict ambient air pollution concentrations in health studies instead of or in addition to data from fixed-site ambient monitors. The advantages of using such models include better spatio-temporal coverage and the capability to predict concentrations of unmonitored pollutants. However, there are also drawbacks, chief among them being that these models can exhibit systematic spatial and temporal biases. In order to use these models in epidemiological investigations it is very important to bias-correct the model surfaces. We present a novel statistical method of spatio-temporal bias correction for the Community Multi-scale Air Quality (CMAQ) model that allows simultaneous bias adjustment of PM2.5 mass and its major constituent species using publically available speciated data from ambient monitors. The method uses mass conservation and the more widespread unspeciated PM2.5 mass observations to constrain the sum of the PM2.5 species' concentrations in locations without speciated monitors. We develop the model in the context of an epidemiological study investigating the association between PM2.5 species' ambient concentrations and birth outcomes throughout the state of New Jersey. Since our exposures of interest are multi-month averages we focus specifically on modeling seasonal bias trends rather than daily biases. Using a cross-validation study we find that our bias-corrected CMAQ results are more accurate than either the original CMAQ output or a spline fit without CMAQ. More interestingly, we find that our model clearly performs better when mass conservation is enforced, and furthermore that our model is competitive with Kriging in a comparison in which the latter has the advantage.

  11. Measurement and Modeling of Optical, Physical, and Photochemical Processes in the Open-Ocean Mixed Layer: Peroxide and Dissolved Organic Matter

    NASA Astrophysics Data System (ADS)

    Sikorski, Richard J.

    The goals of this work were to model H _2O_2 cycling in aquatic systems, and to study the photoproperties of bulk dissolved organic matter (DOM). H_2O _2 is produced photochemically from DOM with an "apparent" quantum yield (AQY; normalized to DOM absorbance) which decreases exponentially as wavelength increases. The primary task of this project was to develop a vertical-flux model of undersea irradiance (300-500 nm). The model varied the path-length and geometry of undersea light with solar zenith angle according to scattering in the atmosphere and water column, and according to the ratio of collimated light to diffuse light. This optical model was then combined with a one-dimensional model of marine surface mixing, which derived structure and dynamics by applying empirically determined stability limits to calculated bulk turbulent kinetic energy and shear turbulence. Using data collected in the eastern Caribbean during 1988, modeled H_2O _2 mixed-layer depth and diel distributions were controlled by mixing dynamics. Preliminary model results made it possible to identify two classes of photoproductive waters, based on the ratio of UV DOM absorption, 330 nm, to visible absorption, 460 nm. H_2O _2 photoproduction was primarily due to 320-360 nm irradiance in the model, while a surprisingly significant fraction of total production occurred at wavelengths greater than 400 nm at depth and at zenith angles greater than 15 degrees. The diel photoproduction of H _2O_2 was notably deeper at midday than would be predicted in a simple non -scattering optical model. DOM fluorescence decayed with irradiation above 330 nm, and intensified with irradiation below 330 nm. The processes were partially photo-reversible, and also reversed slowly in the dark. For new river input, irradiation at 296.7 nm initially bleached fluorescence, with re-intensification occurring upon longer irradiation at the same wavelength. Full -spectral solar irradiation bleached fluorescence. The rates of

  12. The 2.5 THz heterodyne spectrometer THOMAS: Measurement of OH in the middle atmosphere and comparison with photochemical model results

    NASA Astrophysics Data System (ADS)

    Englert, Christoph R.; Schimpf, Birger; Birk, Manfred; Schreier, Franz; Krocka, Michael; Nitsche, Roland G.; Titz, Ruth U.; Summers, Michael E.

    2000-09-01

    The interpretation of recent odd hydrogen measurements in the stratosphere from balloons and in the mesosphere from space indicates a serious lack of understanding in atmospheric HOx chemistry. In order to resolve these persisting problems, coincident measurements of HOx molecules and/or measurements that cover both altitude regions are desirable. In this work, the airborne 2.5THz heterodyne spectrometer Terahertz OH Measurement Airborne Sounder (THOMAS) is introduced. Since the first THOMAS measurements in 1994/1995, the spectrometer was significantly improved by modification or replacement of individual components. The THOMAS instrumental setup and properties are presented together with a retrieval algorithm for atmospheric parameters based on a Phillips-Tikhonov regularization scheme. Furthermore, the results of a complete error assessment are given. In August 1997, during the second CRISTA/MAHRSI campaign (Cryogenic Infrared Spectrometers and Telescopes for the Atmosphere / Middle Atmosphere High Resolution Spectrograph Investigation), OH observations were performed by THOMAS covering altitudes between about 30 and 90 km over a full diurnal cycle. Hydroxyl column densities derived from THOMAS measurements are presented and compared to photochemical model results. The model calculations using the standard HOx chemistry systematically show higher values by about 15% for the 40-90 km and 50-90 km OH columns. Moreover, a recently proposed change of an HOx chemistry reaction rate is included into the comparison which, for the same altitude intervals, yields OH column densities that are about 10% lower than the THOMAS measurements. A detailed comparison of the THOMAS and MAHRSI measurements is presented in a seperate publication [Englert et al., 2000].

  13. Polyimides by Photochemical Cyclopolymerization

    NASA Technical Reports Server (NTRS)

    Meador, Michael A. (Inventor)

    2003-01-01

    The polyimides of this invention are derived from a Diels-Alder cyclopolymerization of a photochemically generated bisdiene with dienophiles, such as bismaleimides, trismaleimides and mixtures thereof with maleimide end-caps. Irradiation of one or more diketones produces two distinct hydroxy o-quinodimethane (photoenol) intermediates. These intermediates are trapped via a Diels-Alder cycloaddition with appropriate dienophiles, e.g., bismaleimide and/or trismaleimides to give the corresponding polyimides in quantitative yields. When bismaleimides, trismaleimides or mixtures thereof with maleimide end-caps are used as the dienophile, the resulting polyimides have glass transition temperatures (Tg) as high as 300 C. Polyimide films can be prepared by ultraviolet irradiation of high solids content varnishes of the monomers in a small amount of solvent, e.g., cyclohexanone, dimethyl formamide, N-methylpyrollidone and the like. These polyimides are characterized as having high glass transition temperatures, good mechanical properties and improved processing in the manufacture of adhesives, electronic materials and films.

  14. Polyesters by Photochemical Cyclopolymerization

    NASA Technical Reports Server (NTRS)

    Meador, Michael A. (Inventor)

    2002-01-01

    The polyesters of this invention are derived from a Diels-Alder cyclopolymerization of a photochemically generated bisdiene with dienophiles, such as di(acrylates), tri (acrylates), di(methacrylates), tri(methacrylates) and mixtures thereof with mono(methacrylates) or mono(acrylate) end-caps. Irradiation of one or more diketones produces two distinct hydroxy o-quinodimethane (photoenol) intermediates. These intermediates are trapped via a Diels-Alder cycloaddition with appropriate dienophiles, e.g., di(acrylates) to give the corresponding in polyesters quantitative yields. When di(acrylates), tri(acrylates) and di and tri(methacrylates) or mixtures thereof with monoacrylate end-caps are used as the dienophile, the resulting polyesters have glass transition temperatures (Tg) as high as 200 C. Polyesters films can be prepared by ultraviolet irradiation of high solids content varnishes of the monomers in a small amount of solvent, e.g., cyclohexanone, dimethyl formamide, N-methylpyrollidone and the like. These polyesters, i.e. polyesters are characterized as having high glass transition temperatures, good mechanical properties and improved processing in the manufacture of composites, adhesives, electronic materials and films.

  15. Soluble Aβ levels correlate with cognitive deficits in the 12-month-old APPswe/PS1dE9 mouse model of Alzheimer's disease.

    PubMed

    Zhang, Wei; Hao, Jian; Liu, Rui; Zhang, Zhuo; Lei, Gesheng; Su, Changjun; Miao, Jianting; Li, Zhuyi

    2011-09-23

    Amyloid-beta peptide (Aβ) is believed to be central in the pathogenesis of Alzheimer's disease (AD) characterized by cognitive deficits. However, it remains uncertain which form(s) of Aβ pathology is responsible for the cognitive deficits in AD. In the present study, the cognitive deficits and the profiles of Aβ pathology were characterized in the 12-month-old APPswe/PS1dE9 double transgenic mice, and their correlations were examined. Compared with non-transgenic littermates, the middle-aged APPswe/PS1dE9 mice exhibited spatial learning and memory deficits in the water maze test and long-term contextual memory deficits in the step-down passive avoidance test. Among the middle-aged APPswe/PS1dE9 mice, hippocampal soluble Aβ1-40 and Aβ1-42 levels were highly correlated with spatial learning deficits and long-term contextual memory deficits, as well as cortical and hippocampal soluble Aβ1-40 and Aβ1-42 levels were strongly correlated with spatial memory deficits. By contrast, no significant correlations were observed between three measures of cognitive functions and amyloid plaque burden (total Aβ plaque load and fibrillar Aβ plaque load), total Aβ levels (Aβ1-40 and Aβ1-42), as well as insoluble Aβ levels (Aβ1-40 and Aβ1-42). Stepwise multiple regression analysis identified hippocampal soluble Aβ1-40 and Aβ1-42 levels as independent factors for predicting the spatial learning deficits and the long-term contextual memory deficits, as well as hippocampal and cortical soluble Aβ1-40 and Aβ1-42 levels as independent factors for predicting the spatial memory deficits in transgenic mice. These results demonstrate that cognitive deficits are highly related to the levels of soluble Aβ in middle-aged APPswe/PS1dE9 mice, in which soluble Aβ levels are only a tiny fraction of the amount of total Aβ levels. Consequently, our findings provide further evidence that soluble Aβ might primarily contribute to cognitive deficits in AD, suggesting that reducing

  16. Two approaches to determining the sea-to-air flux of dimethyl sulfide: Satellite ocean color and a photochemical model with atmospheric measurements

    SciTech Connect

    Thompson, A.M.; Esaias, W.E. ); Iverson, R.L. )

    1990-11-20

    Two estimates of the ocean-to-atmosphere flux of dimethyl sulfide (DMS) are presented to determine the feasibility of using remotely sensed data to map the marine sources of a photoreactive trace gas. First, an empirical relationship between chlorophyll a and DMS in surface seawater is used with NASA coastal zone color scanner (CZCS) data for chlorophyll a pigment to derive a mean DMS flux for a region in the tropical North Atlantic for October 1980. This is compared with the sea-to-air flux derived from a one-dimensional photochemical model that reproduces boundary layer concentrations of O{sub 3}, CO, NO, and hydrocarbon s measured on a cruise at the same location and time (Meteor 56/1). Both evaluations of DMS fluxes are in the range (2-7) {times} 10{sup 9} molecules DMS cm{sup {minus}2} s{sup {minus}1} and agree well with fluxes based on the seawater DMS concentration given by Barnard et al. (1982) for the Meteor cruise. The applicability of the results to strategies for satellite remote sensing of the tropospheric sulfur cycle is discussed. For some species (e.g., DMS) surface sensing of sources is feasible, but only in regions and seasons where phytoplankton pigment is a meaningful marker for biogenic emissions. The general applicability of ocean color to DMS determination awaits the development of an algorithm that can extract distributions of DMS emitting species from the optical signal. For other sulfur constituents (e.g., SO{sub 2}, COS) atmospheric measurements are appropriate for determining tropospheric distribution. Wind, moisture, cloud, precipitation, and temperature data are also required for complete characterization of the marine sulfur cycle.

  17. Two-photon-absorption DNA sensitization via solvated electron production: unraveling photochemical pathways by molecular modeling and simulation.

    PubMed

    Gattuso, Hugo; Dumont, Elise; Marazzi, Marco; Monari, Antonio

    2016-07-21

    DNA photosensitization is one of the physical processes behind photodynamic therapy techniques, i.e. the combined use of photoactive drugs and visible radiation for therapeutical purposes. In this contribution we report the analysis of the photophysical properties of a two-photon absorption dye together with its interaction with DNA. The linear and non-linear optical properties are modeled taking into account the complex environment including dynamic and vibrational effects. It is also clearly demonstrated that the excited state manifold may evolve toward spontaneous photoionization with the production of a solvated electron. In turn both the radical cation and the solvated electron may react with the DNA backbone to produce a strand break; hence we have characterized a phototherapeutic dye that absorbs in the infrared region and is able to work under hypoxidic conditions, i.e. a prodrug of great interest for the potential treatment of solid tumors. PMID:27345613

  18. Photochemical fractionation of 16O in the space medium modeled by resonance excitation of CO by H-Lyman alpha.

    PubMed

    Arrhenius, G; Corrigan, M J; Fitzgerald, R W

    1988-01-01

    Inferences about the formation of primordial matter in our solar system rest on analysis of the earliest preserved materials in meteorites, of the structure of the solar system today, and of matter in evolving stellar systems elsewhere. The isotope distribution in meteorites suggests that molecular excitation processes similar to those observed today in circumstellar regions and dark interstellar clouds were operating in the early solar nebula. Laboratory model experiments together with these observations give evidence on the thermal state of the source medium from which refractory meteoritic dust formed. They indicate that resonance excitation of the broad isotopic bands of molecules such as 12C16O, MgO, O2, AlO, and OH by strong UV line sources such as H-L alpha, Mg II, H beta, and Ca II may induce selective reactions resulting in the anomalous isotopic composition of oxygen and possibly other elements in refractory oxide condensates in meteorites.

  19. Contribution of regional-scale fire events to ozone and PM2.5 air quality estimated by photochemical modeling approaches

    NASA Astrophysics Data System (ADS)

    Baker, K. R.; Woody, M. C.; Tonnesen, G. S.; Hutzell, W.; Pye, H. O. T.; Beaver, M. R.; Pouliot, G.; Pierce, T.

    2016-09-01

    Two specific fires from 2011 are tracked for local to regional scale contribution to ozone (O3) and fine particulate matter (PM2.5) using a freely available regulatory modeling system that includes the BlueSky wildland fire emissions tool, Spare Matrix Operator Kernel Emissions (SMOKE) model, Weather and Research Forecasting (WRF) meteorological model, and Community Multiscale Air Quality (CMAQ) photochemical grid model. The modeling system was applied to track the contribution from a wildfire (Wallow) and prescribed fire (Flint Hills) using both source sensitivity and source apportionment approaches. The model estimated fire contribution to primary and secondary pollutants are comparable using source sensitivity (brute-force zero out) and source apportionment (Integrated Source Apportionment Method) approaches. Model estimated O3 enhancement relative to CO is similar to values reported in literature indicating the modeling system captures the range of O3 inhibition possible near fires and O3 production both near the fire and downwind. O3 and peroxyacetyl nitrate (PAN) are formed in the fire plume and transported downwind along with highly reactive VOC species such as formaldehyde and acetaldehyde that are both emitted by the fire and rapidly produced in the fire plume by VOC oxidation reactions. PAN and aldehydes contribute to continued downwind O3 production. The transport and thermal decomposition of PAN to nitrogen oxides (NOX) enables O3 production in areas limited by NOX availability and the photolysis of aldehydes to produce free radicals (HOX) causes increased O3 production in NOX rich areas. The modeling system tends to overestimate hourly surface O3 at routine rural monitors in close proximity to the fires when the model predicts elevated fire impacts on O3 and Hazard Mapping System (HMS) data indicates possible fire impact. A sensitivity simulation in which solar radiation and photolysis rates were more aggressively attenuated by aerosol in the plume

  20. Hairlike Percutaneous Photochemical Sensors

    NASA Technical Reports Server (NTRS)

    George, Thomas; Loeb, Gerald

    2004-01-01

    Instrumentation systems based on hairlike fiber-optic photochemical sensors have been proposed as minimally invasive means of detecting biochemicals associated with cancer and other diseases. The fiber-optic sensors could be mass-produced as inexpensive, disposable components. The sensory tip of a fiber-optic sensor would be injected through the patient's skin into subcutaneous tissue. A biosensing material on the sensory tip would bind or otherwise react with the biochemical(s) of interest [the analyte(s)] to produce a change in optical properties that would be measured by use of an external photonic analyzer. After use, a fiber-optic sensor could be simply removed by plucking it out with tweezers. A fiber-optic sensor according to the proposal would be of the approximate size and shape of a human hair, and its sensory tip would resemble a follicle. Once inserted into a patient's subcutaneous tissue, the sensor would even more closely resemble a hair growing from a follicle (see Figure 1). The biosensing material on the sensory tip could consist of a chemical and/or cells cultured and modified for the purpose. The biosensing material would be contained within a membrane that would cover the tip. If the membrane were not permeable by an analyte, then it would be necessary to create pores in the membrane that would be large enough to allow analyte molecules to diffuse to the biosensing material, but not so large as to allow cells (if present as part of the biosensing material) to diffuse out. The end of the fiber-optic sensor opposite the sensory tip would be inserted in a fiberoptic socket in the photonic analyzer.

  1. Photochemical aspects related to humic substances

    SciTech Connect

    Frimmel, F.H. )

    1994-01-01

    Dissolved humic substances (HS) show yellow color and relatively strong absorption in the UV range [a(254 nm) ca. 0.04 cm[sup [minus]1] for c(DOC) = 1 mg/L]. This is the basis for photochemical reactions in the photic zone of aquatic systems and in water treatment using IV sources. Even though understanding the mechanisms involved in the energy transfer and the resulting reactions is hampered by the poorly defined structure of HS, reliable information has been gathered on some typical aspects of their photochemistry. The luminescence of HS can be influenced and partly quenched by molecular interactions with other water constituents (e.g., heavy metals and organic micropollutants). The presence of oxygen may lead to the sensitized production of singlet oxygen (O[sub 2]), that can react specifically with substances containing diene structures or low valent sulfur. Because of the presence of these structures in HS, humic molecules will also react with the sensitized products. As a consequence, their biological, chemical, and physical properties are influenced. In addition, HS have a significant impact on the photochemical treatment of organic micropollutants in water. This has to be kept in mind when using photochemical steps for water treatment. The results from model experiments reflecting the conditions in surface water and in water treatment are given and discussed. In the presence of H[sub 2]O[sub 2], irradiation led to a transformation and partial degradation of HS. The rate of photochemical degradation of pesticides (e.g., atrazine) was decreased in the presence of HS. Fe and Mn quenched the luminescence. From this, a decrease of excited states of HS for sensitizing reactions can be deduced. The results suggest the manyfold and significant influences of HS on the photochemistry of aquatic systems. 66 refs., 9 figs., 7 tabs.

  2. Research opportunities in photochemical sciences

    SciTech Connect

    1996-07-01

    The workshop entitled {open_quotes}Research Opportunities in Photochemical Sciences{close_quotes} was initiated by the U.S. Department of Energy (DOE), Office of Energy Research (ER), Office of Basic Energy Sciences (BES), Division of Chemical Sciences. The National Renewable Energy Laboratory (NREL) in Golden, Colorado was requested by ER to host the workshop. It was held February 5-8, 1996 at the Estes Park Conference Center, Estes Park, CO, and attended by about 115 leading scientists and engineers from the U.S., Japan, and Europe; program managers for the DOE ER and Energy Efficiency and Renewable Energy (EERE) programs also attended. The purpose of the workshop was to bridge the communication gap between the practioneers and supporters of basic research in photochemical science and the practioneers and supporters of applied research and development in technologies related to photochemical science. For the purposes of the workshop the definition of the term {open_quotes}photochemical science{close_quotes} was broadened to include homogeneous photochemistry, heterogeneous photochemistry, photoelectrochemistry, photocatalysis, photobiology (for example, the light-driven processes of biological photosynthesis and proton pumping), artificial photosynthesis, solid state photochemistry, and solar photochemistry. The technologies under development through DOE support that are most closely related to photochemical science, as defined above, are the renewable energy technologies of photovoltaics, biofuels, hydrogen energy, carbon dioxide reduction and utilization, and photocatalysis for environmental cleanup of water and air. Individual papers were processed separately for the United states Department of Energy databases.

  3. Investigating ambient ozone formation regimes in neighboring cities of shale plays in the Northeast United States using photochemical modeling and satellite retrievals

    NASA Astrophysics Data System (ADS)

    Chang, Chih-Yuan; Faust, Eric; Hou, Xiangting; Lee, Pius; Kim, Hyun Cheol; Hedquist, Brent C.; Liao, Kuo-Jen

    2016-10-01

    This study investigates long-term (i.e., 2007-2014) fluctuations in ambient ozone formation regimes for cities adjacent to shale plays in the Northeast United States (U.S.). Ozone air quality in many cities of the Northeast U.S. does not meet the U.S. National Ambient Air Quality Standards (NAAQS), and understanding ambient ozone formation regimes is essential to develop effective air pollution mitigation strategies for cities violating the air quality standards. Since 2013, the U.S. has become the world's largest producer of tight oil and natural gas from shale rock, and previous studies show that emissions of air pollutant precursors from shale oil and gas-related activities would have the potential to affect ambient ozone air quality in adjacent cities of shale plays. This work leveraged (1) satellite-retrieved column densities of formaldehyde (HCHO) and nitrogen dioxide (NO2) from multiple instruments (i.e., Ozone Monitoring Instrument (OMI) and Global Ozone Monitoring Experiment-2 (GOME-2)); (2) photochemical air quality modeling and sensitivity analysis; and (3) ratios of satellite-retrieved air pollutant column densities to investigate ambient ozone formation regimes in neighboring cities of shale plays (i.e., Marcellus Shale) in the Northeast U.S. from 2007 to 2014. Our results show that ambient ozone formation in Boston, Pittsburgh, Philadelphia and Washington, D.C. (which are close to Marcellus Shale) was in the NOx -limited or transition regime during the period of study. Ambient ozone formation in New York City was in the transition regime during 2010-2013 and VOC -limited regime during 2007-2009 and in 2014. Based on the result of this study, we conclude that controls NOx emissions would mitigate ozone air pollution from 2007 to 2014 in most of the cities examined in this study. Controls of local VOC emissions would ease ozone air pollution in New York City during the study period. With projected increases in oil and gas production from shale plays in

  4. Photochemical Attenuation of Pesticides in Prairie Potholes

    NASA Astrophysics Data System (ADS)

    Zeng, T.; Arnold, W. A.

    2013-12-01

    DOM appeared to exert the largest effects on the overall photodegradation. Furthermore, a suite of second-order rate constants for reactions of pesticides with PPRIs were derived based on the quenching effect on observed reaction rate constants and measured steady-state concentrations of PPRIs. These rate constants may find practical utility for estimating DOM photochemical reaction rates in addition to data traditionally estimated from model compounds. Overall, our work contributed to a systematic evaluation of the potential for photochemical attenuation of pesticides in near-surface pothole water. Given recent incentives to expand agriculture in the PPR for production of organic crops and corn-based biofuels, this research also calls for the need to properly conserve prairie potholes and to develop regionally-specific, sustainable water resource management and land use strategies.

  5. Stratospheric NO and NO2 profiles at sunset from analysis of high-resolution balloon-borne infrared solar absorption spectra obtained at 33 deg N and calculations with a time-dependent photochemical model

    NASA Technical Reports Server (NTRS)

    Rinsland, C. P.; Boughner, R. E.; Larsen, J. C.; Goldman, A.; Murcray, F. J.; Murcray, D. G.

    1984-01-01

    Simultaneous stratospheric vertical profiles of NO and NO2 at sunset were derived from an analysis of infrared solar absorption spectra recorded from a float altitude of 33 km with an interferometer system during a balloon flight. A nonlinear least squares procedure was used to analyze the spectral data in regions of absorption by NO and NO2 lines. Normalized factors, determined from calculations of time dependent altitude profiles with a detailed photochemical model, were included in the onion peeling analysis to correct for the rapid diurnal changes in NO and NO2 concentrations with time near sunset. The CO2 profile was also derived from the analysis and is reported.

  6. An Apparatus for Photochemical Studies.

    ERIC Educational Resources Information Center

    Winter, M. J.; Winter, P. V.

    1984-01-01

    Describes an apparatus developed for photochemical studies, particularly those involving the fluorescence of halogenated acetones. The apparatus is constructed from equipment normally found in a moderately sized physical chemical laboratory. Also provides background information on some aspects of the photophysics of halogenated propanones. (JN)

  7. Simulations with CAO-3D model of photochemical response caused by precipitating electrons and solar protons at both polar regions during geomagnetic storms in October-November 2003 (preliminary comparison with MIPAS data)

    NASA Astrophysics Data System (ADS)

    Krivolutsky, Alexei A.; Banin, Max; Maik Wissing, Jan; Vyushkova, Tatyana

    Relativistic electrons precipitating from radiation belts and solar protons can penetrate below 100 km into the polar atmosphere sometimes reaching the stratospheric levels wasting its energy and causing the ionization. It leads to additional production of NOx and HOx chemical com-pounds which destroy ozone in the chemical catalytic cycles. One of the strongest geomagnetic storms accompained by a strong Solar Proton Eevent (SPE) occured in October-November 2003. This period was covered also by observations with MIPAS instrument placed on board of ENVISAT satellite. The response of atmospheric chemical composition in both polar regions was studied with CAO-3D photochemical-transport model. In order to calculate ionization rates induced by precipitating electrons and solar protons during late October and November 2003, corresponding proton and electron fluxes in different energetic channels from GOES-10 and POES-15/16 have been used. The Atmospheric Ionization Module Osnabruck -AIMOS /Wissing and Kallenrode, 2009/ was used to calculate 3D fields of ionization rates separately by electrons and protons. Photochemical simulations showed that Northern and Southern po-lar regions had different photochemical response. Such difference mostly is the result of the two factors: polar cap expansion during the geomagnetic storm and the effect of horizontal transport. The calculated members of NOy, HOx, Cly families were preliminary compared with corresponding observed data measured by MIPAS and showed a general agreement. The sensitivity of calculated chemical response to the efficiencies of NOx and HOx production by en-ergetic particles have been studied also. This work was supported by Russian Science Foudation for Basic Research (grant 09-05-009949) and by contract 1-6-08 under Russian Sub-Program "Reseach and Investigation of Antarctica".

  8. Observations and analysis of O(1D) and NH2 line profiles for the coma of comet P/Halley

    NASA Technical Reports Server (NTRS)

    Smyth, William H.; Combi, Michael R.; Roesler, Fred L.; Scherb, Frank

    1995-01-01

    A set of high-resolution Fabry-Perot measurements of the coma of comet P/Halley was acquired in the (O I) 6300 A and NH2 6298.62 A emission lines. These high-resolution measurements provide the first optical observations capable of studying directly the photochemical kinetics and dynamic outflow of the coma. The observations were analyzed by a Monte Carlo Particle Trajectory Model. The agreement of the model and observed line profiles was excellent and verified the underlying dynamics, exothermic photodissociative chemistry, and collisional thermalization in the coma. The somewhat wider intrinsic line profile width for the O(1D) emission in 1986 January compared to 1986 May, is, for example, produced by the larger outflow speeds and gas temperatures nearer perihelion in January. The January O(1D) profile, which is wider than the January NH2 profile, is indicative of the photochemical kinetics in the dissociation of the parent molecules H2O and OH in the coma. The absolute calibration of the observations in 1986 January allowed the production rates for H2O and the NH2-parent molecules to be determined. The average daily water production rates derived from the O(1D) emission data for January 16 and 17 are presented. These very large water production rates are consistent with the extrapolated (and 7.6 day time variable) water production rates determined from the analysis of lower spectral resolution observations for O(1D) and H-alpha emissions that covered the time period up to January 13. The large production rates on January 16 and 17 establish that the maximum water production rate for comet Halley accurred pre-perihelion in January. Implications drawn from comparison with 18 cm radio emission data in January suggest that the peak water production rate was even larger. The average production rate for NH3 determined from the NH2 emission data for January 17 was (1.48 +/- 0.10) x 10(exp 28) molecules/s, yielding an NH3/H2O production rate ratio of 0.55%.

  9. Development and validation of P-MODTRAN7 and P-MCScene, 1D and 3D polarimetric radiative transfer models

    NASA Astrophysics Data System (ADS)

    Hawes, Frederick T.; Berk, Alexander; Richtsmeier, Steven C.

    2016-05-01

    A validated, polarimetric 3-dimensional simulation capability, P-MCScene, is being developed by generalizing Spectral Sciences' Monte Carlo-based synthetic scene simulation model, MCScene, to include calculation of all 4 Stokes components. P-MCScene polarimetric optical databases will be generated by a new version (MODTRAN7) of the government-standard MODTRAN radiative transfer algorithm. The conversion of MODTRAN6 to a polarimetric model is being accomplished by (1) introducing polarimetric data, by (2) vectorizing the MODTRAN radiation calculations and by (3) integrating the newly revised and validated vector discrete ordinate model VDISORT3. Early results, presented here, demonstrate a clear pathway to the long-term goal of fully validated polarimetric models.

  10. Validating a 1-D SVAT model in a range of USA and Australian ecosystems: evidence towards its use as a tool to study Earth's system interactions

    NASA Astrophysics Data System (ADS)

    Petropoulos, G. P.; North, M. R.; Ireland, G.; Srivastava, P. K.; Rendall, D. V.

    2015-03-01

    This paper describes the validation of the SimSphere SVAT model conducted at different ecosystem types in the USA and Australia. Specific focus was given to examining the models' ability in predicting Shortwave Incoming Solar Radiation (Rg), Net Radiation (Rnet), Latent Heat (LE), Sensible Heat (H), Air Temperature at 1.3 m (Tair 1.3 m) and Air Temperature at 50 m (Tair 50 m). Model predictions were compared against corresponding in situ measurements acquired for a total of 72 selected days of the year 2011 obtained from 8 sites belonging to the AmeriFlux (USA) and OzFlux (Australia) monitoring networks. Selected sites were representative of a variety of environmental, biome and climatic conditions, to allow for the inclusion of contrasting conditions in the model evaluation. The application of the model confirmed its high capability in representing the multifarious and complex interactions of the Earth system. Comparisons showed a good agreement between modelled and measured fluxes, especially for the days with smoothed daily flux trends. A good to excellent agreement between the model predictions and the in situ measurements was reported, particularly so for the LE, H, T1.3 m and T 50 m parameters (RMSD = 39.47, 55.06 W m-2, 3.23, 3.77 °C respectively). A systematic underestimation of Rg and Rnet (RMSD = 67.83, 58.69 W m-2, MBE = 67.83, 58.69 W m-2 respectively) was also found. Highest simulation accuracies were obtained for the open woodland savannah and mulga woodland sites for most of the compared parameters. Very high values of the Nash-Sutcliffe efficiency index were also reported for all parameters ranging from 0.720 to 0.998, suggesting a very good model representation of the observations. To our knowledge, this study presents the first comprehensive validation of SimSphere, particularly so in USA and Australian ecosystem types. Findings are important and timely, given the rapidly expanding use of this model worldwide both as an educational and research

  11. Comparative evaluation of 1D and quasi-2D hydraulic models based on benchmark and real-world applications for uncertainty assessment in flood mapping

    NASA Astrophysics Data System (ADS)

    Dimitriadis, Panayiotis; Tegos, Aristoteles; Oikonomou, Athanasios; Pagana, Vassiliki; Koukouvinos, Antonios; Mamassis, Nikos; Koutsoyiannis, Demetris; Efstratiadis, Andreas

    2016-03-01

    One-dimensional and quasi-two-dimensional hydraulic freeware models (HEC-RAS, LISFLOOD-FP and FLO-2d) are widely used for flood inundation mapping. These models are tested on a benchmark test with a mixed rectangular-triangular channel cross section. Using a Monte-Carlo approach, we employ extended sensitivity analysis by simultaneously varying the input discharge, longitudinal and lateral gradients and roughness coefficients, as well as the grid cell size. Based on statistical analysis of three output variables of interest, i.e. water depths at the inflow and outflow locations and total flood volume, we investigate the uncertainty enclosed in different model configurations and flow conditions, without the influence of errors and other assumptions on topography, channel geometry and boundary conditions. Moreover, we estimate the uncertainty associated to each input variable and we compare it to the overall one. The outcomes of the benchmark analysis are further highlighted by applying the three models to real-world flood propagation problems, in the context of two challenging case studies in Greece.

  12. The coupling of WEPP and 3ST1D numerical models for improved estimation of runoff and sediment yield at watershed scales

    Technology Transfer Automated Retrieval System (TEKTRAN)

    One of the major problems in watershed hydrology is to accurately simulate the transport of water and sediment from their sources to the watershed outlet. Current numerical models have been extensively used to determine upland erosion, but their application is primarily limited to the field/hillslop...

  13. Modeling of the D1/D2 proteins and cofactors of the photosystem II reaction center: implications for herbicide and bicarbonate binding.

    PubMed Central

    Xiong, J.; Subramaniam, S.; Govindjee

    1996-01-01

    A three-dimensional model of the photosystem II (PSII) reaction center from the cyanobacterium Synechocystis sp. PCC 6803 was generated based on homology with the anoxygenic purple bacterial photosynthetic reaction centers of Rhodobacter sphaeroides and Rhodopseudomonas viridis, for which the X-ray crystallographic structures are available. The model was constructed with an alignment of D1 and D2 sequences with the L and M subunits of the bacterial reaction center, respectively, and by using as a scaffold the structurally conserved regions (SCRs) from bacterial templates. The structurally variant regions were built using a novel sequence-specific approach of searching for the best-matched protein segments in the Protein Data Bank with the "basic local alignment search tool" (Altschul SF, Gish W, Miller W, Myers EW, Lipman DJ, 1990, J Mol Biol 215:403-410), and imposing the matching conformational preference on the corresponding D1 and D2 regions. The structure thus obtained was refined by energy minimization. The modeled D1 and D2 proteins contain five transmembrane alpha-helices each, with cofactors (4 chlorophylls, 2 pheophytins, 2 plastoquinones, and a non-heme iron) essential for PSII primary photochemistry embedded in them. A beta-carotene, considered important for PSII photoprotection, was also included in the model. Four different possible conformations of the primary electron donor P680 chlorophylls were proposed, one based on the homology with the bacterial template and the other three on existing experimental suggestions in literature. The P680 conformation based on homology was preferred because it has the lowest energy. Redox active tyrosine residues important for P680+ reduction as well as residues important for PSII cofactor binding were analyzed. Residues involved in interprotein interactions in the model were also identified. Herbicide 3-(3,4-dichlorophenyl)-1,1-dimethylurea (DCMU) was also modeled in the plastoquinone QB binding niche using the

  14. Photochemical properties of multi-azobenzene compounds.

    PubMed

    Bahrenburg, Julia; Sievers, Claudia M; Schönborn, Jan Boyke; Hartke, Bernd; Renth, Falk; Temps, Friedrich; Näther, Christian; Sönnichsen, Frank D

    2013-03-01

    A systematic study is reported of the photochemical properties of the multi-azobenzene compounds bis[4-(phenylazo)phenyl]amine (BPAPA) and tris[4-(phenylazo)phenyl]amine (TPAPA) compared to the parent molecule 4-aminoazobenzene (AAB). The bis- and tris-azobenzenes were synthesised by a variant of the Ullmann reaction and exist in their stable all-E forms at room temperature. Striking changes in the spectral positions and intensities of their first ππ* absorption bands compared to AAB reveal strong electronic coupling between the AB units. The nature of the excited states was explored by quantum chemical calculations at the approximate coupled-cluster (CC2) level. Upon UV/VIS irradiation, the molecules isomerise to the Z-isomer (AAB), ZE- and ZZ-isomers (BPAPA), and ZEE-, ZZE- and ZZZ-isomers (TPAPA), respectively. The photoswitching behaviours were investigated by UV/VIS and NMR spectroscopies. All individual isomers were detected by one-dimensional (1D) (1)H NMR spectroscopy (BPAPA) and two-dimensional (2D) HSQC NMR spectroscopy (TPAPA). A kinetic analysis provided the isomer-specific thermal lifetimes. The variance of the thermal lifetimes demonstrates a dependence of the Z-E isomerisation on the chromophore size and number of AB units. PMID:23224342

  15. 1D modelling of nanosecond laser ablation of copper samples in argon at P = 1 atm with a wavelength of 532 nm

    NASA Astrophysics Data System (ADS)

    Clair, Guillaume; L'Hermite, Daniel

    2011-10-01

    A one-dimensional model is developed for nanosecond laser ablation of a metal target (Cu) in a background gas (Ar) at any pressure. Simulations are performed with a 6 ns FWHM Gaussian laser pulse at 532 nm with a fluence of 11.3 J.cm-2. Heating, melting, evaporation, and condensation are considered to model the laser-target interaction. Expansion of the plume is investigated solving the Euler equations in a lagrangian formalism. Plasma formation is taken into account by computing the ionic species densities up to the second order of ionization in both the ablated material and the background gas. Such formation implies a strong laser-plasma interaction, assuming that the absorption phenomena are photoionization, electron-atom, and electron-ion inverse Bremsstrahlung. Radiative losses are supposed to be only described by electron-ion Bremsstrahlung. Preliminary results are presented and discussed.

  16. Photochemical synthesis of gold nanorods.

    PubMed

    Kim, Franklin; Song, Jae Hee; Yang, Peidong

    2002-12-01

    Gold nanorods have been synthesized by photochemically reducing gold ions within a micellar solution. The aspect ratio of the rods can be controlled with the addition of silver ions. This process reported here is highly promising for producing uniform nanorods, and more importantly it will be useful in resolving the growth mechanism of anisotropic metal nanoparticles due to its simplicity and the relatively slow growth rate of the nanorods. PMID:12452700

  17. Effects of Spinal and Peripheral Injection of α1A or α1D Adrenoceptor Antagonists on Bladder Activity in Rat Models with or without Bladder Outlet Obstruction

    PubMed Central

    Kim, Jae Heon; Shim, Ji Sung; Kang, Seung Chul; Shim, Kang Soo; Park, Jae Young; Moon, Du Geon; Lee, Jeong Gu

    2011-01-01

    Purpose Antagonists of α1-adrenergic receptors (α1ARs) relax prostate smooth muscle and relieve voiding and storage symptoms. Recently, increased expression of α1ARs with change of its subtype expression has been proved in bladder outlet obstruction (BOO). To search for the evidence of changes in α1ARs subtype expression and activity in the peripheral and spinal routes, the effects of spinal and peripheral administration of tamsulosin (an α1A/D-selective AR), naftopidil (an α1A/D-selective AR), and doxazosin (non-selective AR) on bladder activity were investigated in a rat model with or without BOO. Methods A total of 65 female Sprague-Dawley rats were divided into the BOO surgery group (n=47) and the sham surgery group (n=18). After 6 weeks, cystometry was assessed before and after intrathecal and intra-arterial administrations of tamsulosin, naftopidil, and doxazosin. Results After intra-arterial administrations of all three drugs, bladder capacity (BC) was increased and maximal intravesical pressure (Pmax) was decreased in both BOO and the sham rat models (P<0.05). After intrathecal administration of all three drugs, BC was increased and Pmax was decreased in only the BOO group. The episodes of involuntary contraction in the BOO rat models were decreased by intra-arterial administration (P=0.031). The increase of BC after intrathercal and intra-arterial administrations of α1ARs was significantly greater in the BOO group than in the sham group (P=0.023, P=0.041). In the BOO group, the increase of BC and decrease in Pmax were greater by intra-arterial administration than by intrathecal administration (P=0.035). There were no significant differences of the degrees of changes in the cystometric parameters among the three different α1ARs. Conclusions Up-regulations of the α1ARs in BOO were observed by the greater increases of BC after α1AR antagonist administrations in the BOO group than in the sham group. However, there were no subtype differences of the

  18. NASA Data Evaluation: 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.; Fleming, E. L.; Friedl, R.; Huie, R. E.; Jackman, C. H.; Kolb, C. E., Jr.; Kurylo, M. J., III; Orkin, V. L.; Wine, P. H.

    2014-12-01

    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 was originally established in 1977 by the NASA Upper Atmosphere Research Program Office to provide a critical evaluation of kinetic and photochemical data for use in laboratory studies and in atmospheric modeling of stratospheric ozone. Today, the NASA data panel evaluations have a broader atmospheric focus and include Ox, O(1D), singlet O2, HOx, NOx, Organic, FOx, ClOx, BrOx, IOx, SOx, and Na reactions, three-body reactions, equilibrium constants, photochemistry, aqueous chemistry, heterogeneous chemistry and processes, and thermodynamic parameters. The 2011 evaluation (JPL 10-6 available at http://jpldataeval.jpl.nasa.gov.) includes the comprehensive coverage of ~670 bimolecular reactions, 75 three-body reactions, 24 equilibrium constants, 215 photochemical species, 355 aqueous and heterogeneous processes, thermodynamic parameters for 590 species, and over 4000 literature citations. Each evaluation includes (1) recommended values (e.g. rate coefficients, absorption cross sections, and uptake coefficients) with estimated uncertainty factors and (2) a note describing the available experimental and theoretical data and explanation for the recommendation. As new studies have become available over the years the recommendations are critically reviewed and updated as warranted (the next evaluation is scheduled for release in early 2015). This presentation provides an overview of the NASA data panel evaluation process and the methodology used to estimate uncertainties. Examples on

  19. Part i: Lie-Backlund Theory and Linearization of Differential Equations. Part II: Monte Carlo Simulations of 1-D Quantum Spin Models.

    NASA Astrophysics Data System (ADS)

    Cullen, John J.

    Part I begins with an account of groups of Lie -Back-lund (L-B) tangent transformations; it is then shown that L-B symmetry operators depending on integrals (nonlocal variables), such as discussed by Konopelchenko and Mokhnachev (1979), are related by change of variables to the L-B operators which involve no more than derivatives. A general method is set down for transforming a given L-B operator into a new one, by any invertible transformation depending on (. . ., D(,x)('-1) u, u, u(,x), . . .). It is shown that once a given differential equation admits a L-B operator, there is in general a very large number of related ("secondary") equations which admit the same operator. The L-B Theory involving nonlocal variables is used to characterize group theoretically the linearization both of the Burgers equation, u(,t) + uu(,x) - u(,xx) = 0, and of the o.d.e. u(,xx) + (omega)('2)(x)u + Ku('-3) = 0. Secondary equations are found to play an important role in understanding the group theoretical background to the linearization of differential equations. Part II deals with Monte Carlo simulations of the l-d quantum Heisenberg and XY-models, using an approach suggested by Suzuki (1976). The simulation is actually carried out on a 2-d, m x N, Isinglike system, equivalent to the original N-spin quantum system when m (--->) (INFIN). The results for m (LESSTHEQ) 10 and kT/(VBAR)J(VBAR) (GREATERTHEQ) .0125 are good enough to show that the method is generally applicable to quantum spin models; however some difficulties caused by singular bonding in the classical lattice (Wiesler 1982) and by the generation of unwanted states have to be taken into account in practice. The finite-size scaling method of Fisher and Ferdinard is adapted for use near T = 0 in the ferromagnetic Heisenberg model; applied to the simulation data it shows that the low temperature susceptibiltiy behaves at T('-(gamma)), where (gamma) = 1.32 (+OR-) 10%. Also, simple and potentially useful finite-size scaling

  20. Approximate photochemical dynamics of azobenzene with reactive force fields

    SciTech Connect

    Li, Yan; Hartke, Bernd

    2013-12-14

    We have fitted reactive force fields of the ReaxFF type to the ground and first excited electronic states of azobenzene, using global parameter optimization by genetic algorithms. Upon coupling with a simple energy-gap transition probability model, this setup allows for completely force-field-based simulations of photochemical cis→trans- and trans→cis-isomerizations of azobenzene, with qualitatively acceptable quantum yields. This paves the way towards large-scale dynamics simulations of molecular machines, including bond breaking and formation (via the reactive force field) as well as photochemical engines (presented in this work)

  1. Mapping deep-sea hydrothermal deposits with an in-loop transient electromagnetic method: Insights from 1D forward and inverse modeling

    NASA Astrophysics Data System (ADS)

    Jang, Hangilro; Kim, Hee Joon

    2015-12-01

    In transient electromagnetic (TEM) measurements, secondary fields that contain information on conductive targets such as hydrothermal mineral deposits in the seafloor can be measured in the absence of strong primary fields. A TEM system using a loop source is useful to the development of compact, autonomous instruments, which are well suited to submersible-based surveys. In this paper, we investigate the possibility of applying an in-loop TEM system to the detection of marine hydrothermal deposits through a one-dimensional modeling and inversion study. We examine step-off responses for a layered model and compare the characteristics of horizontal and vertical loop systems for detecting hydrothermal deposits. The feasibility study shows that TEM responses are very sensitive to a highly conductive layer. Time-domain target responses are larger and appear earlier in horizontal magnetic fields than in vertical ones, although the vertical field has 2-3 times larger magnitude than the horizontal one. An inverse problem is formulated with the Gauss-Newton method and solved with the damped and smoothness-constrained least-squares approach. The test example for a marine hydrothermal TEM survey demonstrated that the depth extent, conductivity and thickness of the highly conductive layer are well resolved.

  2. Regional subsidence modelling in Murcia city (SE Spain) using 1-D vertical finite element analysis and 2-D interpolation of ground surface displacements

    NASA Astrophysics Data System (ADS)

    Tessitore, S.; Fernández-Merodo, J. A.; Herrera, G.; Tomás, R.; Ramondini, M.; Sanabria, M.; Duro, J.; Mulas, J.; Calcaterra, D.

    2015-11-01

    Subsidence is a hazard that may have natural or anthropogenic origin causing important economic losses. The area of Murcia city (SE Spain) has been affected by subsidence due to groundwater overexploitation since the year 1992. The main observed historical piezometric level declines occurred in the periods 1982-1984, 1992-1995 and 2004-2008 and showed a close correlation with the temporal evolution of ground displacements. Since 2008, the pressure recovery in the aquifer has led to an uplift of the ground surface that has been detected by the extensometers. In the present work an elastic hydro-mechanical finite element code has been used to compute the subsidence time series for 24 geotechnical boreholes, prescribing the measured groundwater table evolution. The achieved results have been compared with the displacements estimated through an advanced DInSAR technique and measured by the extensometers. These spatio-temporal comparisons have showed that, in spite of the limited geomechanical data available, the model has turned out to satisfactorily reproduce the subsidence phenomenon affecting Murcia City. The model will allow the prediction of future induced deformations and the consequences of any piezometric level variation in the study area.

  3. Air-snowpack exchange of bromine, ozone and mercury in the springtime Arctic simulated by the 1-D model PHANTAS - Part 2: Mercury and its speciation

    NASA Astrophysics Data System (ADS)

    Toyota, K.; Dastoor, A. P.; Ryzhkov, A.

    2014-04-01

    Atmospheric mercury depletion events (AMDEs) refer to a recurring depletion of mercury occurring in the springtime Arctic (and Antarctic) boundary layer, in general, concurrently with ozone depletion events (ODEs). To close some of the knowledge gaps in the physical and chemical mechanisms of AMDEs and ODEs, we have developed a one-dimensional model that simulates multiphase chemistry and transport of trace constituents throughout porous snowpack and in the overlying atmospheric boundary layer (ABL). This paper constitutes Part 2 of the study, describing the mercury component of the model and its application to the simulation of AMDEs. Building on model components reported in Part 1 ("In-snow bromine activation and its impact on ozone"), we have developed a chemical mechanism for the redox reactions of mercury in the gas and aqueous phases with temperature dependent reaction rates and equilibrium constants accounted for wherever possible. Thus the model allows us to study the chemical and physical processes taking place during ODEs and AMDEs within a single framework where two-way interactions between the snowpack and the atmosphere are simulated in a detailed, process-oriented manner. Model runs are conducted for meteorological and chemical conditions that represent the springtime Arctic ABL characterized by the presence of "haze" (sulfate aerosols) and the saline snowpack on sea ice. The oxidation of gaseous elemental mercury (GEM) is initiated via reaction with Br-atom to form HgBr, followed by competitions between its thermal decomposition and further reactions to give thermally stable Hg(II) products. To shed light on uncertain kinetics and mechanisms of this multi-step oxidation process, we have tested different combinations of their rate constants based on published laboratory and quantum mechanical studies. For some combinations of the rate constants, the model simulates roughly linear relationships between the gaseous mercury and ozone concentrations as

  4. Photochemical Explanation for Sprites

    NASA Technical Reports Server (NTRS)

    Borucki, W. J.; Cuzzi, Jeffrey N. (Technical Monitor)

    1994-01-01

    Lightning-induced discharges occurring well above clouds showing vigorous lightning activity have recently been observed from high flying aircraft and the space shuttle. The nature of, and mechanisms that produce, these "sprites" are unknown. A numerical model has been constructed to investigate the possibility that ultraviolet light emitted by the hot discharge columns at the cloud top penetrate to sufficiently high altitudes that atomic and molecular species present at those altitudes are excited and then produce the visible light by fluorescence. calculations show that at altitudes above the clouds, strong absorption by oxygen and ozone removes most of radiation at photoreactive wavelengths with the exception of a narrow band at 200 nm. Further calculations are being performed to identify the species responsible for the radiation.

  5. 1D-VAR Retrieval Using Superchannels

    NASA Technical Reports Server (NTRS)

    Liu, Xu; Zhou, Daniel; Larar, Allen; Smith, William L.; Schluessel, Peter; Mango, Stephen; SaintGermain, Karen

    2008-01-01

    Since modern ultra-spectral remote sensors have thousands of channels, it is difficult to include all of them in a 1D-var retrieval system. We will describe a physical inversion algorithm, which includes all available channels for the atmospheric temperature, moisture, cloud, and surface parameter retrievals. Both the forward model and the inversion algorithm compress the channel radiances into super channels. These super channels are obtained by projecting the radiance spectra onto a set of pre-calculated eigenvectors. The forward model provides both super channel properties and jacobian in EOF space directly. For ultra-spectral sensors such as Infrared Atmospheric Sounding Interferometer (IASI) and the NPOESS Airborne Sounder Testbed Interferometer (NAST), a compression ratio of more than 80 can be achieved, leading to a significant reduction in computations involved in an inversion process. Results will be shown applying the algorithm to real IASI and NAST data.

  6. Changes in the brain and plasma Aβ peptide levels with age and its relationship with cognitive impairment in the APPswe/PS1dE9 mouse model of Alzheimer's disease.

    PubMed

    Izco, M; Martínez, P; Corrales, A; Fandos, N; García, S; Insua, D; Montañes, M; Pérez-Grijalba, V; Rueda, N; Vidal, V; Martínez-Cué, C; Pesini, P; Sarasa, M

    2014-03-28

    Double transgenic mice expressing mutant amyloid precursor protein (APPswe) and mutant presenilin 1 (PS1dE9) are a model of Alzheimer-type amyloidosis and are widely used in experimental studies. In the present work, the relationships between brain and plasma amyloid-β peptide (Aβ) levels and cognitive impairments were examined in male APPswe/PS1dE9 double transgenic mice at different ages. When compared with non-transgenic littermates, APPswe/PS1dE9 mice exhibited significant learning deficits from the age of 6months (M6), which were aggravated at later stages of life (M8 and M12). Sporadic brain amyloid plaques were observed in mice as early as M3 and progressively increased in number and size up to M12. A similar increase was observed in brain insoluble Aβ levels as assessed by enzyme-linked immunosorbent assay (ELISA). In particular, the levels of brain insoluble Aβ peptides rose steeply from M4 to M6. Interestingly, this pronounced amyloid deposition was accompanied by a temporary fall in the concentration of brain soluble and membrane-bound Aβ peptides at M6 that rose again at M8 and M12. The plasma levels of Aβ40 and Aβ42 decreased with advancing age up to M8, when they stabilized at M12. This decrease in plasma Aβ levels coincided with the observed increase in insoluble brain Aβ levels. These results could be useful for developing plasma Aβ levels as possible biomarkers of the cerebral amyloidosis and provide advances in the knowledge of the Aβ peptide biochemical changes that occur in the brain of Alzheimer's disease patients.

  7. Quench in the 1D Bose-Hubbard model: Topological defects and excitations from the Kosterlitz-Thouless phase transition dynamics

    PubMed Central

    Dziarmaga, Jacek; Zurek, Wojciech H.

    2014-01-01

    Kibble-Zurek mechanism (KZM) uses critical scaling to predict density of topological defects and other excitations created in second order phase transitions. We point out that simply inserting asymptotic critical exponents deduced from the immediate vicinity of the critical point to obtain predictions can lead to results that are inconsistent with a more careful KZM analysis based on causality – on the comparison of the relaxation time of the order parameter with the “time distance” from the critical point. As a result, scaling of quench-generated excitations with quench rates can exhibit behavior that is locally (i.e., in the neighborhood of any given quench rate) well approximated by the power law, but with exponents that depend on that rate, and that are quite different from the naive prediction based on the critical exponents relevant for asymptotically long quench times. Kosterlitz-Thouless scaling (that governs e.g. Mott insulator to superfluid transition in the Bose-Hubbard model in one dimension) is investigated as an example of this phenomenon. PMID:25091996

  8. Late Variscan tectonothermal history of the Holy Cross Mts. (central Poland) as revealed by integrated palaeomagnetic and 1-D basin modelling study

    NASA Astrophysics Data System (ADS)

    Grabowski, J.; Narkiewicz, M.; Szaniawski, R.; Resak, M.; Littke, R.

    2009-04-01

    Classical outcrops of the Holy Cross Mountains (HCM) in Poland are among a few areas in Central Europe exposing a complete succession of Phanerozoic strata. The long-studied Palaeozoic sections are of a key importance to understand a complex Phanerozoic development in the region bordering the East European Craton from the south-west. The Palaeozoic core of HCM consists of two tectonostratigraphic units: southern (Kielce) and northern (Łysogóry), separated by a Holy Cross Fault. Different organic maturity data (conodont CAI, vitrinite reflectance - VR, biomarkers) consistently indicate an important difference in thermal alteration pattern between the pre-Permian Palaeozoic and the Permian-Mesozoic cover in the Kielce region. In its northern part, adjoining the Holy Cross Fault, the Devonian carbonates are characterized by VR≥0.7 % and CAI 1.5-3.5, while in the south they are less altered thermally, displaying VR≤0.65 % and CAI 1.0-1.5. On the other hand, Permian-Mesozoic cover reveals a uniformly low degree of thermal alteration (VR close to 0.6 % and CAI 1). Palaeomagnetic studies and thermal modelling were performed in outcrops and borehole sections of the Middle - Upper Devonian carbonates, situated in the areas of contrasting thermal histories. Rocks with a higher degree of thermal alteration revealed presence of secondary, most-probably post-folding magnetization residing in magnetite (component A). The age of this remagnetization might be estimated as Early Permian (ca. 290 - 260 Ma). The remagnetization is absent in the less thermally altered areas, where a pre- or early synfolding magnetization was preserved (component B). As presence of the component A correlates with thermal indexes, it might be concluded that its acquisition was controlled mostly by post-orogenic uplift and cooling. Radiogenic 87Sr/86Sr isotope ratios in carbonates do not coincide with occurrence of component A which means that chemical remagnetization due to influence of deeper

  9. Complex Equilibria Changing in Photochemical Reaction: Computerized Evaluation and Simulation.

    ERIC Educational Resources Information Center

    Horvath, Otto; Papp, Sandor

    1988-01-01

    States that if photochemical reactions can be followed spectrophotometrically, reactivities can be estimated by evaluating data from only one curve. Studies such a system using computerized evaluation and simulation. Uses chlorocuprate(II) complexes in acetonitrile solutions for the model systems. (MVL)

  10. Constraining Source Locations of Shallow Subduction Megathrust Earthquakes in 1-D and 3-D Velocity Models - A Case Study of the 2002 Mw=6.4 Osa Earthquake, Costa Rica

    NASA Astrophysics Data System (ADS)

    Grevemeyer, I.; Arroyo, I. G.

    2015-12-01

    Earthquake source locations are generally routinely constrained using a global 1-D Earth model. However, the source location might be associated with large uncertainties. This is definitively the case for earthquakes occurring at active continental margins were thin oceanic crust subducts below thick continental crust and hence large lateral changes in crustal thickness occur as a function of distance to the deep-sea trench. Here, we conducted a case study of the 2002 Mw 6.4 Osa thrust earthquake in Costa Rica that was followed by an aftershock sequence. Initial relocations indicated that the main shock occurred fairly trenchward of most large earthquakes along the Middle America Trench off central Costa Rica. The earthquake sequence occurred while a temporary network of ocean-bottom-hydrophones and land stations 80 km to the northwest were deployed. By adding readings from permanent Costa Rican stations, we obtain uncommon P wave coverage of a large subduction zone earthquake. We relocated this catalog using a nonlinear probabilistic approach using a 1-D and two 3-D P-wave velocity models. The 3-D model was either derived from 3-D tomography based on onshore stations and a priori model based on seismic refraction data. All epicentres occurred close to the trench axis, but depth estimates vary by several tens of kilometres. Based on the epicentres and constraints from seismic reflection data the main shock occurred 25 km from the trench and probably along the plate interface at 5-10 km depth. The source location that agreed best with the geology was based on the 3-D velocity model derived from a priori data. Aftershocks propagated downdip to the area of a 1999 Mw 6.9 sequence and partially overlapped it. The results indicate that underthrusting of the young and buoyant Cocos Ridge has created conditions for interpolate seismogenesis shallower and closer to the trench axis than elsewhere along the central Costa Rica margin.

  11. Assessing the applicability of the 1D flux theory to full-scale secondary settling tank design with a 2D hydrodynamic model.

    PubMed

    Ekama, G A; Marais, P

    2004-02-01

    The applicability of the one-dimensional idealized flux theory (1DFT) for the design of secondary settling tanks (SSTs) is evaluated by comparing its predicted maximum surface overflow (SOR) and solids loading (SLR) rates with that calculated with the two-dimensional computational fluid dynamics model SettlerCAD using as a basis 35 full-scale SST stress tests conducted on different SSTs with diameters from 30 to 45m and 2.25-4.1m side water depth (SWD), with and without Stamford baffles. From the simulations, a relatively consistent pattern appeared, i.e. that the 1DFT can be used for design but its predicted maximum SLR needs to be reduced by an appropriate flux rating, the magnitude of which depends mainly on SST depth and hydraulic loading rate (HLR). Simulations of the Watts et al. (Water Res. 30(9)(1996)2112) SST, with doubled SWDs and the Darvill new (4.1m) and old (2.5m) SSTs with interchanged depths, were run to confirm the sensitivity of the flux rating to depth and HLR. Simulations with and without a Stamford baffle were also performed. While the design of the internal features of the SST, such as baffling, has a marked influence on the effluent SS concentration while the SST is underloaded, these features appeared to have only a small influence on the flux rating, i.e. capacity, of the SST. Until more information is obtained, it would appear from the simulations that the flux rating of 0.80 of the 1DFT maximum SLR recommended by Ekama and Marais (Water Pollut. Control 85(1)(1986)101) remains a reasonable value to apply in the design of full-scale SSTs-for deep SSTs (4m SWD) the flux rating could be increased to 0.85 and for shallow SSTs (2.5m SWD) decreased to 0.75. It is recommended that (i) while the apparent interrelationship between SST flux rating and depth suggests some optimization of the volume of the SST, this be avoided and (ii) the depth of the SST be designed independently of the surface area as is usually the practice and once selected, the

  12. Validation of the emission inventory in the Sao Paulo Metropolitan Area of Brazil, based on ambient concentrations ratios of CO, NMOG and NO x and on a photochemical model

    NASA Astrophysics Data System (ADS)

    Vivanco, Marta G.; Andrade, Maria de Fátima

    In recent years, photochemical air pollution has become a significant problem in the São Paulo Metropolitan Area (SPMA). For some air pollutants, especially ozone and particulate matter, concentrations in excess of national air quality standards have been registered. According to data published by the State Environmental Agency (CETESB), approximately 90% of ozone precursors are emitted into the atmosphere by the vehicle fleet [CETESB, 2000. Relatório de Qualidade do ar do Estado de Sao Paulo, 1999; CETESB, 2002. Relatório de Qualidade do ar do Estado de Sao Paulo, 2004]. The estimation of precursor emissions speciation is a rather complex task. Estimating spatial and temporal variation of vehicle emissions is the greatest source of uncertainty. As in other locales, data regarding motor vehicle emissions are scarce. Due to the considerable discrepancies in emission inventories reported in various regions of the world, we evaluated the official emission inventories of non-methane organic gas (NMOG) and nitrogen oxides (NO x) using an observation-based approach. Ratios of NO x/carbon monoxide (CO) and NMOG/CO were calculated from ambient measurements taken in the early morning (0700-0800) during July and August of 1999. This top-down approach assumes that early morning ambient concentrations of CO, NO x and NMOG are dominated by motor vehicle emissions, and that the photochemical process has not substantially affected the concentrations. Based on these ratios and on the assumption that official inventory of CO emissions is reasonably accurate, on-road motor vehicle emissions of NO x seem to be significantly overestimated and NMOG emissions slightly underestimated. An Eulerian photochemical model, using both the revised motor vehicle emission inventory and the original official emissions provided by CETESB, was applied to an episodic air pollution event in the SPMA (9-12 August 1999). Meteorology fields were obtained from the CALMET model. When the revised, rather

  13. Interaction of environmental contaminants with zebrafish organic anion transporting polypeptide, Oatp1d1 (Slco1d1)

    SciTech Connect

    Popovic, Marta; Zaja, Roko; Fent, Karl; Smital, Tvrtko

    2014-10-01

    Polyspecific transporters from the organic anion transporting polypeptide (OATP/Oatp) superfamily mediate the uptake of a wide range of compounds. In zebrafish, Oatp1d1 transports conjugated steroid hormones and cortisol. It is predominantly expressed in the liver, brain and testes. In this study we have characterized the transport of xenobiotics by the zebrafish Oatp1d1 transporter. We developed a novel assay for assessing Oatp1d1 interactors using the fluorescent probe Lucifer yellow and transient transfection in HEK293 cells. Our data showed that numerous environmental contaminants interact with zebrafish Oatp1d1. Oatp1d1 mediated the transport of diclofenac with very high affinity, followed by high affinity towards perfluorooctanesulfonic acid (PFOS), nonylphenol, gemfibrozil and 17α-ethinylestradiol; moderate affinity towards carbaryl, diazinon and caffeine; and low affinity towards metolachlor. Importantly, many environmental chemicals acted as strong inhibitors of Oatp1d1. A strong inhibition of Oatp1d1 transport activity was found by perfluorooctanoic acid (PFOA), chlorpyrifos-methyl, estrone (E1) and 17β-estradiol (E2), followed by moderate to low inhibition by diethyl phthalate, bisphenol A, 7-acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4 tetrahydronapthalene and clofibrate. In this study we identified Oatp1d1 as a first Solute Carrier (SLC) transporter involved in the transport of a wide range of xenobiotics in fish. Considering that Oatps in zebrafish have not been characterized before, our work on zebrafish Oatp1d1 offers important new insights on the understanding of uptake processes of environmental contaminants, and contributes to the better characterization of zebrafish as a model species. - Highlights: • We optimized a novel assay for determination of Oatp1d1 interactors • Oatp1d1 is the first SLC characterized fish xenobiotic transporter • PFOS, nonylphenol, diclofenac, EE2, caffeine are high affinity Oatp1d1substrates • PFOA, chlorpyrifos

  14. The carbon-bond mechanism: a condensed kinetic mechanism for photochemical smog

    SciTech Connect

    Whitten, G.Z.; Hog, H.; Killus, J.P.

    1980-06-01

    Efforts to develop a model that can simulate photochemical smog with kinetic mechanisms are discussed. The carbon-bond mechanism is a set of generalized reactions that can be used to model photochemical oxidant formation. The theoretical framework of carbon-bond mechanism is outlined. Chemical variables that are incorporated into the carbon-bond mechanism model are described. Further work that is needed on the carbon-bond mechanism model is considered. (1 diagram, 13 graphs, 30 references, 2 tables)

  15. Photochemical air pollution. Part I

    SciTech Connect

    Goldstein E.; Hackney, J.D.; Rokaw, S.N.

    1985-03-01

    In this paper, epidemiologic studies are reported which indicate that high photochemical oxidant exposures: do not cause mortality or serious illness; may increase the risk of asthmatic attacks in a small percentage of asthmatic patients; appear to reduce pulmonary function in smokers and nonsmokers after long-term exposure; cause acute discomfort of eye and throat, chest irritation and cough; and interfere with athletic performance. Exposure to high ambient levels of NO/sub 2/ is not associated with mortality, serious disease or respiratory dysfunction, but self-limiting symptoms of respiratory irritation or illness may develop in children. 106 references, 2 figures, 1 table.

  16. Creating and coupling a high-resolution DTM with a 1-D hydraulic model in a GIS for scenario-based assessment of avulsion hazard in a gravel-bed river

    NASA Astrophysics Data System (ADS)

    Aggett, G. R.; Wilson, J. P.

    2009-12-01

    In this paper we explore the development and assimilation of a high resolution topographic surface with a one-dimensional hydraulic model for investigation of avulsion hazard potential on a gravel-bed river. A detailed channel and floodplain digital terrain model (DTM) is created to define the geometry parameter required by the 1D hydraulic model HEC-RAS. The ability to extract dense and optimally located cross-sections is presented as a means to optimize HEC-RAS performance. A number of flood scenarios are then run in HEC-RAS to determine the inundation potential of modeled events, the post-processed output of which facilitates calculation of spatially explicit shear stress ( τ) and level of geomorphic work (specific stream power per unit bed area, ω) for each of these. Further enhancing this scenario-based approach, the DTM is modified to simulate a large woody debris (LWD) jam and active-channel sediment aggradation to assess impact on innundation, τ, and ω, under previously modeled flow conditions. The high resolution DTM facilitates overlay and evaluation of modeled scenario results in a spatially explicit context containing considerable detail of hydrogeomorphic and other features influencing hydraulics (bars, secondary and scour channels, levees). This offers advantages for: (i) assessing the avulsion hazard potential and spatial distribution of other hydrologic and fluvial geomorphic processes; and (ii) exploration of the potential impacts of specific management strategies on the channel, including river restoration activities.

  17. Ocean Color Based Estimates of Global Photochemical Rate Processes

    NASA Astrophysics Data System (ADS)

    Nelson, N. B.; Siegel, D. A.; Toole, D. A.

    2005-12-01

    The development and validation of new ocean color data products beyond chlorophyll allows for the assessment of biogeochemically relevant rate processes other than primary production, such as CO production and DMS photolysis. We present here a proof-of-concept study in which we integrate multiple global remote sensing data streams to estimate the solar irradiance absorbed by chromophoric dissolved organic matter (CDOM) in the euphotic zone. This quantity can be convolved with apparent quantum yield spectra to estimate photochemical reaction rates. In this study we use ocean color reflectance spectra from SeaWiFS and/or MODIS to estimate in-water light absorption and backscattering spectra using the Garver-Siegel-Maritorena ocean color model. These quantities were used to empirically estimate the diffuse attenuation coefficient spectrum (Kd) for surface waters, and thus depth profiles of light penetration. UV Irradiance spectra at the surface were estimated using TOMS data. We also estimated the scalar to vector irradiance ratio using information from radiative transfer modeling in conjunction with absorption and backscattering coefficient spectra. These quantities were combined to estimate the spectrum of light absorption by CDOM, or photochemically active radiation. Finally, we combined the photochemically active radiation spectra with open ocean estimates of apparent quantum yield to produce maps of photochemical production of CO. Global maps of time integrated production rates closely resemble similar maps of CDOM distribution, indicating a proximal control of photochemistry by CDOM.

  18. Developing Sediment Transport and Dredging Prediction Model of Ohio River at Olmsted Locks and Dams Area using HEC-RAS (1D/2D)By Ganesh Raj Ghimire1 and Bruce A. Devantier 2

    NASA Astrophysics Data System (ADS)

    Ghimire, G. R.

    2015-12-01

    Sediment deposition is a serious issue in the construction and operation of large reservoir and inland navigation projects in the United States and around the world. Olmsted Locks and Dams in the Ohio River navigation system is facing similar challenges of huge sediment deposition during the ongoing in-wet construction methodology since 1993. HEC-RAS 5.0 integrated with ArcGIS, will be used to yield unsteady 2D hydrodynamic model of Ohio River at Olmsted area. Velocity, suspended sediment, bed sediment and hydrographic survey data acquired from public archives of USGS and USACE Louisville District will be input into the model. Calibration and validation of model will be performed against the measured stage, flow and velocity data. It will be subjected to completely unsteady 1D sediment transport modeling new to HEC-RAS 5.0 which incorporates sediment load and bed gradation via a DSS file, commercial dredging and BSTEM model. Sediment model will be calibrated to replicate the historical bed volume changes. Excavated cross-sections at Olmsted area will also be used to predict the sediment volume trapped inside the ditch over the period between excavations and placement of dam shells at site. Model will attempt to replicate historical dredging volume data and compare with the deposition volume from simulation model to formulate the dredging prediction model. Hence, the results of this research will generate a model that can form a basis for scheduling the dredging event prior to the placement of off-shore cast shells replacing the current as and when required approach of dredging plan. 1 Graduate Student, Department of Civil Engineering, Southern Illinois University Carbondale Carbondale, Illinois, 62901-6603 2 Professor, Department of Civil Engineering, Southern Illinois University Carbondale Carbondale, Illinois, 62901-6603

  19. Multidimensional Electronic Spectroscopy of Photochemical Reactions.

    PubMed

    Nuernberger, Patrick; Ruetzel, Stefan; Brixner, Tobias

    2015-09-21

    Coherent multidimensional electronic spectroscopy can be employed to unravel various channels in molecular chemical reactions. This approach is thus not limited to analysis of energy transfer or charge transfer (i.e. processes from photophysics), but can also be employed in situations where the investigated system undergoes permanent structural changes (i.e. in photochemistry). Photochemical model reactions are discussed by using the example of merocyanine/spiropyran-based molecular switches, which show a rich variety of reaction channels, in particular ring opening and ring closing, cis-trans isomerization, coherent vibrational wave-packet motion, radical ion formation, and population relaxation. Using pump-probe, pump-repump-probe, coherent two-dimensional and three-dimensional, triggered-exchange 2D, and quantum-control spectroscopy, we gain intuitive pictures on which product emerges from which reactant and which reactive molecular modes are associated. PMID:26382095

  20. The photochemical role of tropospheric nitrogen oxides

    NASA Technical Reports Server (NTRS)

    Chameides, W. L.

    1978-01-01

    The role of nitrogen oxides in the tropospheric photochemical system is re-evaluated in the light of recent measurements of the rate constants for two key reactions. A model for nitrogen oxides is discussed which yields surface NO(x) (NO+NO2) levels approaching 1 ppb in NO(x) source regions but less than 0.1 ppb outside source regions. Applying the new rate coefficients implies increased radical concentrations and a more intense O3 and CO photochemistry. Even for densities of 0.1 ppb or less, NO(x) still leads to significant local O3 production and conversion of HO2 to OH. Unrealistic O3 profiles are obtained with the new rate coefficients for surface NO(x) densities of about 1 ppb, while reasonable agreement with observation is obtained with lower NO(x) densities. Feedback processes between CO, NO(x), OH, and CH4 are also discussed.

  1. Photochemical processing of aqueous atmospheric brown carbon

    NASA Astrophysics Data System (ADS)

    Zhao, R.; Lee, A. K. Y.; Huang, L.; Li, X.; Yang, F.; Abbatt, J. P. D.

    2015-06-01

    Atmospheric brown carbon (BrC) is a collective term for light absorbing organic compounds in the atmosphere. While the identification of BrC and its formation mechanisms is currently a central effort in the community, little is known about the atmospheric removal processes of aerosol BrC. As a result, we report on a series of laboratory studies of photochemical processing of BrC in the aqueous phase, by direct photolysis and OH oxidation. Solutions of ammonium sulfate mixed with glyoxal (GLYAS) or methylglyoxal (MGAS) are used as surrogates for a class of secondary BrC mediated by imine intermediates. Three nitrophenol species, namely 4-nitrophenol, 5-nitroguaiacol and 4-nitrocatechol, were investigated as a class of water-soluble BrC originating from biomass burning. Photochemical processing induced significant changes in the absorptive properties of BrC. The imine-mediated BrC solutions exhibited rapid photo-bleaching with both direct photolysis and OH oxidation, with atmospheric half-lives of minutes to a few hours. The nitrophenol species exhibited photo-enhancement in the visible range during direct photolysis and the onset of OH oxidation, but rapid photo-bleaching was induced by further OH exposure on an atmospheric timescale of an hour or less. To illustrate the atmospheric relevance of this work, we also performed direct photolysis experiments on water-soluble organic carbon extracted from biofuel combustion samples and observed rapid changes in the optical properties of these samples as well. Overall, these experiments indicate that atmospheric models need to incorporate representations of atmospheric processing of BrC species to accurately model their radiative impacts.

  2. Photochemical processing of aqueous atmospheric brown carbon

    NASA Astrophysics Data System (ADS)

    Zhao, R.; Lee, A. K. Y.; Huang, L.; Li, X.; Yang, F.; Abbatt, J. P. D.

    2015-01-01

    Atmospheric Brown Carbon (BrC) is a collective term for light absorbing organic compounds in the atmosphere. While the identification of BrC and its formation mechanisms is currently a central effort in the community, little is known about the atmospheric removal processes of aerosol BrC. As a result, we report a series of laboratory studies of photochemical processing of BrC in the aqueous phase, by direct photolysis and OH oxidation. Solutions of ammonium sulfate mixed with glyoxal (GLYAS) or methylglyoxal (MGAS) are used as surrogates for a class of secondary BrC mediated by imine intermediates. Three nitrophenol species, namely 4-nitrophenol, 5-nitroguaiacol and 4-nitrocatechol, were investigated as a class of water soluble BrC originating from biomass burning. Photochemical processing induced significant changes in the absorptive properties of BrC. The imine-mediated BrC solutions exhibited rapid photo-bleaching with both direct photolysis and OH oxidation, with atmospheric half-lives of minutes to a few hours. The nitrophenol species exhibited photo-enhancement in the visible range during direct photolysis and the onset of OH oxidation, but rapid photo-bleaching was induced by further OH exposure on an atmospheric timescale of an hour or less. To illustrate atmospheric relevance of this work, we also performed direct photolysis experiments on water soluble organic carbon extracted from biofuel combustion samples and observed rapid changes in optical properties of these samples as well. Overall, these experiments indicate that atmospheric models need to incorporate representations of atmospheric processing of BrC species to accurately model their radiative impacts.

  3. Outstanding Phenotypic Differences in the Profile of Amyloid-β between Tg2576 and APPswe/PS1dE9 Transgenic Mouse Models of Alzheimer’s Disease

    PubMed Central

    Allué, José Antonio; Sarasa, Leticia; Izco, María; Pérez-Grijalba, Virginia; Fandos, Noelia; Pascual-Lucas, María; Ogueta, Samuel; Pesini, Pedro; Sarasa, Manuel

    2016-01-01

    APPswe/PS1dE9 and Tg2576 are very common transgenic mouse models of Alzheimer’s disease (AD), used in many laboratories as tools to research the mechanistic process leading to the disease. In order to augment our knowledge about the amyloid-β (Aβ) isoforms present in both transgenic mouse models, we have developed two chromatographic methods, one acidic and the other basic, for the characterization of the Aβ species produced in the brains of the two transgenic mouse models. After immunoprecipitation and micro-liquid chromatography-electrospray ionization mass spectrometry/mass spectrometry, 10 species of Aβ, surprisingly all of human origin, were detected in the brain of Tg2576 mouse, whereas 39 species, of both murine and human origin, were detected in the brain of the APP/PS1 mouse. To the best of our knowledge, this is the first study showing the identification of such a high number of Aβ species in the brain of the APP/PS1 transgenic mouse, whereas, in contrast, a much lower number of Aβ species were identified in the Tg2576 mouse. Therefore, this study brings to light a relevant phenotypic difference between these two popular mice models of AD. PMID:27258422

  4. 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

    2016-01-01

    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

  5. 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.

  6. 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

  7. 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.

  8. Inhalation of Photochemically Altered Urban Mixtures Depresses Cardiac Function in Mice

    EPA Science Inventory

    Rationale: Epidemiological studies have indicated an association between urban air pollution exposure and cardiovascular morbidity and mortality. The present study was designed to evaluate the cardiac effects of inhaled photochemical products in urban mixtures in a murine model. ...

  9. Photochemical Aging of Organic Aerosol Particles

    NASA Astrophysics Data System (ADS)

    Nizkorodov, S. A.; Bateman, A. P.; Dailo, M.; Do, T.; Mang, S. A.; Pan, X.; Underwood, J. S.; Walser, M. L.

    2007-05-01

    Secondary Organic Aerosol (SOA) particles are produced in the atmosphere as a result of oxidation of volatile organic compounds (VOC). Primary Organic Aerosol (POA) particles are directly emitted in the atmosphere by their sources. This research focuses on the mechanisms of direct photochemical processes taking place in model SOA and POA particles, the role of such processes in aging of organic aerosol particles, and the effect of photochemistry on particles' physicochemical properties. To address these questions, artificial SOA and POA particles are investigated with several laboratory-based approaches relying on cavity ring-down spectroscopy and mass-spectrometry. SOA particles generated by dark oxidation of d-Limonene, alpha-Pinene, and beta-Pinene by ozone are all found to absorb radiation in the tropospheric actinic window. The UV absorption photolyzes SOA constituents resulting in a release of small VOC molecules back in the gas-phase, and considerable change in SOA chemical composition. For terpenes featuring a terminal double bond, the main SOA photolysis products are invariably found to be formaldehyde and formic acid. Similar observations are obtained for products of ozonolysis of thin films of unsaturated fatty acids and self-assembled monolayers of unsaturated alkenes. For the case of fatty acids, a very detailed mechanism of ozonolysis and subsequent photolysis is proposed. The photolytic activity is primarily attributed to organic peroxides and aldehydes. These results convincingly demonstrate that photochemical processes occurring inside SOA and POA particles age the particles on time scales that are shorter than typical lifetimes of aerosol particles in the atmosphere.

  10. Engineering photochemical smog through convection towers

    SciTech Connect

    Elliott, S.; Prueitt, M.L.; Bossert, J.E.; Mroz, E.J.; Krakowski, R.A.; Miller, R.L.; Jacobson, M.Z.; Turco, R.P. |

    1995-02-01

    Reverse convection towers have attracted attention as a medium for cleansing modern cities. Evaporation of an aqueous mist injected at the tower opening could generate electrical power by creating descent, and simultaneously scavenge unsightly and unhealthful particulates. The study offered here assesses the influence to tower water droplets on the photochemical component of Los Angeles type smog. The primary radical chain initiator OH is likely removed into aqueous phases well within the residence time of air in the tower, and then reacts away rapidly. Organics do not dissolve, but nighttime hydrolysis of N{sub 2}O{sub 5} depletes the nitrogen oxides. A lack of HOx would slow hydrocarbon oxidation and so also ozone production. Lowering of NOx would also alter ozone production rates, but the direction is uncertain. SO{sub 2} is available in sufficient quantities in some urban areas to react with stable oxidants, and if seawater were the source of the mist, the high pH would lead to fast sulfur oxidation kinetics. With an accommodation coefficient of 10{sup {minus}3}, however, ozone may not enter the aqueous phase efficiently. Even if ozone is destroyed or its production suppressed, photochemical recovery times are on the order of hours, so that tower processing must be centered on a narrow midday time window. The cost of building the number of structures necessary for this brief turnover could be prohibitive. The increase in humidity accompanying mist evaporation could be controlled with condensers, but might otherwise counteract visibility enhancements by recreating aqueous aerosols. Quantification of the divergent forcings convection towers must exert upon the cityscape would call for coupled three dimensional modeling of transport, microphysics, and photochemistry. 112 refs.

  11. Photochemical control of the distribution of Venusian water

    NASA Astrophysics Data System (ADS)

    Parkinson, Christopher D.; Gao, Peter; Esposito, Larry; Yung, Yuk; Bougher, Stephen; Hirtzig, Mathieu

    2015-08-01

    We use the JPL/Caltech 1-D photochemical model to solve continuity diffusion equation for atmospheric constituent abundances and total number density as a function of radial distance from the planet Venus. Photochemistry of the Venus atmosphere from 58 to 112 km is modeled using an updated and expanded chemical scheme (Zhang et al., 2010, 2012), guided by the results of recent observations and we mainly follow these references in our choice of boundary conditions for 40 species. We model water between 10 and 35 ppm at our 58 km lower boundary using an SO2 mixing ratio of 25 ppm as our nominal reference value. We then vary the SO2 mixing ratio at the lower boundary between 5 and 75 ppm holding water mixing ratio of 18 ppm at the lower boundary and finding that it can control the water distribution at higher altitudes. SO2 and H2O can regulate each other via formation of H2SO4. In regions of high mixing ratios of SO2 there exists a "runaway effect" such that SO2 gets oxidized to SO3, which quickly soaks up H2O causing a major depletion of water between 70 and 100 km. Eddy diffusion sensitivity studies performed characterizing variability due to mixing that show less of an effect than varying the lower boundary mixing ratio value. However, calculations using our nominal eddy diffusion profile multiplied and divided by a factor of four can give an order of magnitude maximum difference in the SO2 mixing ratio and a factor of a few difference in the H2O mixing ratio when compared with the respective nominal mixing ratio for these two species. In addition to explaining some of the observed variability in SO2 and H2O on Venus, our work also sheds light on the observations of dark and bright contrasts at the Venus cloud tops observed in an ultraviolet spectrum. Our calculations produce results in agreement with the SOIR Venus Express results of 1 ppm at 70-90 km (Bertaux et al., 2007) by using an SO2 mixing ratio of 25 ppm SO2 and 18 ppm water as our nominal reference

  12. Tropospheric Ozone and Photochemical Smog

    NASA Astrophysics Data System (ADS)

    Sillman, S.

    2003-12-01

    The question of air quality in polluted regions represents one of the issues of geochemistry with direct implications for human well-being. Human health and well-being, along with the well-being of plants, animals, and agricultural crops, are dependent on the quality of air we breathe. Since the start of the industrial era, air quality has become a matter of major importance, especially in large cities or urbanized regions with heavy automobile traffic and industrial activity.Concern over air quality existed as far back as the 1600s. Originally, polluted air in cities resulted from the burning of wood or coal, largely as a source of heat. The industrial revolution in England saw a great increase in the use of coal in rapidly growing cities, both for industrial use and domestic heating. London suffered from devastating pollution events during the late 1800s and early 1900s, with thousands of excess deaths attributed to air pollution (Brimblecombe, 1987). With increasing use of coal, other instances also occurred in continental Europe and the USA. These events were caused by directly emitted pollutants (primary pollutants), including sulfur dioxide (SO2), carbon monoxide (CO), and particulates. They were especially acute in cities with northerly locations during fall and winter when sunlight is at a minimum. These original pollution events gave rise to the term "smog" (a combination of smoke and fog). Events of this type have become much less severe since the 1950s in Western Europe and the US, as natural gas replaced coal as the primary source of home heating, industrial smokestacks were designed to emit at higher altitudes (where dispersion is more rapid), and industries were required to install pollution control equipment.Beginning in the 1950s, a new type of pollution, photochemical smog, became a major concern. Photochemical smog consists of ozone (O3) and other closely related species ("secondary pollutants") that are produced photochemically from directly

  13. The structural basis of non-photochemical quenching is revealed?

    PubMed

    Cogdell, Richard J

    2006-02-01

    Light-harvesting complex II (LHCII, the major plant light-harvesting pigment-protein complex, efficiently harvests light-energy. However, if the incident light intensity is too high and photosynthesis becomes saturated, LHCII can switch into a quenching state that prevents photodamage. This important process is called non-photochemical quenching, or NPQ, and represents feedback control. Andrew Pascal et al. have recently proposed a detailed model of NPQ based upon the crystal structure of LHCII from spinach.

  14. Photochemical cleavage of leader peptides†‡

    PubMed Central

    Bindman, Noah; Merkx, Remco; Koehler, Robert; Herrman, Nicholas; van der Donk, Wilfred A.

    2011-01-01

    We report a photolabile linker compatible with Fmoc solid phase peptide synthesis and Cu(I)-catalyzed alkyne–azide cycloaddition that allows photochemical cleavage to afford a C-terminal peptide fragment with a native amino terminus. PMID:21046030

  15. Photochemical conversion of solar energy.

    PubMed

    Balzani, Vincenzo; Credi, Alberto; Venturi, Margherita

    2008-01-01

    Energy is the most important issue of the 21st century. About 85% of our energy comes from fossil fuels, a finite resource unevenly distributed beneath the Earth's surface. Reserves of fossil fuels are progressively decreasing, and their continued use produces harmful effects such as pollution that threatens human health and greenhouse gases associated with global warming. Prompt global action to solve the energy crisis is therefore needed. To pursue such an action, we are urged to save energy and to use energy in more efficient ways, but we are also forced to find alternative energy sources, the most convenient of which is solar energy for several reasons. The sun continuously provides the Earth with a huge amount of energy, fairly distributed all over the world. Its enormous potential as a clean, abundant, and economical energy source, however, cannot be exploited unless it is converted into useful forms of energy. This Review starts with a brief description of the mechanism at the basis of the natural photosynthesis and, then, reports the results obtained so far in the field of photochemical conversion of solar energy. The "grand challenge" for chemists is to find a convenient means for artificial conversion of solar energy into fuels. If chemists succeed to create an artificial photosynthetic process, "... life and civilization will continue as long as the sun shines!", as the Italian scientist Giacomo Ciamician forecast almost one hundred years ago.

  16. Photochemical reduction of uranyl nitrate

    SciTech Connect

    Duerksen, W.K.

    1993-10-20

    The photochemical reduction of uranyl nitrate solutions to tetravalent uranium was investigated as a means of producing uranium dioxide feed for the saltless direct oxide reduction (SDOR) process. At high uranium concentrations, reoxidation of U{sup +4} occurs rapidly. The kinetics of the nitric oxidation of tetravalent uranium depend on the concentrations of hydrogen ion, nitrate ion, nitrous acid, and tetravalent uranium in the same manner as was reported elsewhere for the nitrate oxidation of PU{sup +3}. Reaction rate data were successfully correlated with a mechanism in which nitrogen dioxide is the reactive intermediate. Addition of a nitrous acid scavenger suppresses the reoxidation reaction. An immersion reactor employing a mercury vapor lamp gave reduction times fast enough for routine production usage. Precipitation techniques for conversion of aqueous U(NO{sub 3}){sub 4} to hydrous UO{sub 2} were evaluated. Prolonged dewatering times tended to make the process time consuming. Use of 3- to 4-M aqueous NaOH gave the best dewatering times observed. Reoxidation of the UO{sub 2} by water of hydration was encountered, which required the drying process to be carried out under a reducing atmosphere.

  17. The formation and inhibition of photochemical smog.

    PubMed

    Heicklen, J

    1987-01-01

    Photochemical smog is caused by a free-radical chain mechanism which converts NO to NO2. The NO2 further reacts to produce ozone, nitric acid, and peracylnitrates. This chain mechanism can be inhibited by suitable free-radical scavengers. The chemistry and toxicology of one such free-radical scavenger, diethylhydroxylamine, has been studied in depth. It has been shown to be effective, safe, and practical for use in urban atmospheres to prevent photochemical smog formation.

  18. Explicit photochemical mechanism for atmospheric oxidation of n-butane

    SciTech Connect

    Wen, L.

    1992-01-01

    Alkanes, being an important component of atmosphere, serve as precursors to ozone formation in urban and rural air masses. An explicit photochemical oxidation mechanism for n-butane, which is the major hydrocarbon component of automobile exhaust, is created in this work. The yields of organic nitrates from n-butane, n-pentane, and methyl ethyl ketone photooxidations were studied in Teflon bag and smog chamber experiments. Comparing with the expression currently using the most atmospheric model studies, the total butyl nitrates yield obtained in this work is about 36% lower, and the ratio of primary to secondary butyl nitrates is slightly higher. It is shown in this work that the yields of hydroxyl and carbonyl butyl nitrates are very low, and can be ignored in the explicit photochemical mechanisms. The explicit photochemical oxidation mechanism for methyl ethyl ketone (MEK) was created first because it is the major product from photooxidation of n-butane. The explicit photochemical oxidation mechanism for n-butane, created later, draws on the MEK mechanism. The mechanisms were tested by comparing model predictions with experimental observations from smog chamber experiments. The comparisons were conducted for species which had experimental observation data, such as O[sub 3], NO, and NO[sub 2], n-butane, MEK, organic nitrates, and aldehydes species. The sixteen smog chamber experiments, used in model simulations, were conducted during 1978 to 1992. The mechanisms are mainly based on the available kinetic data in literature and the experimental result in this work. The rate constants for some reactions in the mechanisms were adjusted to make a better fit with the experimental observations. These reactions were: reaction of OH and n-butane to form secondary butyl peroxy radical, decomposition of secondary butoxy radical, and reaction of OH and MEK.

  19. PC-1D installation manual and user's guide

    SciTech Connect

    Basore, P.A.

    1991-05-01

    PC-1D is a software package for personal computers that uses finite-element analysis to solve the fully-coupled two-carrier semiconductor transport equations in one dimension. This program is particularly useful for analyzing the performance of optoelectronic devices such as solar cells, but can be applied to any bipolar device whose carrier flows are primarily one-dimensional. This User's Guide provides the information necessary to install PC-1D, define a problem for solution, solve the problem, and examine the results. Example problems are presented which illustrate these steps. The physical models and numerical methods utilized are presented in detail. This document supports version 3.1 of PC-1D, which incorporates faster numerical algorithms with better convergence properties than previous versions of the program. 51 refs., 17 figs., 5 tabs.

  20. Special lipid-based diets alleviate cognitive deficits in the APPswe/PS1dE9 transgenic mouse model of Alzheimer's disease independent of brain amyloid deposition.

    PubMed

    Koivisto, Hennariikka; Grimm, Marcus O; Rothhaar, Tatjana L; Berkecz, Róbert; Lütjohann D, Dieter; Giniatullina, Rajsa; Takalo, Mari; Miettinen, Pasi O; Lahtinen, Hanna-Maija; Giniatullin, Rashid; Penke, Botond; Janáky, Tamás; Broersen, Laus M; Hartmann, Tobias; Tanila, Heikki

    2014-02-01

    Dietary fish oil, providing n3 polyunsaturated fatty acids like eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA), associates with reduced dementia risk in epidemiological studies and reduced amyloid accumulation in Alzheimer mouse models. We now studied whether additional nutrients can improve the efficacy of fish oil in alleviating cognitive deficits and amyloid pathology in APPswe/PS1dE9 transgenic and wild-type mice. We compared four isocaloric (5% fat) diets. The fish oil diet differed from the control diet only by substituted fish oil. Besides fish oil, the plant sterol diet was supplemented with phytosterols, while the Fortasyn diet contained as supplements precursors and cofactors for membrane synthesis, viz. uridine-monophosphate; DHA and EPA; choline; folate; vitamins B6, B12, C and E; phospholipids and selenium. Mice began the special diets at 5 months and were sacrificed at 14 months after behavioral testing. Transgenic mice, fed with control chow, showed poor spatial learning, hyperactivity in exploring a novel cage and reduced preference to explore novel odors. All fish-oil-containing diets increased exploration of a novel odor over a familiar one. Only the Fortasyn diet alleviated the spatial learning deficit. None of the diets influenced hyperactivity in a new environment. Fish-oil-containing diets strongly inhibited β- and γ-secretase activity, and the plant sterol diet additionally reduced amyloid-β 1-42 levels. These data indicate that beneficial effects of fish oil on cognition in Alzheimer model mice can be enhanced by adding other specific nutrients, but this effect is not necessarily mediated via reduction of amyloid accumulation. PMID:24445040

  1. Upstream Design and 1D-CAE

    NASA Astrophysics Data System (ADS)

    Sawada, Hiroyuki

    Recently, engineering design environment of Japan is changing variously. Manufacturing companies are being challenged to design and bring out products that meet the diverse demands of customers and are competitive against those produced by rising countries(1). In order to keep and strengthen the competitiveness of Japanese companies, it is necessary to create new added values as well as conventional ones. It is well known that design at the early stages has a great influence on the final design solution. Therefore, design support tools for the upstream design is necessary for creating new added values. We have established a research society for 1D-CAE (1 Dimensional Computer Aided Engineering)(2), which is a general term for idea, methodology and tools applicable for the upstream design support, and discuss the concept and definition of 1D-CAE. This paper reports our discussion about 1D-CAE.

  2. Contributions of biogenic and anthropogenic hydrocarbons to photochemical smog formation

    SciTech Connect

    Paulson, S.E.

    1991-01-01

    Photochemical oxidation of biogenic (Isoprene) and anthropogenic (1-octene) hydrocarbons are examined. Experiments studied the individual daylight reactions of both isoprene and 1-octene, including those of OH, O{sub 3}, O({sup 3}P), and NO{sub 2}. The O{sub 3} reactions are found to produce significant quantities of OH, O({sup 3}P), and carbonyl yields that total about 100%. Isomerization is found to be an important channel for both isoprene and 1-octene. O({sup 3}P) reactions are found to have relatively minor decomposition pathways, resulting instead in epoxide formation. Results from both the smog chamber experiments and computer kinetic modeling were then used to develop photochemical oxidation mechanisms for each hydrocarbon. Aerosol formed by isoprene and another biogenic, {beta}-pinene, are characterized.

  3. Photochemical oxidants: state of the science.

    PubMed

    Kley, D; Kleinmann, M; Sanderman, H; Krupa, S

    1999-01-01

    Atmospheric photochemical processes resulting in the production of tropospheric ozone (O(3)) and other oxidants are described. The spatial and temporal variabilities in the occurrence of surface level oxidants and their relationships to air pollution meteorology are discussed. Models of photooxidant formation are reviewed in the context of control strategies and comparisons are provided of the air concentrations of O(3) at select geographic locations around the world. This overall oxidant (O(3)) climatology is coupled to human health and ecological effects. The discussion of the effects includes both acute and chronic responses, mechanisms of action, human epidemiological and plant population studies and briefly, efforts to establish cause-effect relationships through numerical modeling. A short synopsis is provided of the interactive effects of O(3) with other abiotic and biotic factors. The overall emphasis of the paper is on identifying the current uncertainties and gaps in our understanding of the state of the science and some suggestions as to how they may be addressed.

  4. Remotely Sensing the Photochemical Reflectance Index (PRI)

    NASA Technical Reports Server (NTRS)

    Vanderbilt, Vern

    2015-01-01

    In remote sensing, the Photochemical Reflectance Index (PRI) provides insight into physiological processes occurring inside the leaves in a stand of plants. Developed by Gamon et al., (1990 and 1992), PRI evolved from laboratory measurements of the reflectance of individual leaves (Bilger et al.,1989). Yet in a remotely sensed image, a pixel measurement may include light from both reflecting and transmitting leaves. We conducted laboratory experiments comparing values of PRI based upon polarized reflectance and transmittance measurements of water and nutrient stressed leaves. We illuminated single detached leaves using a current controlled light source (Oriel model 66881) and measured the leaf weight using an analytical balance (Mettler model AE 260) and the light reflected and transmitted by the leaf during dry down using two Analytical Spectral Devices spectroradiometers. Polarizers on the incident and reflected light beams allowed us to divide the leaf reflectance into two parts: a polarized surface reflectance and a non-polarized 'leaf interior' reflectance. Our results underscore the importance when calculating PRI of removing the leaf surface reflection, which contains no information about physiological processes ongoing in the leaf interior. The results show that the leaf physiology information is in the leaf interior reflectance, not the leaf transmittance. Applied to a plant stand, these results suggest use of polarization measurements in sun-view directions that minimize the number of sunlit transmitting leaves in the sensor field of view.

  5. Photochemical oxidants: state of the science.

    PubMed

    Kley, D; Kleinmann, M; Sanderman, H; Krupa, S

    1999-01-01

    Atmospheric photochemical processes resulting in the production of tropospheric ozone (O(3)) and other oxidants are described. The spatial and temporal variabilities in the occurrence of surface level oxidants and their relationships to air pollution meteorology are discussed. Models of photooxidant formation are reviewed in the context of control strategies and comparisons are provided of the air concentrations of O(3) at select geographic locations around the world. This overall oxidant (O(3)) climatology is coupled to human health and ecological effects. The discussion of the effects includes both acute and chronic responses, mechanisms of action, human epidemiological and plant population studies and briefly, efforts to establish cause-effect relationships through numerical modeling. A short synopsis is provided of the interactive effects of O(3) with other abiotic and biotic factors. The overall emphasis of the paper is on identifying the current uncertainties and gaps in our understanding of the state of the science and some suggestions as to how they may be addressed. PMID:15093111

  6. Numerical simulations of heavily polluted fine-grained sediment remobilization using 1D, 1D+, and 2D channel schematization.

    PubMed

    Kaiglová, Jana; Langhammer, Jakub; Jiřinec, Petr; Janský, Bohumír; Chalupová, Dagmar

    2015-03-01

    This article used various hydrodynamic and sediment transport models to analyze the potential and the limits of different channel schematizations. The main aim was to select and evaluate the most suitable simulation method for fine-grained sediment remobilization assessment. Three types of channel schematization were selected to study the flow potential for remobilizing fine-grained sediment in artificially modified channels. Schematization with a 1D cross-sectional horizontal plan, a 1D+ approach, splitting the riverbed into different functional zones, and full 2D mesh, adopted in MIKE by the DHI modeling suite, was applied to the study. For the case study, a 55-km stretch of the Bílina River, in the Czech Republic, Central Europe, which has been heavily polluted by the chemical and coal mining industry since the mid-twentieth century, was selected. Long-term exposure to direct emissions of toxic pollutants including heavy metals and persistent organic pollutants (POPs) resulted in deposits of pollutants in fine-grained sediments in the riverbed. Simulations, based on three hydrodynamic model schematizations, proved that for events not exceeding the extent of the riverbed profile, the 1D schematization can provide comparable results to a 2D model. The 1D+ schematization can improve accuracy while keeping the benefits of high-speed simulation and low requirements of input DEM data, but the method's suitability is limited by the channel properties. PMID:25687259

  7. DESIGN PACKAGE 1D SYSTEM SAFETY ANALYSIS

    SciTech Connect

    L.R. Eisler

    1995-02-02

    The purpose of this analysis is to systematically identify and evaluate hazards related to the Yucca Mountain Project Exploratory Studies Facility (ESF) Design Package 1D, Surface Facilities, (for a list of design items included in the package 1D system safety analysis see section 3). This process is an integral part of the systems engineering process; whereby safety is considered during planning, design, testing, and construction. A largely qualitative approach was used since a radiological System Safety analysis is not required. The risk assessment in this analysis characterizes the accident scenarios associated with the Design Package 1D structures/systems/components in terms of relative risk and includes recommendations for mitigating all identified risks. The priority for recommending and implementing mitigation control features is: (1) Incorporate measures to reduce risks and hazards into the structure/system/component (S/S/C) design, (2) add safety devices and capabilities to the designs that reduce risk, (3) provide devices that detect and warn personnel of hazardous conditions, and (4) develop procedures and conduct training to increase worker awareness of potential hazards, on methods to reduce exposure to hazards, and on the actions required to avoid accidents or correct hazardous conditions. The scope of this analysis is limited to the Design Package 1D structures/systems/components (S/S/Cs) during normal operations excluding hazards occurring during maintenance and ''off normal'' operations.

  8. A photochemical reactor for studies of atmospheric chemistry

    NASA Astrophysics Data System (ADS)

    Nilsson, E. J. K.; Eskebjerg, C.; Johnson, M. S.

    A photochemical reactor for studies of atmospheric kinetics and spectroscopy has been built at the Copenhagen Center for Atmospheric Research. The reactor consists of a vacuum FTIR spectrometer coupled to a 100 L quartz cylinder by multipass optics mounted on electropolished stainless steel end flanges, surrounded by UV-A, UV-C and broadband sun lamps in a temperature-controlled housing. The combination of a quartz vessel and UV-C lamps allows higher concentrations of O( 1D) and OH than can be generated by similar chambers. The reactor is able to produce radical concentrations of ca. 8 × 10 11 cm -3 for OH, 3 × 10 6 cm -3 for O( 1D), 3.3 × 10 10 cm -3 for O( 3P) and 1.6 × 10 12 cm -3 for Cl. The reactor can be operated at pressures from 10 -3 to 10 3 mbar and temperatures from 240 to 330 K. As a test of the system we have studied the reaction CHCl 3 + Cl using the relative rate technique and find k CHCl3+Cl/k CH4+Cl = 1.03 ± 0.11, in good agreement with the accepted value.

  9. Development of a speciated, hourly, and gridded air pollutants emission modeling system--a case study on the precursors of photochemical smog in the Seoul metropolitan area, Korea.

    PubMed

    Kim, D Y; Kim, J W

    2000-03-01

    A speciated, hourly, and gridded air pollutants emission modeling system (SHEMS) was developed and applied in predicting hourly nitrogen dioxide (NO2) and ozone (O3) levels in the Seoul Metropolitan Area (SMA). The primary goal of the SHEMS was to produce a systemized emission inventory for air pollutants including ozone precursors for modeling air quality in urban areas. The SHEMS is principally composed of three parts: (1) a pre-processor to process emission factors, activity levels, and spatial and temporal information using a geographical information system; (2) an emission model for each source type; and (3) a post-processor to produce report and input data for air quality models through database modeling. The source categories in SHEMS are point, area, mobile, natural, and other sources such as fugitive emissions. The emission database produced by SHEMS contains 22 inventoried compounds: sulfur dioxide, NO2, carbon monoxide, and 19 speciated volatile organic compounds. To validate SHEMS, the emission data were tested with the Urban Airshed Model to predict NO2 and O3 concentrations in the SMA during selected episode days in 1994. The results turned out to be reliable in describing temporal variation and spatial distribution of those pollutants.

  10. Seasonal Photochemical Transformations of Nitrogen Species in a Forest Stream and Lake

    PubMed Central

    Porcal, Petr; Kopáček, Jiří; Tomková, Iva

    2014-01-01

    The photochemical release of inorganic nitrogen from dissolved organic matter is an important source of bio-available nitrogen (N) in N-limited aquatic ecosystems. We conducted photochemical experiments and used mathematical models based on pseudo-first-order reaction kinetics to quantify the photochemical transformations of individual N species and their seasonal effects on N cycling in a mountain forest stream and lake (Plešné Lake, Czech Republic). Results from laboratory experiments on photochemical changes in N speciation were compared to measured lake N budgets. Concentrations of organic nitrogen (Norg; 40–58 µmol L−1) decreased from 3 to 26% during 48-hour laboratory irradiation (an equivalent of 4–5 days of natural solar insolation) due to photochemical mineralization to ammonium (NH4+) and other N forms (Nx; possibly N oxides and N2). In addition to Norg mineralization, Nx also originated from photochemical nitrate (NO3−) reduction. Laboratory exposure of a first-order forest stream water samples showed a high amount of seasonality, with the maximum rates of Norg mineralization and NH4+ production in winter and spring, and the maximum NO3− reduction occurring in summer. These photochemical changes could have an ecologically significant effect on NH4+ concentrations in streams (doubling their terrestrial fluxes from soils) and on concentrations of dissolved Norg in the lake. In contrast, photochemical reactions reduced NO3− fluxes by a negligible (<1%) amount and had a negligible effect on the aquatic cycle of this N form. PMID:25551441

  11. An Integrative Study of Photochemical Air Pollution in Hong Kong: an Overview

    NASA Astrophysics Data System (ADS)

    Wang, T.

    2014-12-01

    Hong Kong is situated in the Pearl River delta of Southern China. This region has experienced phenomenal economic growth in the past 30 years. Emissions of large amount of pollutants from urban areas and various industries coupled with subtropical climate have led to frequent occurrences of severe photochemical air pollution. Despite the long-term control efforts of the Hong Kong government, the atmospheric levels of ozone have been increasing in the past decade. To obtain an updated and more complete understanding of photochemical smog, an integrative study has been conducted during 2010-2014. Several intensive measurement campaigns were carried out at urban, suburban and rural sites in addition to the routine observations at fourteen air quality monitoring stations in Hong Kong. Meteorological, photochemical, and chemical-transport modeling studies were conducted to investigate the causes/processes of elevated photochemical pollution . The main activities of this study were to (1) examine the situation and trends of photochemical air pollution in Hong Kong, (2) understand some underlying chemical processes in particular the poorly-understood heterogeneous processes of reactive nitrogen oxides, (3) quantify the local, regional, and super-regional contributions to the ozone pollution in Hong Kong, and (4) review the control policy and make further recommendations based on the science. This paper will give an overview of this study and present some key results on the trends and chemistry of the photochemical pollution in this polluted subtropical region.

  12. Contribution of regional-scale fire events to ozone and PM2.5 air quality estimated by photochemical modeling approaches

    EPA Science Inventory

    Two specific fires from 2011 are tracked for local to regional scale contribution to ozone (O3) and fine particulate matter (PM2.5) using a freely available regulatory modeling system that includes the BlueSky wildland fire emissions tool, Spare Matrix Operator Kernel Emissions (...

  13. Centrosome Positioning in 1D Cell Migration

    NASA Astrophysics Data System (ADS)

    Adlerz, Katrina; Aranda-Espinoza, Helim

    During cell migration, the positioning of the centrosome and nucleus define a cell's polarity. For a cell migrating on a two-dimensional substrate the centrosome is positioned in front of the nucleus. Under one-dimensional confinement, however, the centrosome is positioned behind the nucleus in 60% of cells. It is known that the centrosome is positioned by CDC42 and dynein for cells moving on a 2D substrate in a wound-healing assay. It is currently unknown, however, if this is also true for cells moving under 1D confinement, where the centrosome position is often reversed. Therefore, centrosome positioning was studied in cells migrating under 1D confinement, which mimics cells migrating through 3D matrices. 3 to 5 μm fibronectin lines were stamped onto a glass substrate and cells with fluorescently labeled nuclei and centrosomes migrated on the lines. Our results show that when a cell changes directions the centrosome position is maintained. That is, when the centrosome is between the nucleus and the cell's trailing edge and the cell changes direction, the centrosome will be translocated across the nucleus to the back of the cell again. A dynein inhibitor did have an influence on centrosome positioning in 1D migration and change of directions.

  14. The Impact of Bdnf Gene Deficiency to the Memory Impairment and Brain Pathology of APPswe/PS1dE9 Mouse Model of Alzheimer’s Disease

    PubMed Central

    Rantamäki, Tomi; Kemppainen, Susanna; Autio, Henri; Stavén, Saara; Koivisto, Hennariikka; Kojima, Masami; Antila, Hanna; Miettinen, Pasi O.; Kärkkäinen, Elisa; Karpova, Nina; Vesa, Liisa; Lindemann, Lothar; Hoener, Marius C.; Tanila, Heikki; Castrén, Eero

    2013-01-01

    Brain-derived neurotrophic factor (BDNF) importantly regulates learning and memory and supports the survival of injured neurons. Reduced BDNF levels have been detected in the brains of Alzheimer’s disease (AD) patients but the exact role of BDNF in the pathophysiology of the disorder remains obscure. We have recently shown that reduced signaling of BDNF receptor TrkB aggravates memory impairment in APPswe/PS1dE9 (APdE9) mice, a model of AD. The present study examined the influence of Bdnf gene deficiency (heterozygous knockout) on spatial learning, spontaneous exploratory activity and motor coordination/balance in middle-aged male and female APdE9 mice. We also studied brain BDNF protein levels in APdE9 mice in different ages showing progressive amyloid pathology. Both APdE9 and Bdnf mutations impaired spatial learning in males and showed a similar trend in females. Importantly, the effect was additive, so that double mutant mice performed the worst. However, APdE9 and Bdnf mutations influenced spontaneous locomotion in contrasting ways, such that locomotor hyperactivity observed in APdE9 mice was normalized by Bdnf deficiency. Obesity associated with Bdnf deficiency did not account for the reduced hyperactivity in double mutant mice. Bdnf deficiency did not alter amyloid plaque formation in APdE9 mice. Before plaque formation (3 months), BDNF protein levels where either reduced (female) or unaltered (male) in the APdE9 mouse cortex. Unexpectedly, this was followed by an age-dependent increase in mature BDNF protein. Bdnf mRNA and phospho-TrkB levels remained unaltered in the cortical tissue samples of middle-aged APdE9 mice. Immunohistological studies revealed increased BDNF immunoreactivity around amyloid plaques indicating that the plaques may sequester BDNF protein and prevent it from activating TrkB. If similar BDNF accumulation happens in human AD brains, it would suggest that functional BDNF levels in the AD brains are even lower than reported, which could

  15. Vulnerability of calbindin, calretinin and parvalbumin in a transgenic/knock-in APPswe/PS1dE9 mouse model of Alzheimer disease together with disruption of hippocampal neurogenesis.

    PubMed

    Verdaguer, Ester; Brox, Susana; Petrov, Dmitry; Olloquequi, Jordi; Romero, Rafael; de Lemos, M Luisa; Camins, Antoni; Auladell, Carme

    2015-09-01

    The pathogenesis of Alzheimer disease (AD) is characterized by accumulation of β-amyloid protein in the brain (in both soluble and insoluble forms) and by the presence of intracellular neurofibrillary tangles (NFTs), leading to neurotoxicity. The exact mechanisms whereby Aβ triggers brain alterations are unclear. However, accumulating evidence suggests that a deregulation of Ca(2+) signaling may play a major role in disease progression. Calcium-buffering proteins, including calbindin-D28K (CB), calretinin (CR) and parvalbumin (PV), may offer neuroprotection by maintaining calcium homeostasis. Although marked reductions in these proteins have been observed in the brains of mice and humans with AD, their contribution to AD pathology remains unclear. The aim of the present study was to analyze distribution patterns of CB(+,) CR(+) and PV(+) interneurons in different areas of the hippocampus, a brain region that is severely affected in AD. A transgenic knock-in APPswe/PS1dE9 mouse model of familial AD was used. The data were obtained from the brains of 3- and 12-month-old animals. These ages roughly correspond to an early mature adult (prior to clinical manifestations) and a late middle-age (clinical symptoms readily detectable) phase in human AD patients. Immunostaining revealed increases in CB and PV immunoreactivity (IR) in the hippocampus of 3-month-old transgenic mice, compared to wild-type animals. Possibly, these proteins are upregulated in an attempt to control cellular homeostasis and synaptic plasticity. However, the pattern of CB-IR was reversed in 12-month-old animals, potentially indicating a loss of cellular capacity to respond to pathophysiological processes. In addition, at this age, a noticeable increase in PV-IR was observed, suggesting the presence of hippocampal network hyperactivity in older AD-like mice. Our results indicate that CaBP(+) neuronal subpopulations play a role in adult neurogenesis and in AD pathology, particularly at early disease

  16. Photochemical model evaluation of the ground-level ozone impacts on ambient air quality and vegetation health in the Alberta oil sands region: Using present and future emission scenarios

    NASA Astrophysics Data System (ADS)

    Vijayaraghavan, Krish; Cho, Sunny; Morris, Ralph; Spink, David; Jung, Jaegun; Pauls, Ron; Duffett, Katherine

    2016-09-01

    One of the potential environmental issues associated with oil sands development is increased ozone formation resulting from NOX and volatile organic compound emissions from bitumen extraction, processing and upgrading. To manage this issue in the Athabasca Oil Sands Region (AOSR) in northeast Alberta, a regional multi-stakeholder group, the Cumulative Environmental Management Association (CEMA), developed an Ozone Management Framework that includes a modelling based assessment component. In this paper, we describe how the Community Multi-scale Air Quality (CMAQ) model was applied to assess potential ground-level ozone formation and impacts on ambient air quality and vegetation health for three different ozone precursor cases in the AOSR. Statistical analysis methods were applied, and the CMAQ performance results met the U.S. EPA model performance goal at all sites. The modelled 4th highest daily maximum 8-h average ozone concentrations in the base and two future year scenarios did not exceed the Canada-wide standard of 65 ppb or the newer Canadian Ambient Air Quality Standards of 63 ppb in 2015 and 62 ppb in 2020. Modelled maximum 1-h ozone concentrations in the study were well below the Alberta Ambient Air Quality Objective of 82 ppb in all three cases. Several ozone vegetation exposure metrics were also evaluated to investigate the potential impact of ground-level ozone on vegetation. The chronic 3-months SUM60 exposure metric is within the CEMA baseline range (0-2000 ppb-hr) everywhere in the AOSR. The AOT40 ozone exposure metric predicted by CMAQ did not exceed the United Nations Economic Commission for Europe (UN/ECE) threshold of concern of 3000 ppb-hr in any of the cases but is just below the threshold in high-end future emissions scenario. In all three emission scenarios, the CMAQ predicted W126 ozone exposure metric is within the CEMA baseline threshold of 4000 ppb-hr. This study outlines the use of photochemical modelling of the impact of an industry (oil

  17. Formation and inhibition of photochemical smog

    SciTech Connect

    Heicklen, J.

    1987-01-01

    Photochemical smog is caused by a free-radical chain mechanism which converts NO to NO/sub 2/. The NO/sub 2/ further reacts to produce ozone, nitric acid, and peracylnitrates. This chain mechanism can be inhibited by suitable free-radical scavengers. The chemistry and toxicology of one such free-radical scavenger, diethylhydroxylamine, has been studied in depth. It has been shown to be effective, safe, and practical for use in urban atmospheres to prevent photochemical smog formation. 42 references.

  18. 1-D Numerical Analysis of ABCC Engine Performance

    NASA Technical Reports Server (NTRS)

    Holden, Richard

    1999-01-01

    ABCC engine combines air breathing and rocket engine into a single engine to increase the specific impulse over an entire flight trajectory. Except for the heat source, the basic operation of the ABCC is similar to the basic operation of the RBCC engine. The ABCC is intended to have a higher specific impulse than the RBCC for single stage Earth to orbit vehicle. Computational fluid dynamics (CFD) is a useful tool for the analysis of complex transport processes in various components in ABCC propulsion system. The objective of the present research was to develop a transient 1-D numerical model using conservation of mass, linear momentum, and energy equations that could be used to predict flow behavior throughout a generic ABCC engine following a flight path. At specific points during the development of the 1-D numerical model a myriad of tests were performed to prove the program produced consistent, realistic numbers that follow compressible flow theory for various inlet conditions.

  19. Diagnosis of Photochemical Ozone Production Rates and Limiting Factors based on Observation-based Modeling Approach over East Asia: Impact of Radical Chemistry Mechanism and Ozone-Control Implications

    NASA Astrophysics Data System (ADS)

    Kanaya, Y.

    2015-12-01

    Growth of tropospheric ozone, causing health and climate impacts, is concerned over East Asia, because emissions of precursors have dramatically increased. Photochemical production rates of ozone and limiting factors, primarily studied for urban locations, have been poorly assessed within a perspective of regional-scale air pollution over East Asia. We performed comprehensive observations of ozone precursors at several locations with regional representativeness and made such assessment based on the observation-based modeling approach. Here, diagnosis at Fukue Island (32.75°N, 128.68°E) remotely located in western Japan (May 2009) is highlighted, where the highest 10% of hourly ozone concentrations reached 72‒118 ppb during May influenced by Asian continental outflow. The average in-situ ozone production rate was estimated to be 6.8 ppb per day, suggesting that in-travel production was still active, while larger buildup must have occurred beforehand. Information on the chemical status of the air mass arriving in Japan is important, because it affects how further ozone production occurs after precursor addition from Japanese domestic emissions. The main limiting factor of ozone production was usually NOx, suggesting that domestic NOx emission control is important in reducing further ozone production and the incidence of warning issuance (>120 ppb). VOCs also increased the ozone production rate, and occasionally (14% of time) became dominant. This analysis implies that the VOC reduction legislation recently enacted should be effective. The uncertainty in the radical chemistry mechanism governing ozone production had a non-negligible impact, but the main conclusion relevant to policy was not altered. When chain termination was augmented by HO2-H2O + NO/NO2 reactions and by heterogeneous loss of HO2 on aerosol particle surfaces, the daily ozone production rate decreased by <24%, and the fraction of hours when the VOC-limited condition occurred varied from 14% to 13

  20. On the origin of the ionosphere at Moon : a study using results from Chandrayaan-I S-band radio occultation experiment and a photochemical model

    NASA Astrophysics Data System (ADS)

    Kailasam Madathil, Ambili; Bhardwaj, Anil; Choudhary, Raj Kumar

    2016-07-01

    Using Chandrayaan-1 communication link between orbiter and ground (S-band frequency), the presence of ionosphere at Moon has been explored using Radio Occultation technique. Results obtained from the observations conducted between July 30 and August 14, 2009 show evidence for a possible existence of the Ionosphere at Moon. A few seconds before the occultation of Chandrayaan-1 radio signals, extra fluctuation in the rate of change of difference between the theoretically estimated Doppler and observed Doppler was observed. The fluctuation was more pronounced when the probing radio waves were crossing through the day-night terminator. Using standard onion-peeling technique to invert the phase changes in radio signals to the refractivity of the medium, we estimated the bending angle and hence the electron density profiles for the Lunar medium. The estimated electron density near the Lunar surface was of the order of 400 - 1000 cm ^{-3} which decreased monotonically with increasing altitude till about 40 km above the surface where it became negligible. The observed electron density was compared with the results from a model which was developed based on CHACE measurements abroad Moon Impact Probe of Chandrayaan-I. The model included the photo chemical reactions and solar wind interactions of the lunar plasma. We propose that the ionosphere over Moon could have molecular origin with H _{2}O ^{+},CO_{2} ^{+} and H_{3}O ^{+} as dominant ions.

  1. Asian, U.S., and European contributions to tropospheric O3 and its precursors in the Northern Hemisphere: a global photochemical model analysis.

    NASA Astrophysics Data System (ADS)

    Mauzerall, D. L.; Horowitz, L. W.; Phadnis, M.; Walters, S.

    2001-05-01

    A growing challenge to the atmospheric science community is to quantify the fluxes of pollution out of specific regions and the effect that those fluxes have on regions downwind and on the global troposphere. In this paper we describe the seasonal fluxes of O3 and its precursors into and out of the boundary layer of the United States (U.S.), Europe and Asia using MOZART v.2 (Model for OZone and Related chemical Tracers, version 2), a global chemical tracer model. These regions all have large and/or rapidly increasing anthropogenic emissions and are both influencing regions downwind and being influenced by upwind regions. Transboundary air pollution is an issue of increasing importance and here we present a comparison of the import and export of O3 and its precursors from these three regions as well as a budget for each species within the region. MOZART v.2 archives fluxes of O3, CO, stratospheric O3, and important NOy species across all grid cell boundaries as well as mass changes within grid boxes due to advection, convection, photochemistry and deposition. We use this to track seasonal variations in the direction of advective fluxes and to examine the relative importance of specific processes influencing the ozone budget of individual regions. Using MOZART-2 we are able to compare the budgets of O3, its primary precursors, and stratospheric O3 in the three regions in a consistent fashion. Our presentation will provide quantitative seasonal budgets and fluxes for O3 and its precursors within these three regions. In addition, we have independently tagged CO emitted from fossil fuel and biomass burning within each region and use the tagged CO as an indicator of the influence each region has on the others.

  2. 40 CFR 52.1877 - Control strategy: Photochemical oxidants (hydrocarbons).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... oxidants (hydrocarbons). 52.1877 Section 52.1877 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY....1877 Control strategy: Photochemical oxidants (hydrocarbons). (a) The requirements of Subpart G of this... national standard for photochemical oxidants (hydrocarbons) in the Metropolitan Cincinnati...

  3. 40 CFR 52.1877 - Control strategy: Photochemical oxidants (hydrocarbons).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... oxidants (hydrocarbons). 52.1877 Section 52.1877 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY....1877 Control strategy: Photochemical oxidants (hydrocarbons). (a) The requirements of Subpart G of this... national standard for photochemical oxidants (hydrocarbons) in the Metropolitan Cincinnati...

  4. 40 CFR 52.1877 - Control strategy: Photochemical oxidants (hydrocarbons).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... oxidants (hydrocarbons). 52.1877 Section 52.1877 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY....1877 Control strategy: Photochemical oxidants (hydrocarbons). (a) The requirements of Subpart G of this... national standard for photochemical oxidants (hydrocarbons) in the Metropolitan Cincinnati...

  5. 40 CFR 52.1877 - Control strategy: Photochemical oxidants (hydrocarbons).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... oxidants (hydrocarbons). 52.1877 Section 52.1877 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY....1877 Control strategy: Photochemical oxidants (hydrocarbons). (a) The requirements of Subpart G of this... national standard for photochemical oxidants (hydrocarbons) in the Metropolitan Cincinnati...

  6. 40 CFR 52.1877 - Control strategy: Photochemical oxidants (hydrocarbons).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... oxidants (hydrocarbons). 52.1877 Section 52.1877 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY....1877 Control strategy: Photochemical oxidants (hydrocarbons). (a) The requirements of Subpart G of this... national standard for photochemical oxidants (hydrocarbons) in the Metropolitan Cincinnati...

  7. A Simple Parallel Photochemical Reactor for Photodecomposition Studies

    ERIC Educational Resources Information Center

    Xiaobo Chen; Halasz, Sarah M.; Giles, Eric C.; Mankus, Jessica V.; Johnson, Joseph C.; Burda, Clemens

    2006-01-01

    A simple and useful parallel photochemical reactor intended to study the photodecomposition of dyes using semiconductor photocatalysis is presented. The photochemical reactions are followed through time-dependent changes in the ground-state absorption spectra of the dyes.

  8. EMERGING TECHNOLOGY PROJECT BULLETIN: LASER INDUCED PHOTOCHEMICAL OXIDATIVE DESTRUCTION

    EPA Science Inventory

    The process developed by Energy and Environmental Engineering, Incorporated, is designed to photochemically oxidize organic compounds in wastewater by applying ultraviolet radiation using an Excimer laser. The photochemical reactor can destroy low to moderate concentrations...

  9. HANDBOOK ON ADVANCED PHOTOCHEMICAL OXIDATION PROCESSES

    EPA Science Inventory

    This handbook summarizes commercial-scale system performance and cost data for advanced photochemical oxidation (APO) treatment of contaminated water, air, and solids. Similar information from pilot- and bench-scale evaluations of APO processes is also included to supplement the...

  10. Photochemical source of metals for sediments.

    PubMed

    Kopácek, Jirí; Maresová, Marie; Norton, Stephen A; Porcal, Petr; Veselý, Josef

    2006-07-15

    A mass budget study of major in-lake Al fluxes, palaeolimnological data on a >10,000 year old sediment record, and in situ photochemical experiments performed at Plesné Lake (Czech Republic) suggest that photochemical liberation of organically bound aluminum (Al) and iron (Fe) by solar radiation is a significant natural source of their ionic species for lakes and subsequent oxyhydroxides for sediments. The results show that photochemically induced transformation of dissolved Al and Fe to solid oxyhydroxides deposited to Plesné Lake sediment dominated (91 and 73%, respectively) their sedimentary flux throughout the preindustrial era, since soil formation initiated in the catchment. The following sequence of processes occurs: (i) soil organic acids dissolve and bind metals and export them from terrestrial to aquatic systems. (ii) Photochemical decomposition of organic-metal complexes liberates a significant portion (approximately 50% in Pleseé Lake) of organically bound Al and Fe as inorganic ions. (iii) The liberated ionic Al and Fe hydrolyze, precipitate as oxyhydroxide particles, and settle. We hypothesise that the same Al and Fe transporting process occurs in other lakes and coastal marine areas and is ecologically important because Al and Fe oxyhydroxides can bind trace metals and phosphorus.

  11. Photochemical Transformation of Graphene Oxide in Sunlight

    EPA Science Inventory

    Graphene oxide (GO) is a graphene derivative that is more easily manufactured in large scale and used to synthesize reduced graphene oxide (rGO) with properties analogous to graphene. In this study, we investigate the photochemical fate of GO under sunlight conditions. The resu...

  12. Pluto's Photochemical Haze and Comparison to that of Titan

    NASA Astrophysics Data System (ADS)

    Yung, Yuk; Gao, Peter; Fan, Siteng; Wong, Michael; Kammer, Joshua A.; Summers, Michael; Gladstone, Randy; Young, Leslie

    2016-10-01

    The New Horizons flyby of Pluto confirmed the existence of hazes in its atmosphere. The observations suggest that the haze particles are fractal aggregates, analogous to the photochemical hazes on Titan. Therefore, studying the Pluto hazes can shed light on the similarities and differences between the Pluto and Titan atmospheres. We model the haze distributions of both worlds using the Community Aerosol and Radiation Model for Atmospheres assuming that the distribution is shaped by transport and aggregation of particles originating from photochemistry. The results of our models are compared to solar occultation observations taken by New Horizons for Pluto, and Cassini for Titan. For Pluto, satisfactory agreement with observations is obtained when the aggregate monomer size is 10 nm and the downward mass flux of photochemical products is equal to the column-integrated methane destruction rate. The effective particle radius is ~0.1-0.2 μm near Pluto's surface, consistent with forward scattering measurements. We also consider the effect of condensation of HCN, C2H2, C2H4, and C2H6 on the haze particles, which may play an important effect in shaping their altitude and size distributions. An alternative spherical particle case requires a downward mass flux 2-3 times larger, and resulted in particles 4 times smaller near the surface. For Titan, satisfactory agreement with data is found with comparatively smaller monomers and a downward mass flux of photochemical products much less than Titan's column-integrated methane destruction rate, though degeneracy between these two parameters may affect our results.

  13. Phase diagram of a bulk 1d lattice Coulomb gas

    NASA Astrophysics Data System (ADS)

    Démery, V.; Monsarrat, R.; Dean, D. S.; Podgornik, R.

    2016-01-01

    The exact solution, via transfer matrix, of the simple one-dimensional lattice Coulomb gas (1d LCG) model can reproduce peculiar features of ionic liquid capacitors, such as overscreening, layering, and camel- and bell-shaped capacitance curves. Using the same transfer matrix method, we now compute the bulk properties of the 1d LCG in the constant voltage ensemble. We unveil a phase diagram with rich structure exhibiting low-density disordered and high-density ordered phases, separated by a first-order phase transition at low temperature; the solid state at full packing can be ordered or not, depending on the temperature. This phase diagram, which is strikingly similar to its three-dimensional counterpart, also sheds light on the behaviour of the confined system.

  14. A 1-D dusty plasma photonic crystal

    SciTech Connect

    Mitu, M. L.; Ticoş, C. M.; Toader, D.; Banu, N.; Scurtu, A.

    2013-09-21

    It is demonstrated numerically that a 1-D plasma crystal made of micron size cylindrical dust particles can, in principle, work as a photonic crystal for terahertz waves. The dust rods are parallel to each other and arranged in a linear string forming a periodic structure of dielectric-plasma regions. The dispersion equation is found by solving the waves equation with the boundary conditions at the dust-plasma interface and taking into account the dielectric permittivity of the dust material and plasma. The wavelength of the electromagnetic waves is in the range of a few hundred microns, close to the interparticle separation distance. The band gaps of the 1-D plasma crystal are numerically found for different types of dust materials, separation distances between the dust rods and rod diameters. The distance between levitated dust rods forming a string in rf plasma is shown experimentally to vary over a relatively wide range, from 650 μm to about 1350 μm, depending on the rf power fed into the discharge.

  15. A photochemically driven molecular-level a