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 BOX MODEL (PBM)

    EPA Science Inventory

    This magnetic tape contains the FORTRAN source code, sample input data, and sample output data for the Photochemical Box Model (PBM). The PBM is a simple stationary single-cell model with a variable height lid designed to provide volume-integrated hour averages of O3 and other ph...

  4. PHOTOCHEMICAL MODELING APPLIED TO NATURAL WATERS

    EPA Science Inventory

    The study examines the application of modeling photochemical processes in natural water systems. For many photochemical reactions occurring in natural waters, a simple photochemical model describing reaction rate as a function of intensity, radiation attenuation, reactant absorpt...

  5. Photochemical modeling of Titan's atmosphere

    PubMed

    Toublanc, D; Parisot, J P; Brillet, J; Gautier, D; Raulin, F; McKay, C P

    1995-01-01

    We have developed a new photochemical model of Titan's atmosphere which includes all the important compounds and reactions in spherical geometry from the surface to 1240 km. Compared to the previous model of Yung et al. (1984, Astrophys. J. Suppl. 55, 465-506), the most significant recent change in the reactions used is the updated methane photodissociation scheme (Mordaunt et al. 1993, J. Chem. Phys. 98(3), 2054-2065). Moreover, the transfer of the solar radiation in the atmosphere and the photolysis rates have been calculated by using a Monte Carlo code. Finally, the eddy diffusion coefficient profile is adjusted in order to fit the mean vertical distribution of HCN retrieved from millimeter groundbased observations of Tanguy et al. (1990, Icarus, 85, 43-57) using new values for the boundary flux of atomic nitrogen (Strobel et al. 1992, Icarus 100, 512-526). We have run the model in both steady-state and diurnal modes, with 62 speices involved in 249 reactions. There is little difference between diurnal and steady-state results. Overall our results are in a closer agreement with the abundances inferred from the Voyager infrared measurements at the equator than the Yung et al. results. We find that the catalytic scheme for H recombination invoked by Yung et al. only slightly improves the model results and we conclude that this scheme is not essential to fit observations. PMID:11538950

  6. 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.

  7. 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.

  8. A PHOTOCHEMICAL BOX MODEL FOR URBAN AIR QUALITY SIMULATION

    EPA Science Inventory

    A simple 'box-approach' to air quality simulation modeling has been developed in conjunction with a newly formulated photochemical kinetic mechanism to produce an easily applied Photochemical Box Model (PBM). This approach represents an urban area as a single cell 20 km in both l...

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. PHOTOCHEMICAL URBAN AIRSHED MODELING USING DIAGNOSTIC AND DYNAMIC METEOROLOGICAL FIELDS

    EPA Science Inventory

    Spatial pollutant patterns and peak concentrations are strongly influenced by meteorological parameters. herefore, accurate hourly, gridded meteorological data sets are crucial inputs for photochemical modeling. n effort has been underway to apply both diagnostic and dynamic mete...

  15. Mathematical Modeling of Photochemical Air Pollution.

    NASA Astrophysics Data System (ADS)

    McRae, Gregory John

    Air pollution is an environmental problem that is both pervasive and difficult to control. An important element of any rational control approach is a reliable means for evaluating the air quality impact of alternative abatement measures. This work presents such a capability, in the form of a mathematical description of the production and transport of photochemical oxidants within an urban airshed. The combined influences of advection, turbulent diffusion, chemical reaction, emissions and surface removal processes are all incorporated into a series of models that are based on the species continuity equations. A delineation of the essential assumptions underlying the formulation of a three-dimensional, a Lagrangian trajectory, a vertically integrated and single cell air quality model is presented. Since each model employs common components and input data the simpler forms can be used for rapid screening calculations and the more complex ones for detailed evaluations. The flow fields, needed for species transport, are constructed using inverse distance weighted polynomial interpolation techniques that map routine monitoring data onto a regular computational mesh. Variational analysis procedures are then employed to adjust the field so that mass is conserved. Initial concentration and mixing height distributions can be established with the same interpolation algorithms. Subgrid scale turbulent transport is characterized by a gradient diffusion hypothesis. Similarity solutions are used to model the surface layer fluxes. Above this layer different treatments of turbulent diffusivity are required to account for variations in atmospheric stability. Convective velocity scaling is utilized to develop eddy diffusivities for unstable conditions. The predicted mixing times are in accord with results obtained during sulfur hexafluoride (SF(,6)) tracer experiments. Conventional models are employed for neutral and stable conditions. A new formulation for gaseous deposition fluxes

  16. 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.

  17. USER'S GUIDE FOR THE PHOTOCHEMICAL BOX MODEL (PBM)

    EPA Science Inventory

    The User's Guide for the Photochemical Box Model (PBM) attempts to describe the structure and operation of the model and its preprocessors as well as provide the potential user with guidance in setting up input data. The PBM is a simple stationary single-cell model with a variabl...

  18. EFFECTS OF PHOTOCHEMICAL KINETIC MECHANISMS ON OXIDANT MODEL PREDICTIONS

    EPA Science Inventory

    The comparative effects of kinetic mechanisms on oxidant model predictions have been tested using two different mechanisms (the Carbon-Bond Mechanism II (CBM-II) and the Demerjian Photochemical Box Model (DPBM) mechanism) in three air quality models (the OZIPM/EKMA, the Urban Air...

  19. 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.

  20. Pluto Photochemical Models for the New Horizons Flyby

    NASA Astrophysics Data System (ADS)

    Gladstone, R.; Wong, M. L.; Yung, Y. L.

    2014-12-01

    During the New Horizons flyby of the Pluto system on July 14, 2015 a number of observations will be made to determine the structure, composition, and variability of Pluto's atmosphere. A key observation of this type is the Alice solar occultation, which will measure the full disk ultraviolet (52-187 nm) spectral flux from the Sun through ingress and egress behind Pluto, about one hour after closest approach. This observation will be used to determine the temperature and vertical density profiles of N2, CH4, and various minor species above two regions of very different surface albedo. Nearly simultaneous Earth ingress and egress occultations observed in X-band uplink will provide profiles of temperature and pressure in Pluto's lower atmosphere, and electron densities in the ionosphere. Wave structures in both the solar and radio occultation data will provide constraints on atmospheric dynamics. In order to interpret and understand these data sets, we have modified a 1-D Titan photochemical model to Pluto, for the epoch of the New Horizons flyby. The model uses a similar, but updated reaction list to that of Krasnopolsky and Cruikshank [1999] and Wong et al. [2014], and adopts the results of Zhu et al. [2014] for the background atmosphere. We present here initial results for several assumed eddy diffusion profiles. Krasnopolsky, V. A., and D. P. Cruikshank, J. Geophys. Res., 104, 21,979, 1999. Wong, M. L., Y. L. Yung, and G. R. Gladstone, Icarus, in press, 2014. Zhu, X., D F. Strobel, and J. T. Erwin, Icarus, 228, 301, 2014.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. Cloud pumping in a one-dimensional photochemical model

    NASA Technical Reports Server (NTRS)

    Costen, Robert C.; Tennille, Geoffrey M.; Levine, Joel S.

    1988-01-01

    Cloud pumping data based on tropical maritime updraft statistics are incorporated in a one-dimensional steady-state eddy diffusive photochemical model of the troposphere. It is suggested that regions with weaker convection, such as the midlatitudes, may also experience substantial effects from cloud pumping. The direct effects of cloud pumping on CO were found to be more significant than implied by sensitivity studies. The (CH3)2S profile computed with cloud pumping agrees well with previous data.

  7. A 1-D morphodynamic model of postglacial valley incision

    NASA Astrophysics Data System (ADS)

    Tunnicliffe, Jon F.; Church, Michael

    2015-11-01

    Chilliwack River is typical of many Cordilleran valley river systems that have undergone dramatic Holocene degradation of valley fills that built up over the course of Pleistocene glaciation. Downstream controls on base level, mainly blockage of valleys by glaciers, led to aggradation of significant glaciofluvial and glaciolacustrine valley fills and fan deposits, subsequently incised by fluvial action. Models of such large-scale, long-term degradation present a number of important challenges since the evolution of model parameters, such as the rate of bedload transport and grain size characteristics, are governed by the nature of the deposit. Sediment sampling in the Chilliwack Valley reveals a complex sequence of very coarse to fine textural modes. We present a 1-D numerical morphodynamic model for the river-floodplain system tailored to conditions in the valley. The model is adapted to dynamically adjust channel width to optimize sediment transporting capacity and to integrate relict valley fill material as the channel incises through valley deposits. Sensitivity to model parameters is studied using four principal criteria: profile concavity, rate of downstream grain size fining, bed surface sand content, and the timescale to equilibrium. Model results indicate that rates of abrasion and coarsening of the grain size distributions exert the strongest controls on all of the interrelated model performance criteria. While there are a number of difficulties in satisfying all model criteria simultaneously, results indicate that 1-D models of valley bottom sedimentary systems can provide a suitable framework for integrating results from sediment budget studies and chronologies of sediment evacuation established from dating.

  8. 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)

  9. Photochemical reactions of various model protocell systems

    NASA Technical Reports Server (NTRS)

    Folsome, C. E.

    1986-01-01

    Models for the emergence of cellular life on the primitive Earth, and for physical environments of that era have been studied that embody these assumptions: (1) pregenetic cellular forms were phase-bounded systems primarily photosynthetic in nature, and (2) the early Earth environment was anoxic (lacking appreciable amounts of free hydrogen). It was found that organic structures can also be formed under anoxic conditions (N2, CO3=, H2O) by protracted longwavelength UV radiation. Apparently these structures form initially as organic layers upon CaCO3 crystalloids. The question remains as to whether the UV photosynthetic ability of such phase bounded structures is a curiosity, or a general property of phase bounded systems which is of direct interest to the emergence of cellular life. The question of the requirement and sailient features of a phase boundary for UV photosynthetic abilities was addressed by searching for similar general physical properties which might be manifest in a variety of other simple protocell-like structures. Since it has been shown that laboratory protocell models can effect the UV photosynthesis of low molecular weight compounds, this reaction is being used as an assay to survey other types of structures for similar UV photosynthetic reactions. Various kinds of structures surveyed are: (1) proteinoids; (2) liposomes; (3) reconstituted cell membrane spheroids; (4) coacervates; and (5) model protocells formed under anoxic conditions.

  10. 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.

  11. 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.

  12. A photochemical box model for urban air quality study

    SciTech Connect

    Jin, Shengxin.

    1991-01-01

    The photochemical box model (PBM) is based on the principle of mass conservation. The concentration of any pollutant is determined by horizontal advection, vertical entrainment, source emissions, and chemical reactions. A one dimensional high resolution boundary layer model by Blackadar has been further developed by considering the effect of urban heat islands to simulate the variation of the mixed layer height and incorporated in the PBM. The model predicted mixed layer height is a significant improvement over the characteristic mixed layer growth curve used in the original PBM by Schere and Demerjian. The gas phase chemical kinetic mechanism used in the Regional Acid Deposition Study II (RADM2) and Demerjian chemical mechanism have been used to calculate the contributions of chemical reactions to the changes of pollutant concentrations. Detailed analysis and comparisons of the two chemical mechanisms have been made. The simulated pollutant concentration using both chemical mechanisms are in very good agreement with observations. A radiative transfer model developed by Madronich has been incorporated in the PBM for the calculation of actinic flux and photolytic rate constants. Height averaged and radiation corrected photolytic rate constant are used for the photochemical reactions. The simulated pollutant concentrations for CO, NO, NO[sub 2] and O[sub s] are in very good agreement with observations. Sensitivities of model results to the variation of photolytic rate constants, boundary conditions, hydrocarbon speciation factors, and thermal rate constant have been tested.

  13. 1-D Modeling of Massive Particle Injection (MPI) in Tokamaks

    NASA Astrophysics Data System (ADS)

    Wu, W.; Parks, P. B.; Izzo, V. A.

    2008-11-01

    A 1-D Fast Current Quench (FCQ) model is developed to study current evolution and runaway electron suppression under massive density increase. The model consists of coupled toroidal electric field and energy equations, and it is solved numerically for DIII-D and ITER operating conditions. Simulation results suggest that fast shutdown by D2 liquid jet/pellet injection is in principle achievable for the desired plasma cooling time (˜15 ms for DIII-D and ˜50 ms for ITER) under ˜150x or higher densification. The current density and pressure profile are practically unaltered during the initial phase of jet propagation when dilution cooling dominates. With subsequent radiation cooling, the densified discharge enters the strongly collisional regime where Pfirsch-Schluter thermal diffusion can inhibit current contraction on the magnetic axis. Often the 1/1 kink instability, addressed by Kadomtsev's magnetic reconnection model, can be prevented. Our results are compared with NIMROD simulations in which the plasma is suddenly densified by ˜100x and experiences instantaneous dilution cooling, allowing for use of actual (lower) Lundquist numbers.

  14. User's guide for the Photochemical Box Model (PBM)

    NASA Astrophysics Data System (ADS)

    Schere, K. L.; Demerjian, K. L.

    1984-11-01

    The user's guide for the photochemical box model (PBM) describes the structure and operation of the model and its preprocessors and provides the potential user with guidance in setting up input data. The PBM is a simple stationary single-cell model with a variable height lid designed to provide volume-integrated hour averages of O3 and other photochemical smog pollutants of interest for an urban area for a single day of simulation. The PBM is most appropriate for application in air stagnation conditions with light and variable winds. The PBM assumes that emission sources are homogeneously distributed across the surface face of the box volume and that the volume is well mixed at all times. The user must provide the PBM with initial species concentrations, hourly inputs of wind speed, source emission fluxes of CO, NC(x), THC, and hydrocarbon reactivity classes, and boundary species concentrations. Values of measured solar radiation and mixed layer depth may be specified at subhourly intervals throughout a simulation.

  15. 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.

  16. 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.

  17. INVESTIGATION OF PHOTOCHEMICAL MODELING OF POINT SOURCE POLLUTANTS WITH EULERIAN GRID AND LAGRANGIAN PLUME APPROACHES

    EPA Science Inventory

    In this paper, results of Eulerian grid and Lagrangian photochemical model simulations of emissions from a major elevated point source are presented. eries of simulations with grid sizes varying from 30 km to 2 km were performed with the Urban Airshed Model, a photochemical grid ...

  18. Observation Characteristics and Model Validation of Photochemical Process in Guangzhou,China

    NASA Astrophysics Data System (ADS)

    Deng, Xuejiao

    2015-04-01

    An actinic radiation flux instrument was used for the observations at the Guangzhou Panyu Atmospheric Composition Station during October, 2012, in order to obtain eight types of material photolysis rates which were closely related to the photochemical process. The observation analysis and model validation were then carried out. The results showed that Guangzhou was significantly characterized by photochemical pollution in October, 2012. The maximum daily 8 hour average and the daily 1 hour maximum of the ozone concentration had monthly averages of 121.57 ppb and 155.00 ppb, respectively, which were greater than the national secondary standard by 62.81% and 66.08%, respectively. Also, the eight types of photolysis rates were related to the ozone concentration by different extents. Among these, the maximum daily 8 hour average and the daily 1 hour maximum of the photolysis rate J (NO2) were closely related to the ozone generation, with monthly averages of 7.12•10-3s-1 and 9.97•10-3s-1, respectively. The maximum daily 8 hour average and the daily 1 hour maximum of the photolysis rate J(O1D) were closely related to the ozone depletion, displaying monthly averages of 2.47•10-5s-1 and 3.18•10-5s-1, respectively. The Model CMAQ 5.0 was used for the simulation analysis in the cases of a sunny high ozone process. The results showed that, compared with the measured photolysis rate, the J (NO2) simulation value was approximately 30% to 40% lower, while the J (O1D) simulation result was 5% to 10% higher. Therefore, characteristics of the under-estimation of the photolysis rate J (NO2) and over-estimation of the J (O1D) clearly existed. That is to say, the formation rate of the O3 was under-estimated, while its depletion rate was over-estimated, which was a generally important cause which led to the model having a lower simulation of O3.

  19. 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.

  20. Transport and photochemical modeling. Studies of atmospheric species

    SciTech Connect

    Natarajan, M.

    1987-03-01

    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 NO/sub 2/, estimation of the stratospheric odd nitrogen level and its variability, and studies related to the changes in ozone in the Antarctic, and midlatitude Southern Hemisphere.

  1. Sensitivity of Urban Photochemical Models to Upper Wind Measurements

    NASA Astrophysics Data System (ADS)

    Al-Wali, Khalid Ibrahim

    1995-01-01

    The 1992 Atlanta Field Intensive of the Southern Oxidants Research Program on Ozone Non-Attainment (SORP -ONA) provided a unique data set of urban meteorological measurements. The data were used to investigate the sensitivity of photochemical model results to the spatial and temporal resolution of upper-air meteorological measurements. Root Mean Square Differences (RMSD) and average absolute deviations for winds and model calculated rm NO_ {y} and rm O_3 values were computed for a variety of measurement strategies which differed in the spatial and temporal resolution of the upper-air data. A Lagrangian particle dispersion model (LPDM) was used to study the movement of the plumes from the Atlanta urban core and an elevated power plant located northwest of Atlanta. Scenarios with different sets of wind measurements were performed. The results show that placement of upper-air measurements at or near the center of emissions density should be highest priority of field measurements campaigns. A prognostic model, the Regional Atmospheric Modeling System (RAMS), was used to generate the three dimensional winds to run the UAM. Results from the UAM runs also support the conclusion that upper-air measurements at or near the center of emissions density should be highest priority of field measurements campaigns. A number of Large Eddy Simulations (LES) were performed for urban forested and unforested areas with different soil moisture to examine the extent of the thermals that represent the height of the mixed layer. Results from the LES runs show that simulations with dry soil produce higher sensible heat flux and stronger thermals with a deeper mixed layer than simulations with moister soil. LES runs also showed that sensible heat fluxes, vertical motion, and mixing is weaker over forested areas compared to over urban areas. Three methods were used to calculate the height of the convective mixed layer. Differences of up to 200 m were found between the three methods.

  2. Photochemical model for NH3 in an early Martian atmosphere

    NASA Technical Reports Server (NTRS)

    Brown, L. L.; Kasting, J. F.

    1992-01-01

    A warm and wet climate scenario for early Mars has been explained by invoking a 5-bar CO2 atmosphere; however, Kasting has shown that CO2 will condense in the Martian atmosphere at these pressures. The formation of CO2 clouds will reduce the convection lapse rate and reduce the magnitude of the greenhouse effect. It is possible that additional greenhouse gases such as methane and ammonia were present in the early Mars atmosphere. We are using a one dimensional photochemical model to estimate the magnitude of the ammonia source required to maintain a given ammonia concentration in a dense CO2 atmosphere. Because CO2 is 2.5 times more efficient at Rayleigh scattering than Earth's N2 atmosphere, we anticipate increased scattering opacities and decreased photolytic destruction rates of ammonia on early Mars. The reduced gravity on Mars means that a 1 bar atmosphere will be approximately 3 times as thick as on Earth. It is possible that ammonia could have been shielded from photolysis by hydrocarbon aerosols which form as a product of methane photolysis.

  3. 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.

  4. 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.

  5. 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 ...

  6. 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.

  7. 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.

  8. 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.

  9. 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).

  10. 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. PMID:26555250

  11. GaAs solar cell photoresponse modeling using PC-1D V2.1

    NASA Technical Reports Server (NTRS)

    Huber, D. A.; Olsen, L. C.; Dunham, G.; Addis, F. W.

    1991-01-01

    Photoresponse data of high efficiency GaAs solar cells were analyzed using PC-1D V2.1. The approach required to use PC-1D for photoresponse data analysis, and the physical insights gained from performing the analysis are discussed. In particular, the effect of Al(x)Ga(1-x)As heteroface quality was modeled. Photoresponse or spectral quantum efficiency is an important tool in characterizing material quality and predicting cell performance. The strength of the photoresponse measurement lies in the ability to precisely fit the experimental data with a physical model. PC-1D provides a flexible platform for calculations based on these physical models.

  12. 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

  13. 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.

  14. 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.

  15. Modeling blood flow circulation in intracranial arterial networks: a comparative 3D/1D simulation study.

    PubMed

    Grinberg, L; Cheever, E; Anor, T; Madsen, J R; Karniadakis, G E

    2011-01-01

    We compare results from numerical simulations of pulsatile blood flow in two patient-specific intracranial arterial networks using one-dimensional (1D) and three-dimensional (3D) models. Specifically, we focus on the pressure and flowrate distribution at different segments of the network computed by the two models. Results obtained with 1D and 3D models with rigid walls show good agreement in massflow distribution at tens of arterial junctions and also in pressure drop along the arteries. The 3D simulations with the rigid walls predict higher amplitude of the flowrate and pressure temporal oscillations than the 1D simulations with compliant walls at various segments even for small time-variations in the arterial cross-sectional areas. Sensitivity of the flow and pressure with respect to variation in the elasticity parameters is investigated with the 1D model. PMID:20661645

  16. 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.

  17. Two-loop effective action of O(N) spin models in 1/D expansion

    NASA Astrophysics Data System (ADS)

    Matsui, T.; Kleinert, H.; Ami, S.

    1984-08-01

    We calculate the two-loop effective action of O(N) spin models on the lattice in a 1/D expansion to order 1/D2. The resulting free energy depends on β = 1/T and the order parameter Φ. It matches the high and low temperature regimes and is quite reliable close to the phase transition where it has a simple Landau expansion.

  18. REGIONAL SCALE (1000 KM) MODEL OF PHOTOCHEMICAL AIR POLLUTION. PART 1. THEORETICAL FORMULATION

    EPA Science Inventory

    A theoretical framework for a multi-day 1000 km scale simulation model of photochemical oxidant is developed. It is structured in a highly modular form so that eventually the model can be applied through straightforward modifications to simulations of particulates, visibility and...

  19. 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...

  20. 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.

  1. Deconvolution of Complex 1D NMR Spectra Using Objective Model Selection.

    PubMed

    Hughes, Travis S; Wilson, Henry D; de Vera, Ian Mitchelle S; Kojetin, Douglas J

    2015-01-01

    Fluorine (19F) NMR has emerged as a useful tool for characterization of slow dynamics in 19F-labeled proteins. One-dimensional (1D) 19F NMR spectra of proteins can be broad, irregular and complex, due to exchange of probe nuclei between distinct electrostatic environments; and therefore cannot be deconvoluted and analyzed in an objective way using currently available software. We have developed a Python-based deconvolution program, decon1d, which uses Bayesian information criteria (BIC) to objectively determine which model (number of peaks) would most likely produce the experimentally obtained data. The method also allows for fitting of intermediate exchange spectra, which is not supported by current software in the absence of a specific kinetic model. In current methods, determination of the deconvolution model best supported by the data is done manually through comparison of residual error values, which can be time consuming and requires model selection by the user. In contrast, the BIC method used by decond1d provides a quantitative method for model comparison that penalizes for model complexity helping to prevent over-fitting of the data and allows identification of the most parsimonious model. The decon1d program is freely available as a downloadable Python script at the project website (https://github.com/hughests/decon1d/). PMID:26241959

  2. 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

  3. 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...

  4. 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 ...

  5. 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.

  6. MODELING OF SIMULATED PHOTOCHEMICAL SMOG WITH KINETIC MECHANISMS. VOLUME 1. INTERIM REPORT

    EPA Science Inventory

    Computer modeling of smog chamber data is discussed in three parts. First, a series of detailed chemical mechanisms were developed to describe the photochemical formation of ozone from nitrogen oxides and the following organic compounds (alone and in various combinations): formal...

  7. MODELING OF SIMULATED PHOTOCHEMICAL SMOG WITH KINETIC MECHANISMS. VOLUME 2. INTERIM REPORT APPENDIX

    EPA Science Inventory

    Computer modeling of smog chamber data is discussed in three parts. First, a series of detailed chemical mechanisms were developed to describe the photochemical formation of ozone from nitrogen oxides and the following organic compounds (alone and in various combinations): formal...

  8. FINAL EVALUATION OF URBAN-SCALE PHOTOCHEMICAL AIR QUALITY SIMULATION MODELS

    EPA Science Inventory

    The research study discussed here is a continuation of previous work whose goal was to determine the accuracy of several selected urban photochemical air quality simulation models using data from the Regional Air Pollution Study in St. Louis. This work reports on the testing of t...

  9. MODELING OF SIMULATED PHOTOCHEMICAL SMOG WITH KINETIC MECHANISMS. VOLUME 1. FINAL REPORT

    EPA Science Inventory

    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 ...

  10. 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

  11. 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

  12. HYDRUS-1D Modeling of an Irrigated Agricultural Plot with Application to Aquifer Recharge Estimation

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A variety of methods are available for estimating aquifer recharge in semi-arid regions, each with advantages and disadvantages. We are investigating a procedure for estimating recharge in an irrigated basin. The method involves computing irrigation return flows based on HYDRUS-1D modeling of root z...

  13. Minimum 1D P- and S- Velocity Models for Montenegro and Vicinity

    NASA Astrophysics Data System (ADS)

    Vucic, Ljiljana; Kissling, Edi; Spakman, Wim; Glavatovic, Branislav

    2015-04-01

    The territory of Montenegro and its vicinity are characterized by high-seismicity rate and very complex tectonics. Namely, southern Adria microplate subducts beneath Eurasia, forming the Dinarides fold-and-thrust belt which spreads through whole Montenegro and the western Balkans. Present-day lithosphere structure of the Adria-Dinarides collision zone in general is not constrained very well and, consequently, there is a lack of three-dimensional (3D) velocity models in this region. For these reasons, high resolution 3D tomography modeling of this area is considered to be of great importance. As part of preparatory phase for conducting a 3D local earthquake tomography study, a substantial amount of waveform data was collected, from all surroundings national seismic networks including 130 seismic stations from 11 countries. The data set comprises waveforms from 1452 earthquakes in the region recorded during time period 1990 - 2014. The collected data were obtained in different formats and the data base was harmonized by converting and integrating all data to miniseed format. The potential resolution of collected data for seismic tomography purpose was analyzed by ray density testing, using specially developed software for this specific purpose. The result is expressed as the number of rays between selected group of earthquake hypocenters and seismic stations, penetrating through the 3D model of the Earth crust and it documents the great potential of the data set for 3D seismic tomography. As a prerequisite to 3D tomography and for consistent high-precision earthquake locations, a minimum 1D velocity model has been calculated. The data set of around 400 earthquakes was selected from the main database and consistent wave onsets picking was performed, including seismic phase interpretation and its quality assessment. This highly consistent travel time data set is used for calculation of 1D velocity models for the region under study. The minimum 1D models were derived

  14. 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.

  15. 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. PMID:26410700

  16. 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

  17. Development and Application of a Process Analysis Method for Photochemical Oxidant Models

    NASA Astrophysics Data System (ADS)

    Tonnesen, Shawn

    1995-01-01

    The U.S. Environmental Protection Agency's ozone control strategy requires that numerical air quality models be used to simulate photochemical and physical processes effecting ozone concentrations and to predict the level of control of hydrocarbons or nitrogen oxides required to attain the ozone standard. Large uncertainties exist, however, in the application of air quality models. The failure to attain ozone standards may in part be attributed to uncertainties and errors in ozone modeling. The goal of this work has been to develop an analysis method that can be used to understand and explain model predictions, thereby reducing errors and uncertainty in air quality modeling. I have developed a process analysis method which explains model predictions by performing a mass balance on the individual photochemical reactions and other physical processes which effect trace species concentrations. This method first requires minor modifications to existing air quality models to produce output files containing the integrated rates, or mass throughputs, of each reaction and each of the other physical processes. I have written a post-processing program which reads the integrated rate files and produces a series of tables which explain the model predictions. These tables summarize the production, propagation and termination of radical species, the mass of hydrocarbons and nitrogen oxides reacted, yields of ozone and odd oxygen per hydrocarbon reacted, and complete mass balances on important species. The process analysis method is summarized below and described in a series of four published papers and one submitted manuscript which apply the method to current issues in air quality modeling. These issues include: comparisons of photochemical reaction mechanisms; a study of the contribution of carbon monoxide, methane and biogenic hydrocarbons to ozone production; an analysis of hydrocarbon incremental reactivity; and applications to photochemical grid models. The papers

  18. 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.

  19. Coupled 1D-3D hydrodynamic modelling, with application to the Pearl River Delta

    NASA Astrophysics Data System (ADS)

    Twigt, Daniel J.; de Goede, Erik D.; Zijl, Firmijn; Schwanenberg, Dirk; Chiu, Alex Y. W.

    2009-12-01

    Within the hydrodynamic modelling community, it is common practice to apply different modelling systems for coastal waters and river systems. Whereas for coastal waters 3D finite difference or finite element grids are commonly used, river systems are generally modelled using 1D networks. Each of these systems is tailored towards specific applications. Three-dimensional coastal water models are designed to model the horizontal and vertical variability in coastal waters and are less well suited for representing the complex geometry and cross-sectional areas of river networks. On the other hand, 1D river network models are designed to accurately represent complex river network geometries and complex structures like weirs, barrages and dams. A disadvantage, however, is that they are unable to resolve complex spatial flow variability. In real life, however, coastal oceans and rivers interact. In deltaic estuaries, both tidal intrusion of seawater into the upstream river network and river discharge into open waters play a role. This is frequently approached by modelling the systems independently, with off-line coupling of the lateral boundary forcing. This implies that the river and the coastal model run sequentially, providing lateral discharge (1D) and water level (3D) forcing to each other without the possibility of direct feedback or interaction between these processes. An additional disadvantage is that due to the time aggregation usually applied to exchanged quantities, mass conservation is difficult to ensure. In this paper, we propose an approach that couples a 3D hydrodynamic modelling system for coastal waters (Delft3D) with a 1D modelling system for river hydraulics (SOBEK) online. This implies that contrary to off-line coupling, the hydrodynamic quantities are exchanged between the 1D and 3D domains during runtime to resolve the real-time exchange and interaction between the coastal waters and river network. This allows for accurate and mass conserving

  20. 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.

  1. 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.

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

    NASA Astrophysics Data System (ADS)

    Semenov, A. N.

    2015-07-01

    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.

  3. 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

  4. SILVA: EDF two-phase 1D annular model of a CFB boiler furnace

    SciTech Connect

    Montat, D.; Fauquet, P.; Lafanechere, L.; Bursi, J.M.

    1997-12-31

    Aiming to improve its knowledge of CFB boilers, EDF has initiated a R and D program including: laboratory work on mock-ups, numerical modelling and on-site tests in CFB power plants. One of the objectives of this program is the development of a comprehensive steady-state 1D model of the solid circulation loop, named SILVA, for plant operation and design evaluation purposes. This paper describes its mathematical and physical modelling. Promising validation of the model on cold mock-up and industrial CFB is presented.

  5. 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.

  6. 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

  7. Box model and 1D longitudinal model of flow and transport in Bosten Lake, China

    NASA Astrophysics Data System (ADS)

    Li, Ning; Kinzelbach, Wolfgang; Li, WenPeng; Dong, XinGuang

    2015-05-01

    Bosten Lake in the southeast of Yanqi Catchment, China, supports the downstream agricultural and natural environments. Over the last few decades the intensive agricultural activities in Yanqi Catchment resulted in decreased lake levels and deteriorated lake water quality. A two-box model is constructed to understand the evolution of lake level and salinity between 1958 and 2008. The two-box model of the lake indicates that the evaporation does have the same trend as the observed lake area and the annual average evaporation agrees with the value obtained from the Penman-Monteith approach. To achieve a correct salt balance, the ratio of outflow concentration and average lake concentration has to be around 0.7. This is due to the incomplete mixing of the lake caused by short-circuiting between tributary inflow and the main outflow via the pump stations abstracting water from the lake. This short-circuiting is investigated in more detail by a 1D numerical flow and transport model of the lake calibrated with observations of lake level and lake concentrations. The distributed model reproduces the correct time-varying outflow concentration. It is used for the assessment of two basic management options: increasing river discharge (by water saving irrigation, reduction of phreatic evaporation or reduction of agricultural area) and diverting saline drainage water to the desert. Increasing river discharge to the lake by 20% reduces the east basin salt concentration by 0.55 kg/m3, while capturing all the drainage water and discharging it to depressions instead of the lake reduces the east basin salt concentration by 0.63 kg/m3. A combination of increasing river inflow and decreasing drainage salt flux is sufficient to bring future lake TDS below the required 1 kg/m3, to keep a lake level that sustains the lake ecosystem, and to supply more water for downstream development and ecosystem rehabilitation.

  8. 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.

  9. Verification and comparison of four numerical schemes for a 1D viscoelastic blood flow model.

    PubMed

    Wang, Xiaofei; Fullana, Jose-Maria; Lagrée, Pierre-Yves

    2015-01-01

    A reliable and fast numerical scheme is crucial for the 1D simulation of blood flow in compliant vessels. In this paper, a 1D blood flow model is incorporated with a Kelvin-Voigt viscoelastic arterial wall. This leads to a nonlinear hyperbolic-parabolic system, which is then solved with four numerical schemes, namely: MacCormack, Taylor-Galerkin, monotonic upwind scheme for conservation law and local discontinuous Galerkin. The numerical schemes are tested on a single vessel, a simple bifurcation and a network with 55 arteries. The numerical solutions are checked favorably against analytical, semi-analytical solutions or clinical observations. Among the numerical schemes, comparisons are made in four important aspects: accuracy, ability to capture shock-like phenomena, computational speed and implementation complexity. The suitable conditions for the application of each scheme are discussed. PMID:25145651

  10. 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

  11. Evaluation of 2 1-D cloud models for the analysis of VAS soundings

    NASA Technical Reports Server (NTRS)

    Emmitt, G. D.

    1984-01-01

    Evaluation of the satellite Visual Infrared Spin Scan Radiometer Atmospheric Sounder (VISSR) has begun to document several of its critical shortcomings as far as numerical cloud models are concerned: excessive smoothing of thermal inversions; imprecise measurement of boundary layer moisture; and tendency to exaggerate atmospheric stability. The sensitivity of 1-D cloud models to their required inputs is stressed with special attention to those parameters obtained from atmospheric soundings taken by the VAS or rawinsonde. In addition to performing model experiments using temperature and moisture profiles having the general characteristics of VAS soundings, standard input sensitivity tests were made and 1-D model performance was compared with observations and the results of a 2-D model experiment using AVE/VAS data (Atmospheric Variability Experiment). Although very encouraging, the results are not sufficient to make any specific conclusions. In general, the VAS soundings are likely to be inadequate to provide the cloud base (and subcloud layer) information needed for inputs to current cumulus models. Above cloud base, the tendency to exaggerate the stability of the atmosphere requires solution before meaningful model experiments are run.

  12. 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.

  13. 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.

  14. A 1-D model study of Arctic sea-ice salinity

    NASA Astrophysics Data System (ADS)

    Griewank, P. J.; Notz, D.

    2014-03-01

    We use a 1-D model to study how salinity evolves in Arctic sea ice. To do so, we first explore how sea-ice surface melt and flooding can be incorporated into the 1-D thermodynamic SAMSIM sea-ice model presented by Griewank and Notz (2013). We introduce flooding and a flushing parametrization which treats sea ice as a hydraulic network of horizontal and vertical fluxes. Forcing SAMSIM with 36 years of ERA-interim atmospheric reanalysis data, we obtain a modeled Arctic sea-ice salinity that agrees well with ice-core measurements. The simulations hence allow us to identify the main drivers of the observed mean salinity profile in Arctic sea ice. Our results show a 1.5-4 g kg-1 decrease of bulk salinity via gravity drainage after ice growth has ceased and before flushing sets in, which hinders approximating bulk salinity from ice thickness beyond the first growth season. In our simulations, salinity variability of first-year ice is mostly restricted to the top 20 cm. We find that ice thickness, thermal resistivity, freshwater column, and stored energy change by less than 5% on average when the full salinity parametrization is replaced with a prescribed salinity profile. We conclude that for earth system models the impact of fully parametrizing the Arctic temporal salinity evolution is too small to justify the increase in computational cost and model complexity.

  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.

    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

  16. Lagrangian photochemical modeling studies of the 1987 Antarctic spring vortex. I - Comparison with AAOE observations

    NASA Technical Reports Server (NTRS)

    Jones, R. L.; Austin, J.; Mckenna, D. S.; Anderson, J. G.; Fahey, D. W.; Farmer, C. B.; Vedder, J. F.

    1989-01-01

    Results from the Lagrangian photochemical model integrated along computed air parcel trajectories intersected by the ER-2 aircraft are presented and compared with AAOE observations. According to the model, the BrO observations made from the ER-2 within the dehydrated denitrified region are consistent with there being approximately 5 parts per trillion by volume of BrO(y) at 428 K in spring. Within the high ClO region, ozone destruction rates are expected to exceed 2 percent/d with approximately 80 percent due to the ClO dimer mechanism.

  17. Compilation and evaluation of a Paso del Norte emission inventory for use in photochemical dispersion modeling

    SciTech Connect

    Haste, T.L.; Kumar, N.; Chinkin, L.R.; Roberts, P.T.; Saeger, M.; Mulligan, S.; Yarbrough, J.

    1999-07-01

    Emission inventories are routinely used for planning purposes and as input to comprehensive photochemical air quality models. Photochemical model performance and the development of an effective control strategy are predicated on the accuracy of an underlying emission inventory. The purpose of this study was to compile an ozone precursor emission inventory for the El Paso/Ciudad Juarez/Southern Dona Ana region; generate a spatially and temporally resolved, speciated emission inventory; and evaluate the accuracy and representativeness of the inventory. Existing point, area, and mobile source emissions data were obtained from local government agencies. Emissions were spatially and temporally allocated to a gridded domain using region-specific demographic and land cover information. The inventory was processed using the US Environmental Protection Agency (EPA) recommended Urban Airshed Model Emissions Preprocessor System 2.0 (UAM-EPS 2.0) which generates emissions files that can be directly used as input to the Urban Airshed Model. An evaluation of the emission inventory was then performed by comparing inventory non-methane hydrocarbon (NMHC)/NO{sub x} and CO/NO{sub x} ratios to ambient ratios using air quality data collected during the 1996 Paso del Norte Ozone Study. Detailed NMHC species comparisons were also made in order to investigate the relative composition of individual hydrocarbon species in the emission inventory and in the ambient data. This initial emission inventory is expected to undergo substantial revisions during the upcoming photochemical modeling phase of the effort to better understand and improve the air quality of the El Paso/Ciudad Juarez/Southern Dona Ana region.

  18. Periodic solutions for a 1D-model with nonlocal velocity via mass transport

    NASA Astrophysics Data System (ADS)

    Ferreira, Lucas C. F.; Valencia-Guevara, Julio C.

    2016-05-01

    This paper concerns periodic solutions for a 1D-model with nonlocal velocity given by the periodic Hilbert transform. There is a rich literature showing, via numerics and rigorous analysis, that this model presents singular behavior of solutions. For instance, they can blow up by forming mass-concentration. We develop a global well-posedness theory for periodic measure initial data that allows, in particular, to analyze how the model evolves from those singularities. Our results are based on periodic mass transport theory and the abstract gradient flow theory in metric spaces developed by Ambrosio et al. (2005). A viscous version of the model is also analyzed and inviscid limit properties are obtained.

  19. Adjoint sensitivity analysis for a three-dimensional photochemical model: implementation and method comparison.

    PubMed

    Martien, Philip T; Harley, Robert A; Cacuci, Dan G

    2006-04-15

    Photochemical air pollution forms when emissions of nitrogen oxides (NO(x)) and volatile organic compounds (VOC) react in the atmosphere in the presence of sunlight. The goal of applying three-dimensional photochemical air quality models is usually to conduct sensitivity analysis: for example, to predict changes in an ozone response due to changes in NO(x) and VOC emissions or other model data. Forward sensitivity analysis methods are best suited to investigating sensitivities of many model responses to changes in a few inputs or parameters. Here we develop a continuous adjoint model and demonstrate an adjoint sensitivity analysis procedure that is well-suited to the complementary case of determining sensitivity of a small number of model responses to many parameters. Sensitivities generated using the adjoint method agree with those generated using other methods. Compared to the forward method, the adjoint method had large disk storage requirements but was more efficient in terms of computer processor time for receptor-based investigations focused on a single response at a specified site and time. The adjoint method also generates sensitivity apportionment fields, which reveal when and where model data are important to the target response. PMID:16683606

  20. 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.

  1. 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

  2. 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.

  3. 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...

  4. Lagrangian photochemical modeling studies of the 1987 Antarctic spring vortex. II - Seasonal trends in ozone

    NASA Technical Reports Server (NTRS)

    Austin, J.; Jones, R. L.; Mckenna, D. S.; Buckland, A. T.; Anderson, J. G.; Fahey, D. W.; Farmer, C. B.; Heidt, L. E.; Proffitt, M. H.; Vedder, J. F.

    1989-01-01

    A photochemical model consisting of 40 species and 107 reactions is integrated along 80-day air parcel trajectories calculated in the lower stratosphere for the springtime Antarctic. For the trajectory starting at 58 deg S, which may be regarded as outside the circumpolar vortex, only a small change in O3 occurs in the model. In contrast, for the air parcel starting in the vortex at 74 deg S, the O3 concentration is reduced by 93 percent during the 80 days from the beginning of August to late October. The model results for several species are compared with measurements from the Airborne Antarctic Ozone Experiment and, in general, good agreement is obtained. In the model, the dentrification of the air parcels in polar stratospheric clouds increases the amount of chlorine present in active form. Heterogeneous reactions maintain high active chlorine which destroys O3 via the formation of the ClO dimer. Results of calculations with reduced concentrations of inorganic chlorine show considerably reduced O3 destruction rates and compare favorably with the behavior of total O3 since the late 1970s. The remaining major uncertainties in the photochemical aspects of the Antarctic ozone hole are highlighted.

  5. Aspects of the comparison of stratospheric trace species measurements with photochemical models

    SciTech Connect

    Connell, P.S.; Wuebbles, D.J.

    1984-08-01

    Observation and measurement of reservoir species, including H/sub 2/O/sub 2/, ClONO/sub 2/, HNO/sub 4/, HOCl, N/sub 2/O/sub 5/ and others, can potentially test some portions of photochemical models of the stratosphere, leading to improvements and increased confidence in model predictions. But abundance measurements of a single reservoir species without accompanying values for other species do not serve, in most cases, to constrain the related model mechanism and parameters within the recognized uncertainties. This follows from the sensitivity of abundance of a species to fluctuations in its long-lived precursors from transport processes. A better test of theory would be provided by correlation studies in which precursor concentrations and photolytic fluxes are measured simultaneously and in the same air volume as the reservoir species. Three recent reported differing observations or upper limits for H/sub 2/O/sub 2/ give an example of the difficulties. All three reported values could be nearly consistent with the current LLNL one-dimensional stratospheric photochemical model, depending on the values of O/sub 3/, NO/sub x/ and H/sub 2/O appropriate to each measurement. The important precursors in each case can be identified by consideration of the appropriate kinetics and observed precursor variability. 10 references, 3 figures, 1 table.

  6. 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.

  7. 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

  8. 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.

  9. 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

  10. 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.

  11. 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

  12. Photochemical instability of the ancient Martian atmosphere

    NASA Astrophysics Data System (ADS)

    Zahnle, Kevin; Haberle, Robert M.; Catling, David C.; Kasting, James F.

    2008-11-01

    We develop a 1-D steady state photochemical model of the modern Martian atmosphere and apply it to possible Martian atmospheres present and past. A unique feature of our model is that the major current sink of oxygen is dry deposition (surface reactions) of highly reactive, oxidized molecules (chiefly H2O2), rather than oxygen escape to space. Another difference is that we allow hydrogen to escape to space at the diffusion limit, which gives H escape fluxes ~70% higher than in other models. What results is a model with one free parameter: a dry deposition velocity to describe the surface sink of reactive molecules. An effective global average deposition velocity of 0.02 cm s-1 for H2O2 and O3 gives a good match to the observed abundances of O2, CO, and H2, the three abundant photochemical trace gases. We then apply our model to Martian atmospheres with different amounts of CO2, H2O, and solar forcing. We find that thick, cold, dry CO2 atmospheres are photochemically unstable with respect to conversion to CO. This may be pertinent to ancient Mars when the Sun was faint and O escape rates were likely high, for which the tipping point is computed to be ~10 mbar of CO2. The possible photochemical instability of cold thick CO2 atmospheres, and the high likelihood that CO was abundant even if CO2 were stable, has broad implications for early Mars.

  13. Nanoelectronic Modeling (NEMO): Moving from commercial grade 1-D simulation to prototype 3-D simulation

    NASA Astrophysics Data System (ADS)

    Klimeck, Gerhard

    2001-03-01

    The quantum mechanical functionality of commercially pursued heterostructure devices such as resonant tunneling diodes (RTDs), quantum well infrared photodetectors, and quantum well lasers are enabled by material variations on an atomic scale. The creation of these heterostructure devices is realized in a vast design space of material compositions, layer thicknesses and doping profiles. The full experimental exploration of this design space is unfeasible and a reliable design tool is needed. The Nanoelectronic Modeling tool (NEMO) is one of the first commercial grade attempts for such a modeling tool. NEMO was developed as a general-purpose quantum mechanics-based 1-D device design and analysis tool from 1993-97 by the Central Research Laboratory of Texas Instruments (later Raytheon Systems). NEMO enables(R. Lake, G. Klimeck, R. C. Bowen, and D. Jovanovic, J. Appl. Phys. 81), 7845 (1997). the fundamentally sound inclusion of the required(G. Klimeck et al.), in the 1997 55th Annual Device Research Conference Digest, (IEEE, NJ, 1997), p. 92^,(R. C. Bowen et al.), J. Appl. Phys 81, 3207 (1997). physics: bandstructure, scattering, and charge self-consistency based on the non-equilibrium Green function approach. A new class of devices which require full 3-D quantum mechanics based models is starting to emerge: quantum dots, or in general semiconductor based deca-nano devices. We are currently building a 3-D modeling tool based on NEMO to include the important physics to understand electronic stated in such superscaled structures. This presentation will overview various facets of the NEMO 1-D tool such electron transport physics in RTDs, numerical technology, software engineering and graphical user interface. The lessons learned from that work are now entering the NEMO 3-D development and first results using the NEMO 3-D prototype will be shown. More information about

  14. 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.

  15. Full Waveform 3D Synthetic Seismic Algorithm for 1D Layered Anelastic Models

    NASA Astrophysics Data System (ADS)

    Schwaiger, H. F.; Aldridge, D. F.; Haney, M. M.

    2007-12-01

    Numerical calculation of synthetic seismograms for 1D layered earth models remains a significant aspect of amplitude-offset investigations, surface wave studies, microseismic event location approaches, and reflection interpretation or inversion processes. Compared to 3D finite-difference algorithms, memory demand and execution time are greatly reduced, enabling rapid generation of seismic data within workstation or laptop computational environments. We have developed a frequency-wavenumber forward modeling algorithm adapted to realistic 1D geologic media, for the purpose of calculating seismograms accurately and efficiently. The earth model consists of N layers bounded by two halfspaces. Each layer/halfspace is a homogeneous and isotropic anelastic (attenuative and dispersive) solid, characterized by a rectangular relaxation spectrum of absorption mechanisms. Compressional and shear phase speeds and quality factors are specified at a particular reference frequency. Solution methodology involves 3D Fourier transforming the three coupled, second- order, integro-differential equations for particle displacements to the frequency-horizontal wavenumber domain. An analytic solution of the resulting ordinary differential system is obtained. Imposition of welded interface conditions (continuity of displacement and stress) at all interfaces, as well as radiation conditions in the two halfspaces, yields a system of 6(N+1) linear algebraic equations for the coefficients in the ODE solution. An optimized inverse 2D Fourier transform to the space domain gives the seismic wavefield on a horizontal plane. Finally, three-component seismograms are obtained by accumulating frequency spectra at designated receiver positions on this plane, followed by a 1D inverse FFT from angular frequency ω to time. Stress-free conditions may be applied at the top or bottom interfaces, and seismic waves are initiated by force or moment density sources. Examples reveal that including attenuation

  16. 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.

  17. 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

  18. Uniform Contractivity in Wasserstein Metric for the Original 1D Kac's Model

    NASA Astrophysics Data System (ADS)

    Hauray, Maxime

    2016-03-01

    We study here a very popular 1D jump model introduced by Kac: it consists of N velocities encountering random binary collisions at which they randomly exchange energy. We show the uniform (in N) exponential contractivity of the dynamics in a non-standard Monge-Kantorovich-Wasserstein: precisely the MKW metric of order 2 on the energy. The result is optimal in the sense that for each N, the contractivity constant is equal to the L^2 spectral gap of the generator associated to Kac's dynamic. As a corollary, we get an uniform but non optimal contractivity in the MKW metric of order 4. We use a simple coupling that works better that the parallel one. The estimates are simple and new (to the best of our knowledge).

  19. Initial Stage of the Microwave Ionization Wave Within a 1D Model

    NASA Astrophysics Data System (ADS)

    Semenov, V. E.; Rakova, E. I.; Glyavin, M. Yu.; Nusinovich, G. S.

    2016-06-01

    The dynamics of the microwave breakdown in a gas is simulated numerically within a simple 1D model which takes into account such processes as the impact ionization of gas molecules, the attachment of electrons to neutral molecules, and plasma diffusion. Calculations are carried out for different spatial distributions of seed electrons with account for reflection of the incident electromagnetic wave from the plasma. The results reveal considerable dependence of the ionization wave evolution on the relation between the field frequency and gas pressure, as well as on the existence of extended rarefied halo of seed electrons. At relatively low gas pressures (or high field frequencies), the breakdown process is accompanied by the stationary ionization wave moving towards the incident electromagnetic wave. In the case of a high gas pressure (or a relatively low field frequency), the peculiarities of the breakdown are associated with the formation of repetitive jumps of the ionization front.

  20. HELIOS-CR A 1-D radiation-magnetohydrodynamics code with inline atomic kinetics modeling

    NASA Astrophysics Data System (ADS)

    Macfarlane, J. J.; Golovkin, I. E.; Woodruff, P. R.

    2006-05-01

    HELIOS-CR is a user-oriented 1D radiation-magnetohydrodynamics code to simulate the dynamic evolution of laser-produced plasmas and z-pinch plasmas. It includes an in-line collisional-radiative (CR) model for computing non-LTE atomic level populations at each time step of the hydrodynamics simulation. HELIOS-CR has been designed for ease of use, and is well-suited for experimentalists, as well as graduate and undergraduate student researchers. The energy equations employed include models for laser energy deposition, radiation from external sources, and high-current discharges. Radiative transport can be calculated using either a multi-frequency flux-limited diffusion model, or a multi-frequency, multi-angle short characteristics model. HELIOS-CR supports the use of SESAME equation of state (EOS) tables, PROPACEOS EOS/multi-group opacity data tables, and non-LTE plasma properties computed using the inline CR modeling. Time-, space-, and frequency-dependent results from HELIOS-CR calculations are readily displayed with the HydroPLOT graphics tool. In addition, the results of HELIOS simulations can be post-processed using the SPECT3D Imaging and Spectral Analysis Suite to generate images and spectra that can be directly compared with experimental measurements. The HELIOS-CR package runs on Windows, Linux, and Mac OSX platforms, and includes online documentation. We will discuss the major features of HELIOS-CR, and present example results from simulations.

  1. 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

  2. Titan's photochemical model: Further update, oxygen species, and comparison with Triton and Pluto

    NASA Astrophysics Data System (ADS)

    Krasnopolsky, Vladimir A.

    2012-12-01

    My photochemical model for Titan's atmosphere and ionosphere is improved using the Troe approximation for termolecular reactions and inclusion of four radiative association reactions from those calculated by Vuitton et al. (2012). Proper fitting of eddy diffusion results in a reduction of the mean difference between 63 observed mixing ratios and their calculated values from a factor of 5 in my previous models for Titan to a factor of 3 in the current model. Oxygen chemistry on Titan is initiated by influxes of H2O from meteorites and O+ from magnetospheric interactions with the Saturn rings and Enceladus. Two versions of the model were calculated, with and without the O+ flux. Balances of CO, CO2, H2O, and H2CO are discussed in detail for both versions. The calculated model with the O+ flux agrees with the observations of CO, CO2, and H2O, including recent H2O CIRS limb observations and measurements by the Herschel Space Observatory. Major observational data and photochemical models for Triton and Pluto are briefly discussed. While the basic atmospheric species N2, CH4, and CO are similar on Triton and Pluto, properties of their atmospheres are very different with atomic species and ions dominating in Triton's upper atmosphere and ionosphere opposed to the molecular composition on Pluto. Calculations favor a transition between two types of photochemistry at the CH4 mixing ratio of ∼5×10-4. Therefore Triton's current photochemistry is still similar to that at the Voyager flyby despite the observed increase in N2 and CH4. The meteorite H2O results in precipitation of CO on Triton and CO2 on Pluto near perihelion.

  3. 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

  4. 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.

  5. 1D Chemical Modeling of coupled snow-atmosphere chemistry at Dome C Antarctica

    NASA Astrophysics Data System (ADS)

    Gil, Jaime E.; Thomas, Jennie; von Glasgow, Roland; Bekki, Slimane; Kukui, Alexandre; Frey, Markus; Jourdain, Bruno; Kerbrat, Michel; Genthon, Christophe; Preuknert, Susanne; Legrand, Michel

    2013-04-01

    High levels of nitrogen oxides NOx (NOx=NO+NO2) generated by the photolysis of nitrate present in surface snow profoundly impact atmospheric composition and oxidizing capacity in the Antarctic boundary layer. In particular, NOx emissions from sunlit snow increase OH values by effectively recycling HO2 to OH. In order to better characterize this chemistry the OPALE campaign was conducted in December 2011/January 2012 at Dome C, Antarctica (altitude of 3,233 meters, 75 ° S, 123 ° E). The campaign included boundary layer profiling, measurements of the physical properties of snow, as well as a comprehensive suite of atmospheric chemistry measurements (including NOx, HONO, OH and RO2, H2O2, CH2O, O3). We present results using the 1-D coupled snow-boundary layer model MISTRA-SNOW in combination with observations made during the measurement campaign to understand this chemistry. The model includes both chemistry at the surface of snow grains (aqueous chemistry), in firn air (gas phase chemistry), and gas/aerosol chemistry in the boundary layer. Model predictions of NOx mixing ratios using a model sensitivity analysis approach are presented. The model was initialized using measured snow properties, including temperature, density, and snow grain size. In addition, the model dynamics are driven using the measured surface temperature at Dome C. To calculate the rate of snowpack ventilation, measured wind speeds during the campaign were used. The model was run varying the amount of nitrate and bromide available for reaction at the surface of snow grains and results are compared to measurements made in the atmospheric boundary from 2-4 January 2012. We test the hypothesis that very low concentrations of bromine may alter the ratio of NO/NO2. We also investigate the influence of NOx emissions from snow, and bromine (if present), on OH concentrations in the boundary layer on the Antarctic plateau.

  6. ESTIMATION OF EMISSION ADJUSTMENTS FROM THE APPLICATION OF FOUR-DIMENSIONAL DATA ASSIMILATION TO PHOTOCHEMICAL AIR QUALITY MODELING. (R826372)

    EPA Science Inventory

    Four-dimensional data assimilation applied to photochemical air quality modeling is used to suggest adjustments to the emissions inventory of the Atlanta, Georgia metropolitan area. In this approach, a three-dimensional air quality model, coupled with direct sensitivity analys...

  7. COMBINED EFFECTS OF ORGANIC REACTIVITY AND NMHC/NOX RATIO ON PHOTOCHEMICAL OXIDANT FORMATION - A MODELING STUDY

    EPA Science Inventory

    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 (NO sub x) mi...

  8. 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.

  9. 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.

  10. 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.

  11. Topological order in 1D super-lattice Bose-Hubbard models

    NASA Astrophysics Data System (ADS)

    Fleischhauer, Michael; Grusdt, Fabian; Hoening, Michael

    2013-05-01

    After the discovery of topological insulators as a new state of matter and their consequent classification for free fermions, the question arises what kind of topological order can be supported by incompressible systems of interacting bosons. We consider a 1D super-lattice Hamiltonian with a non-trivial band structure (the Su-Schrieffer-Heeger model) and show that its Mott-insulating (MI) states can be classified by a quantized many-body winding number. This quantization is protected by sub-lattice and time-reversal symmetries, and it allows the implementation of a quantized cyclic pumping process (Thouless pump) in a simple super-lattice Bose-Hubbard model (BHM). For extended BHMs we discuss a connection of such a pump with the fractional quantum Hall effect. Furthermore we show that the quantization of the winding number leads to localized, protected edge states at sharp interfaces between topologically distinct MI phases which can be experimentally realized using Bose-Fermi mixtures in optical superlattices. DMRG simulations show that these edge states manifest themself either in localized density maxima or localized density minima, which can easily be detected. Supported by research center OPTIMAS and graduate school MAINZ.

  12. 1D Tight-Binding Models Render Quantum First Passage Time "Speakable"

    NASA Astrophysics Data System (ADS)

    Ranjith, V.; Kumar, N.

    2015-12-01

    The calculation of First Passage Time (moreover, even its probability density in time) has so far been generally viewed as an ill-posed problem in the domain of quantum mechanics. The reasons can be summarily seen in the fact that the quantum probabilities in general do not satisfy the Kolmogorov sum rule: the probabilities for entering and non-entering of Feynman paths into a given region of space-time do not in general add up to unity, much owing to the interference of alternative paths. In the present work, it is pointed out that a special case exists (within quantum framework), in which, by design, there exists one and only one available path (i.e., door-way) to mediate the (first) passage -no alternative path to interfere with. Further, it is identified that a popular family of quantum systems - namely the 1d tight binding Hamiltonian systems - falls under this special category. For these model quantum systems, the first passage time distributions are obtained analytically by suitably applying a method originally devised for classical (stochastic) mechanics (by Schroedinger in 1915). This result is interesting especially given the fact that the tight binding models are extensively used in describing everyday phenomena in condense matter physics.

  13. 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

  14. 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

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

    NASA Astrophysics Data System (ADS)

    Kwok, R. H. F.; Baker, K. R.; Napelenok, S. L.; Tonnesen, G. S.

    2015-01-01

    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 models track sources through the physical and chemical processes important to the formation and transport of air pollutants. Photochemical model source apportionment has been used to track source impacts of specific sources, groups of sources (sectors), sources in specific geographic areas, and stratospheric and lateral boundary inflow on O3. The implementation and application of a source apportionment technique for O3 and its precursors, nitrogen oxides (NOx) and volatile organic compounds (VOCs), for the Community Multiscale Air Quality (CMAQ) model are described here. The Integrated Source Apportionment Method (ISAM) O3 approach is a hybrid of source apportionment and source sensitivity in that O3 production is attributed to precursor sources based on O3 formation regime (e.g., for a NOx-sensitive regime, O3 is apportioned to participating NOx emissions). This implementation is illustrated by tracking multiple emissions source sectors and lateral boundary inflow. NOx, VOC, and O3 attribution to tracked sectors in the application are consistent with spatial and temporal patterns of precursor emissions. The O3 ISAM implementation is further evaluated through comparisons of apportioned ambient concentrations and deposition amounts with those derived from brute force zero-out scenarios, with correlation coefficients ranging between 0.58 and 0.99 depending on specific combination of target species and tracked precursor emissions. Low correlation coefficients occur for chemical regimes that have strong nonlinearity in O3 sensitivity, which demonstrates different functionalities between source apportionment and zero-out approaches, where appropriate use depends on whether source attribution or

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

    NASA Astrophysics Data System (ADS)

    Kwok, R. H. F.; Baker, K. R.; Napelenok, S. L.; Tonnesen, G. S.

    2014-09-01

    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 models track sources through the physical and chemical processes important to the formation and transport of air pollutants. Photochemical model source apportionment has been used to estimate impacts of specific sources, groups of sources (sectors), sources in specific geographic areas, and stratospheric and lateral boundary inflow on O3. The implementation and application of a source apportionment technique for O3 and its precursors, nitrogen oxides (NOx) and volatile organic compounds (VOC), for the Community Multiscale Air Quality (CMAQ) model are described here. The Integrated Source Apportionment Method (ISAM) O3 approach is a hybrid of source apportionment and source sensitivity in that O3 production is attributed to precursor sources based on O3 formation regime (e.g., for a NOx-sensitive regime, O3 is apportioned to participating NOx emissions). This implementation is illustrated by tracking multiple emissions source sectors and lateral boundary inflow. NOx, VOC, and O3 attribution to tracked sectors in the application are consistent with spatial and temporal patterns of precursor emissions. The O3 ISAM implementation is further evaluated through comparisons of apportioned ambient concentrations and deposition amounts with those derived from brute force zero-out scenarios, with correlation coefficients ranging between 0.58 and 0.99 depending on specific combination of target species and tracked precursor emissions. Low correlation coefficients occur for chemical regimes that have strong non-linearity in O3 sensitivity, which demonstrates different functionalities between source apportionment and zero-out approaches, depending on whether sources of interest are either to be accounted

  17. Cenozoic ice volume and temperature simulations with a 1-D ice-sheet model

    NASA Astrophysics Data System (ADS)

    de Boer, B.; van de Wal, R. S. W.; Bintanja, R.; Lourens, L. J.; Tuenter, E.

    2009-04-01

    Ice volume and temperature for the past 35 Million years is investigated with a 1-D ice-sheet model, simulating ice-sheets on both hemispheres. The simulations include two continental Northern Hemisphere (NH) ice-sheets representative for glaciation on the two major continents, i.e. Eurasia (EAZ) and North America (NAM). Antarctic glaciation is simulated with two separate ice-sheets, respectively for West and East Antarctica. The surface air temperature is reconstructed with an inventive inverse procedure, forced with benthic δ18O data. The procedure linearly relates the temperature to the difference between the modelled and observed marine δ18O 100 years later. The derived temperature, representative for the NH, is used to run the ice-sheet model over 100 years, to obtain a mutually consistent record of marine δ18O, sea level and temperature for the last 35 Ma of the Cenozoic. For Northern Hemispheric glaciations results are good compared to similar simulations performed with a much more comprehensive 3-D ice-sheet model. On average, differences are only 1.9 ˚ C for temperature and 6.1 m for sea level. Results with ice-sheets on both hemispheres are very similar. Most notably, the reconstructed ice volume as function of temperature shows a transition from climate dominated by Antarctic ice volume variation towards NH ice-sheets controlled climate. The transition period falls within the range of interglacials (about -2 to +8 ˚ C with respect to present day) and is thus characterized by lower ice volume changes per ˚ C. The relationship between temperature, sea level and δ18O input is tested with an equilibrium experiment, which results in a linear and symmetric relationship for both temperature and total sea level, providing limited evidence for hysteresis, though transient behaviour is still important. Furthermore results show a rather good comparison with other simulations of Antarctic ice volume and observed sea level and deep-sea temperature.

  18. 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.

  19. 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.

  20. 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

  1. 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

  2. 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.

  3. 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.).

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. 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...

  9. 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.

  10. 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.

  11. 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...

  12. Titan's photochemical model: Further update, oxygen species, and comparison with Triton and Pluto

    NASA Astrophysics Data System (ADS)

    Krasnopolsky, V. A.

    2012-12-01

    The photochemical model for Titan's atmosphere and ionosphere is improved using the Troe approximation for termolecular reactions and inclusion of four radiative association reactions from those calculated by Vuitton et al. (2012). Proper fitting of eddy diffusion results in a reduction of the mean difference between 63 observed mixing ratios and their calculated values from a factor of 5 in our previous Titan's models to a factor of 3 in the current model. Oxygen chemistry on Titan is initiated by influxes of H2O from meteorites and O+ from magnetospheric interactions with the Saturn rings and Enceladus. Two versions of the model were calculated, with and without the O+ flux. Balances of CO, CO2, H2O, and H2CO are discussed in detail for both versions. The calculated model with the O+ flux agrees with the observations of CO, CO2, and H2O, including recent H2O CIRS limb observations and measurements by the Herschel Space Observatory. Major observational data and photochemical models for Triton and Pluto are briefly discussed. While the basic atmospheric species N2, CH4, and CO are similar on Triton and Pluto, properties of their atmospheres are very different with dominating atomic species and ions in Triton's upper atmosphere and ionosphere opposed to the molecular composition on Pluto. Calculations favor a transition between two types of photochemistry at the CH4 mixing ratio of ~5×10-4. Therefore the current Triton's photochemistry is still similar to that at the Voyager flyby despite the observed increase in N2 and CH4. The meteorite H2O results in precipitation of CO on Triton and CO2 on Pluto near perihelion. Main oxygen species on Titan: observations and the model. Solid lines show the model with both meteorite influx of H2O and magnetospheric flux of O+. Thin lines show the model without flux of O+. Observations: (1) CIRS (de Kok et al. 2007), (2) CIRS at 5°N (Vinatier et al. 2010), (3) ISO (Coustenis et al. 1998), (4) INMS (Cui et al., 2009), (5) CIRS

  13. A 1-D radiative conductive model to study the SOIR/VEx thermal profiles

    NASA Astrophysics Data System (ADS)

    Mahieux, Arnaud; Erwin, Justin T.; Chamberlain, Sarah; Robert, Séverine; Carine Vandaele, Ann; Wilquet, Valérie; Thomas, Ian; Yelle, Roger V.; Bertaux, Jean-Loup

    2015-04-01

    SOIR is an infrared spectrometer on board Venus Express that probes the Venus terminator region since 2006. The measurements are taken on the morning and evening sides of the terminator, covering all latitudes from the North Pole to the South Pole. Its wavelength range - 2.2 to 4.3 μm - allows a detailed chemical inventory of the Venus atmosphere [1-5], such as CO2, CO, H2O, HCl, HF, SO2 and aerosols. CO2 is detected from 70 km up to 165 km, CO from 70 km to 140 km, and the minor species typically below 110 km down to 70 km. Number density profiles of these species are computed from the measured spectra. Temperature profiles are obtained while computing the spectral inversion of the CO2 spectra combined with the hydrostatic law [6]. These temperature measurements show a striking permanent temperature minimum (at 125 km) and a weaker temperature maximum (over 100-115 km). The time variability of the CO2 density profiles spans over two orders of magnitude, and a clear trend is seen with latitude. The temperature variations are also important, of the order of 35 K for a given pressure level, but the latitude variation are small. Miss-RT, a 1D radiative transfer model has been developed to reproduce the SOIR terminator profiles, derived from the Mars thermosphere code presented in [7]. This model has been expanded to better account for the CO2, CO, and O non-LTE radiative heating and cooling processes which have to be considered in the dense atmosphere of Venus. Radiative cooling by minor species detected by SOIR (e.g. HCl, SO2, and H2O) are found to be small in comparison to the 15 μm CO2 cooling. Aerosol cooling in the 60-90km altitude range may be important to the thermal balance. There is a good agreement between the 1D model temperature profile and the mean SOIR temperature profile. Further we can suggest parameters that can be adjusted to improve the agreement between the model and measurements. The remaining differences can be attributed to the atmosphere

  14. 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

  15. Development and applications of newly-developed photochemical/dynamic ship-plume model

    NASA Astrophysics Data System (ADS)

    Song, Chul H.; Kim, Hyun S.; Park, Rea S.

    2010-05-01

    A photochemical/dynamic ship-plume model, which can consider the ship-plume dynamics and ship-plume chemistry, simultaneously, was developed to gain a better understanding of atmospheric impact of ship emissions. The model performance was then evaluated by a comparison with the observation data measured on a NOAA WP-3D flight during the Intercontinental Transport and Chemical Transformation 2002 (ITCT 2K2) airborne field campaign. The simulation conditions and parameters, such as meteorological conditions, emission rates, and background gas and particulate species concentrations, were obtained directly and/or inferred indirectly from the ITCT 2K2 observation data. The model-predicted concentrations showed good agreement with the observed concentrations of five ambient species (NOx, NOy, ozone, HNO3, and H2SO4) at the eight plume transects by the WP-3D flight with strong correlations around the 1:1 line (0.64≤R≤0.85). In addition, a set of tests were carried out to approximate the magnitude of the reaction probability of HNO3 onto sea-salt particles in the model-observation comparison framework. These results suggest that the reaction probability of HNO3 onto sea-salt particles may be in the order of 0.05-0.1. The equivalent NOx lifetime throughout the 'entire plume' was also estimated from photochemical/dynamic ship-plume modeling. The NOx lifetimes estimated throughout the entire ship plume ranged from 2.64 hrs to 3.76 hrs under stable to neutral stability conditions. The short NOx lifetime over the entire ship plume clearly shows that the ship-plume chemistry shortens the NOx lifetime considerably. Moreover, numerical analysis was carried out to exam the detailed sources (and/or source contributions) of the elevated levels of HCHO in the ship corridors. From the multiple simulations, CH4 oxidation by elevated levels of OH radicals is found to be mainly responsible for the elevated levels of HCHO in the ship corridors. More than ~90% of HCHO within the entire

  16. Pseudofermion dynamical theory for the spin dynamical correlation functions of the half-filled 1D Hubbard model

    NASA Astrophysics Data System (ADS)

    Carmelo, J. M. P.; Čadež, T.

    2016-03-01

    A modified version of the metallic-phase pseudofermion dynamical theory (PDT) of the 1D Hubbard model is introduced for the spin dynamical correlation functions of the half-filled 1D Hubbard model Mott-Hubbard phase. The Mott-Hubbard insulator phase PDT is applied to the study of the model longitudinal and transverse spin dynamical structure factors at finite magnetic field h, focusing in particular on the singularities at excitation energies in the vicinity of the lower thresholds. The relation of our theoretical results to both condensed-matter and ultra-cold atom systems is discussed.

  17. Rayleigh Wave Dispersion and A 1d S-velocity Model of The Fennoscandian Mantle

    NASA Astrophysics Data System (ADS)

    Funke, S.; Friederich, W.; Sstwg, The

    We derive a Rayleigh wave dispersion curve from surface wave data recorded at the SVEKALAPKO tomographic array deployed in Southern Finland from September 1998 to March 1999. After a suite of processing steps, complex spectral amplitudes of the Rayleigh wave train are determined for each available seismogram. The process- ing includes low-pass filtering, instrument correction, deconvolution using a standard earth model to compress the Rayleigh wave train, computation of Gabor matrices (sonograms) to pick group travel times, and finally estimation of complex spectral amplitudes in a Gaussian time window of frequency-dependent width centered on the group travel time. Spectral amplitude values are only accepted if the signal-to-noise ratio in the considered frequency interval is above a pre-chosen threshold and if the picked group travel time does not deviate too strongly from that predicted by a stan- dard earth model. The final dataset contains spectral amplitude values at 34 selected periods from 52 earthquakes observed at on average 25 stations. For each selected frequency, we determine a phase velocity by fitting plane waves propagating across the array with this velocity to the complex spectral amplitudes of all earthquakes and stations. Errors are estimated with a bootstrap method. We obtain reliable phase velocities in the frequency band from 8 mHz to 50 mHz. Phase veloci- ties for lower frequencies exhibit large errors due to the lack of big earthquakes during the time of deployment. The phase velocities are substantially higher than predicted by standard earth model ak135 below 20 mHz and slightly lower above 25 mHz. We have inverted the dispersion curve for a 1D shear wave velocity model down to about 400 km depth and obtain a 50 km thick crust and a fast upper mantle with a sub- Moho velocity of 4.7 km/s. Our data do not require a low-velocity zone in the upper mantle. Indeed, the dispersion curve can be explained by a nearly straight velocity profile from

  18. 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.

  19. Development of a 1D canopy module to couple mesoscale meteorogical model with building energy model

    NASA Astrophysics Data System (ADS)

    Mauree, Dasaraden; Kohler, Manon; Blond, Nadège; Clappier, Alain

    2013-04-01

    The actual global warming, highlighted by the scientific community, is due to the greenhouse gases emissions resulting from our energy consumption. This energy is mainly produced in cities (about 70% of the total energy use). Around 36% of this energy are used in buildings (residential/tertiary) and this accounts for about 20% of the greenhouse gases emissions. Moreover, the world population is more and more concentrated in urban areas, 50% of the actual world population already lives in cities and this ratio is expected to reach 70% by 2050. With the obviously increasing responsibility of cities in climate change in the future, it is of great importance to go toward more sustainable cities that would reduce the energy consumption in urban areas. The energy use inside buildings is driven by two factors: (1) the level of comfort wished by the inhabitants and (2) the urban climate. On the other hand, the urban climate is influenced by the presence of buildings. Indeed, artificial surfaces of urban areas modify the energy budget of the Earth's surface and furthermore, heat is released into the atmosphere due to the energy used by buildings. Modifications at the building scale (micro-scale) can thus have an influence on the climate of the urban areas and surroundings (meso-scale), and vice and versa. During the last decades, meso-scale models have been developed to simulate the atmospheric conditions for domain of 100-1000km wide with a resolution of few kilometers. Due to their low resolution, the effects of small obstacles (such as buildings, trees, ...) near the ground are not reproduced properly and parameterizations have been developed to represent such effects in meso-scale models. On the other side, micro-scale models have a higher resolution (around 1 meter) and consequently can better simulate the impact of obstacles on the atmospheric heat flux exchanges with the earth surface. However, only a smaller domain (less than 1km) can be simulated for the same

  20. 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.

  1. Modeling of general 1-D periodic leaky-wave antennas in layered media using EIGER.

    SciTech Connect

    Wilton, Donald R.; Basilio, Lorena I.; Celepcikay, Ferhat T.; Johnson, William Arthur; Baccarelli, Paolo; Valerio, Guido; Paulotto, Simone; Langston, William L.; Jackson, David R.

    2010-09-01

    This paper presents a mixed-potential integral-equation formulation for analyzing 1-D periodic leaky-wave antennas in layered media. The structures are periodic in one dimension and finite in the other two dimensions. The unit cell consists of an arbitrary-shaped metallic/dielectric structure. The formulation has been implemented in the EIGER{trademark} code in order to obtain the real and complex propagation wavenumbers of the bound and leaky modes of such structures. Validation results presented here include a 1-D periodic planar leaky-wave antenna and a fully 3-D waveguide test case.

  2. Modeling of general 1-D periodic leaky-wave antennas in layered media with EIGER.

    SciTech Connect

    Wilton, Donald R.; Basilio, Lorena I.; Celepcikay, F. T.; Johnson, William Arthur; Baccarelli, Paolo; Valerio, G.; Paulotto, Simone; Langston, William L.; Jackson, David R.

    2010-06-01

    This paper presents a mixed-potential integral-equation formulation for analyzing 1-D periodic leaky-wave antennas in layered media. The structures are periodic in one dimension and finite in the other two dimensions. The unit cell consists of an arbitrary-shaped metallic/dielectric structure. The formulation has been implemented in the EIGER{trademark} code in order to obtain the real and complex propagation wavenumbers of the bound and leaky modes of such structures. Validation results presented here include a 1-D periodic planar leaky-wave antenna and a fully 3-D waveguide test case.

  3. Photochemical modelling in the Po basin with focus on formaldehyde and ozone

    NASA Astrophysics Data System (ADS)

    Liu, L.; Flatøy, F.; Ordóñez, C.; Braathen, G. O.; Hak, C.; Junkermann, W.; Andreani-Aksoyoglu, S.; Mellqvist, J.; Galle, B.; Prévôt, A. S. H.; Isaksen, I. S. A.

    2006-06-01

    As part of the EU project FORMAT (Formaldehyde as a Tracer of Oxidation in the Troposphere), a field campaign was carried out in the vicinity of Milan during the summer of 2002. Results from a 3-D regional chemical transport model (NILU RCTM) were used to interpret the observations focusing primarily on HCHO and ozone. The performance of the model was assessed by comparing model results with ground based and aircraft measurements. The model results show good agreement with surface measurements, and the model is able to reproduce the photochemical episodes during fair weather days. The comparison indicates that the model can represent well the HCHO concentrations as well as their temporal and spatial variability. The relationship between HCHO and (O3×H2O) was used to validate the model ability to predict the HCHO concentrations. Further analysis revealed the importance of the representativity of different instruments: in-situ concentrations might be locally enhanced by emissions, while long path measurements over a forest can be influenced by rapid formation of HCHO from isoprene. The model is able to capture the plume from the city of Milan and the modelled levels agree generally well with the aircraft measurements, although the wind fields used in the model can lead to a displacement of the ozone plume. During the campaign period, O3 levels were seldom higher than 80 ppbv, the peak surface ozone maxima reached 90 ppbv. Those relatively low values can be explained by low emissions during the August vacation and unstable weather conditions in this period. The modelled ΔO3/ΔNOz slope at Alzate of 5.1 agrees well with the measured slope of 4.9.

  4. Photochemical modelling in the Po basin with focus on formaldehyde and ozone

    NASA Astrophysics Data System (ADS)

    Liu, L.; Flatøy, F.; Ordóñez, C.; Braathen, G. O.; Hak, C.; Junkermann, W.; Andreani-Aksoyoglu, S.; Mellqvist, J.; Galle, B.; Prévôt, A. S. H.; Isaksen, I. S. A.

    2007-01-01

    As part of the EU project FORMAT (Formaldehyde as a Tracer of Oxidation in the Troposphere), a field campaign was carried out in the vicinity of Milan during the summer of 2002. Results from a 3-D regional chemical transport model (NILU RCTM) were used to interpret the observations focusing primarily on HCHO and ozone. The performance of the model was assessed by comparing model results with ground based and aircraft measurements. The model results show good agreement with surface measurements, and the model is able to reproduce the photochemical episodes during fair weather days. The comparison indicates that the model can represent well the HCHO concentrations as well as their temporal and spatial variability. The relationship between HCHO and (O3×H2O) was used to validate the model ability to predict the HCHO concentrations. Further analysis revealed the importance of the representativeness of different instruments: in-situ concentrations might be locally enhanced by emissions, while long path measurements over a forest can be influenced by rapid formation of HCHO from isoprene. The model is able to capture the plume from the city of Milan and the modelled levels agree generally well with the aircraft measurements, although the wind fields used in the model can lead to a displacement of the ozone plume. During the campaign period, O3 levels were seldom higher than 80 ppb, the peak surface ozone maxima reached 90 ppb. Those relatively low values can be explained by low emissions during the August vacation and unstable weather conditions in this period. The modelled ΔO3/ΔNOz slope at Alzate of 5.1 agrees well with the measured slope of 4.9.

  5. Regional photochemical air quality modeling in the Mexico-US border area

    SciTech Connect

    Mendoza, A.; Russell, A.G.; Mejia, G.M.

    1998-12-31

    The Mexico-United States border area has become an increasingly important region due to its commercial, industrial and urban growth. As a result, environmental concerns have risen. Treaties like the North American Free Trade Agreement (NAFTA) have further motivated the development of environmental impact assessment in the area. Of particular concern are air quality, and how the activities on both sides of the border contribute to its degradation. This paper presents results of applying a three-dimensional photochemical airshed model to study air pollution dynamics along the Mexico-United States border. In addition, studies were conducted to assess how size resolution impacts the model performance. The model performed within acceptable statistic limits using 12.5 x 12.5 km{sup 2} grid cells, and the benefits using finer grids were limited. Results were further used to assess the influence of grid-cell size on the modeling of control strategies, where coarser grids lead to significant loss of information.

  6. 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

  7. 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...

  8. Comparison of a Thermospheric Photochemical Model with SNOE Observations of Nitric Oxide

    NASA Astrophysics Data System (ADS)

    Barth, C. A.; Bailey, S. M.; Mankoff, K. D.

    2002-12-01

    A time-dependent, photochemical model has been used to calculate nitric oxide density in the lower thermosphere for 935 days (March 11, 1998 - September 30, 2000) as a function of latitude. The model data has been compared with observations made by the Student Nitric Oxide Explorer (SNOE). The energy inputs to the model are solar soft x-rays, solar extreme ultraviolet radiation, and auroral electrons. The solar soft x-rays in the 2-7 nm wavelength band have been measured by the SNOE solar x-ray photometer. The atmospheric structure is calculated using the MSIS model with the 10.7 cm radio flux and the geomagnetic index Ap as inputs. The model calculation has been performed for latitudes between 0 and 80 degrees N in steps of 5 degrees. A model calculation for the two and a half years using only solar soft x-rays (no auroral electrons) shows strong seasonal behavior in the nitric oxide density particularly in the regions of polar night. The correlation of the calculated nitric oxide density at the equator with SNOE observations shows excellent agreement and a high correlation coefficient. A model calculation with both solar soft x-rays and auroral electron precipitation shows large and varying nitric oxide density in the auroral region between 60 and 70 degrees geomagnetic latitude. When the model calculation is subtracted from the SNOE observations, excess nitric oxide is found equatorward of the auroral region. Since the only source of odd nitrogen in the region between 0 and 55 degrees N is the solar soft x-ray source and that is accounted for in the model, this excess nitric oxide is attributed to nitric oxide that has been transported out of the auroral region by meridional winds.

  9. Integrating a 1D Thermal Lake Model into a Global and Regional Climate Model: Model Evaluation and Regional Climate Simulation

    NASA Astrophysics Data System (ADS)

    Subin, Z. M.; Riley, W. J.

    2009-12-01

    Compared to solid ground, lakes tend to have decreased albedo, increased ground heat conductance, and increased effective ground heat capacity. These features alter local surface fluxes compared to nearby vegetation, which in turn alter the climate of the nearby atmosphere and surrounding land areas. Interest in feedbacks between lake behavior and climate change provides motivation for including lakes in global climate models, as does the desire to do effective regional downscaling of climate model predictions over regions with large lake area fraction, like the Great Lakes region. Finally, the initiation, warming, and expansion of Arctic thermokarst lakes could provide an important geophysical and biogeochemical feedback to climate warming. The Community Land Model (CLM) 3.5 currently uses a 1D Hostetler lake scheme. We have updated this model to improve the characterization of surface fluxes, eddy diffusivity, and convective mixing. We also link the lake model with the full snow physics found over other land surface types (including 5 snow layers, aerosol deposition, partial transparency of snow layers, and snow aging), add phase change & ice physics to the lake model, and include soil layers beneath lakes. These soil layers will be an important component of future thermokarst lake modeling, as thermokarst lakes tend to form regions of unfrozen soil (talik) beneath them that become active sites for anaerobic decomposition of pre-modern peat. We have also integrated the updated lake model into a modified version of the Weather Research and Forecasting (WRF) Model 3.0. We will present comparisons between predicted and observed thermal conditions, snow and ice depths, and surface energy fluxes at several lake sites, using local meteorological forcing or integrated regional atmospheric coupling. The thermal predictions are generally reasonable and show a marked improvement from runs performed with the baseline CLM 3.5 version of the lake model. Over Sparkling Lake

  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. 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

  12. Investigation of ship-plume chemistry using a newly-developed photochemical ship-plume model

    NASA Astrophysics Data System (ADS)

    Kim, H. S.; Park, R. S.; Song, C. H.

    2009-05-01

    A photochemical ship-plume model, which can consider the ship-plume dynamics and ship-plume chemistry, simultaneously, was developed to gain a better understanding of atmospheric impact of ship emissions. The model performance was then evaluated by a comparison with the observation data measured on a NOAA WP-3D flight during the Intercontinental Transport and Chemical Transformation 2002 (ITCT 2K2) airborne field campaign. The simulation conditions and parameters, such as meteorological conditions, emission rates, and background gas and particulate species concentrations, were obtained directly and/or inferred indirectly from the ITCT 2K2 observation data. The model-predicted concentrations showed good agreement with the observed concentrations of five ambient species (NOx, NOy, O3, HNO3, and H2SO4) at the eight plume transects by the WP-3D flight with strong correlations around the 1:1 line (0.66≤R≤0.85). In addition, a set of tests were carried out to approximate the magnitude of the reaction probability of HNO3 onto sea-salt particles in the model-observation comparison framework. These results suggest that the reaction probability of HNO3 onto sea-salt particles may be in the order of 10-3 or smaller. The equivalent NOx lifetime throughout the "entire" plume was also estimated from ship-plume chemistry modeling. The NOx lifetimes estimated throughout the "entire ship plume" was 3.36 h. The short NOx lifetime over the entire ship plume clearly shows that the ship-plume chemistry shortens the NOx lifetime considerably. Therefore, the ship-plume chemistry model should be used to model the changes in ship-plume chemical compositions and better evaluate the atmospheric impact of ocean-going ship emissions.

  13. A three-dimensional axisymmetric photochemical flow model of the cometary 'inner' shock layer

    NASA Technical Reports Server (NTRS)

    Damas, M. C.; Mendis, D. A.

    1992-01-01

    Assuming the Newtonian thin layer approximation to describe the structure of the shock layer between the cometary 'ionopause' and the inner shock, a 3D axisymmetric photochemical flow model of this layer is constructed. While sources of ions in this layer are the flow across the inner shock and photoionization of neutrals within it, the sinks are the flow into the flanks and dissociative recombination, the latter being the dominant one. For Halley's comet at the time of the Giotto encounter, the calculated thickness of the layer is very small, typically about 100 km for expected values of the dissociative-recombination coefficient. This is not inconsistent with the observations. The lateral flow speed near the point of encounter (inbound) is about 0.9 km/s, while the sonic line is at an angle of about 50 deg to the sun-comet line. Testing the validity of this model will have to await a cometary rendezvous mission such as the proposed CRAF/Cassini mission.

  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. 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.

  16. 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.

  17. Myofibrillar disruption and RNA-binding protein aggregation in a mouse model of limb-girdle muscular dystrophy 1D.

    PubMed

    Bengoechea, Rocio; Pittman, Sara K; Tuck, Elizabeth P; True, Heather L; Weihl, Conrad C

    2015-12-01

    Limb-girdle muscular dystrophy type 1D (LGMD1D) is caused by dominantly inherited missense mutations in DNAJB6, an Hsp40 co-chaperone. LGMD1D muscle has rimmed vacuoles and inclusion bodies containing DNAJB6, Z-disc proteins and TDP-43. DNAJB6 is expressed as two isoforms; DNAJB6a and DNAJB6b. Both isoforms contain LGMD1D mutant residues and are expressed in human muscle. To identify which mutant isoform confers disease pathogenesis and generate a mouse model of LGMD1D, we evaluated DNAJB6 expression and localization in skeletal muscle as well as generating DNAJB6 isoform specific expressing transgenic mice. DNAJB6a localized to myonuclei while DNAJB6b was sarcoplasmic. LGMD1D mutations in DNAJB6a or DNAJB6b did not alter this localization in mouse muscle. Transgenic mice expressing the LGMD1D mutant, F93L, in DNAJB6b under a muscle-specific promoter became weak, had early lethality and developed muscle pathology consistent with myopathy after 2 months; whereas mice expressing the same F93L mutation in DNAJB6a or overexpressing DNAJB6a or DNAJB6b wild-type transgenes remained unaffected after 1 year. DNAJB6b localized to the Z-disc and DNAJB6b-F93L expressing mouse muscle had myofibrillar disorganization and desmin inclusions. Consistent with DNAJB6 dysfunction, keratin 8/18, a DNAJB6 client also accumulated in DNAJB6b-F93L expressing mouse muscle. The RNA-binding proteins hnRNPA1 and hnRNPA2/B1 accumulated and co-localized with DNAJB6 at sarcoplasmic stress granules suggesting that these proteins maybe novel DNAJB6b clients. Similarly, hnRNPA1 and hnRNPA2/B1 formed sarcoplasmic aggregates in patients with LGMD1D. Our data support that LGMD1D mutations in DNAJB6 disrupt its sarcoplasmic function suggesting a role for DNAJB6b in Z-disc organization and stress granule kinetics. PMID:26362252

  18. 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.

  19. 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.

  20. 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).

  1. 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

  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. Regional scale photochemical model evaluation of total mercury wet deposition and speciated ambient mercury

    NASA Astrophysics Data System (ADS)

    Baker, Kirk R.; Bash, Jesse O.

    2012-03-01

    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 resulting from complex emissions sources and physical and chemical processes that govern the fate of mercury in the atmosphere. Total mercury wet deposition estimates from multiple regional photochemical transport models applied at 12 km grid resolution over the continental United States compare well with observations (CAMx fractional error = 45%, CMAQ fractional error = 33%) despite uncertainties in global mercury emissions inventories and certain chemical transformation pathways. In addition, both CMAQ and CAMx well represent observed diel and seasonal patterns of Hg(0) and tend to exaggerate the diel patter of Hg(II) at AMNet monitor locations. The observed fraction of particulate mercury to total oxidized mercury (sum of particulate mercury and Hg(II)) is generally greater in colder months and during overnight hours. The modeling systems tend to capture these patterns but have a systematically lower fraction of particulate mercury to total oxidized mercury, especially in winter months.Annual total mercury deposition from wet and dry processes is 65% greater in CMAQ compared to CAMx over the entire modeling domain. This is largely due to higher wet deposition in CMAQ and higher dry deposition of Hg(0), which is treated as equilibrium with mercury re-emissions and not modeled in CAMx. A sensitivity using CAMx with Hg(0) dry deposition treated similar to CMAQ resulted in more comparable total mercury deposition estimates. Modeled dry deposition velocities for Hg(II) compare well with the limited experimental data, while Hg(0) dry deposition velocities are lower than published experimental data. A mercury bi-directional flux sensitivity application in CMAQ had the overall effect of reducing

  5. Characterization of a thromboembolic photochemical model of repeated stroke in mice.

    PubMed

    Lozano, J Diego; Abulafia, Denise P; Danton, Gary H; Watson, Brant D; Dietrich, W Dalton

    2007-05-15

    Many stroke research groups utilize the model of middle cerebral artery occlusion induced by insertion of an intraluminal thread, owing to its pragmatism and reliability of cerebral infarct generation. However, 75% of stroke cases result from a thromboembolic event and 10% from occlusive atherothrombosis in situ. Here, we characterize a mouse model of repeated thromboembolic stroke, which closely mimics the intravascular pathophysiology of arterial thrombus generation from an atherosclerotic plaque, and subsequent release of a thrombus into the cerebral circulation as an embolus. Common carotid artery thrombosis (CCAT) was induced photochemically leading to non-occlusive platelet aggregation in C57/BL6 male mice (n=35), and was followed by mechanical assistance to facilitate release of the thrombus (MRT) and thus promote embolism. Six experimental groups, differing by changes in the surgical protocol, were used for the purpose of determining which such procedure yielded the most reliable and consistent brain infarct volumes with the lowest mortality at 3 days after surgery. The group which best satisfied these conditions was a double insult group which consisted of animals that underwent CCAT for 2 min by means of argon laser irradiation (514.5 nm) at an intensity of ca. 130 W/cm(2), with concomitant injection of erythrosin B (EB) (35 mg/kg infused over those same 2 min), followed by MRT 1 min later; the entire procedure was repeated 24h later. This group showed a percent of brain lesion volume of 15+/-4% (mean+/-S.D.) with no associated 3-day mortality. Compared to a single insult group which sustained a percent brain lesion volume of 7+/-3%, there was a statistically significant (p<0.05) increase in the volume of infarction in the double-insult group. PMID:17363066

  6. Partitioning of evaporation into transpiration, soil evaporation and interception: a comparison between isotope measurements and a HYDRUS-1D model

    NASA Astrophysics Data System (ADS)

    Sutanto, S. J.; Wenninger, J.; Coenders-Gerrits, A. M. J.; Uhlenbrook, S.

    2012-08-01

    Knowledge of the water fluxes within the soil-vegetation-atmosphere system is crucial to improve water use efficiency in irrigated land. Many studies have tried to quantify these fluxes, but they encountered difficulties in quantifying the relative contribution of evaporation and transpiration. In this study, we compared three different methods to estimate evaporation fluxes during simulated summer conditions in a grass-covered lysimeter in the laboratory. Only two of these methods can be used to partition total evaporation into transpiration, soil evaporation and interception. A water balance calculation (whereby rainfall, soil moisture and percolation were measured) was used for comparison as a benchmark. A HYDRUS-1D model and isotope measurements were used for the partitioning of total evaporation. The isotope mass balance method partitions total evaporation of 3.4 mm d-1 into 0.4 mm d-1 for soil evaporation, 0.3 mm d-1 for interception and 2.6 mm d-1 for transpiration, while the HYDRUS-1D partitions total evaporation of 3.7 mm d-1 into 1 mm d-1 for soil evaporation, 0.3 mm d-1 for interception and 2.3 mm d-1 for transpiration. From the comparison, we concluded that the isotope mass balance is better for low temporal resolution analysis than the HYDRUS-1D. On the other hand, HYDRUS-1D is better for high temporal resolution analysis than the isotope mass balance.

  7. A 1D Model For Describing Ion Cyclotron Resonance Heating At Arbitrary Cyclotron Harmonics

    NASA Astrophysics Data System (ADS)

    Van Eester, Dirk; Lerche, Ernesto

    2011-12-01

    Both at low and higher cyclotron harmonics, properly accounting for finite Larmor radius effects is crucial in many ICRF heating scenario's creating high energy tails. The present paper discusses an extension of the 1D TOMCAT wave equation solver [1] to arbitrary harmonics and arbitrary wavelengths. Rather than adopting the particle position, the guiding center position is used as the independent variable when writing down an expression for the dielectric response that is suitable for numerical application. This choice of variable yields symmetric and intuitive expressions, and guarantees that a positive definite power absorption is obtained for any of the wave modes in the plasma. Rather than relying on a truncated Taylor series expansion of the dielectric response, an integro-differential approach is proposed. To keep the required computation time for this generalized description reasonable tabulation of integrals is intensively used. An example is provided to illustrate the potential of the new wave code.

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

    NASA Astrophysics Data System (ADS)

    Porter, P. Steven; Rao, S. Trivikrama; Hogrefe, Christian; Gego, Edith; Mathur, Rohit

    2015-07-01

    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 the current generation of regional photochemical models can have large biases and errors in simulating absolute levels of pollutant concentrations. Studies have also revealed that regional air quality models were not always accurately reproducing even the relative changes in ozone air quality stemming from changes in emissions. This paper introduces four approaches to adjust for model bias and errors in order to provide greater confidence for their use in estimating future concentrations as well as using modeled pollutant concentrations in exposure assessments. The four methods considered here are a mean and variance (MV) adjustment, temporal component decomposition (TC) adjustment of modeled concentrations, and two variants of cumulative distribution function (CDF) mapping. These methods were compared against each other as well as against unadjusted model concentrations and a version of the relative response approach based on unadjusted model predictions. The analysis uses ozone concentrations simulated by the Community Multiscale Air Quality (CMAQ) model for the northeastern United States domain for the years 1996-2005. Ensuring that base case conditions are adequately represented through the combined use of observations and model simulations is shown to result in improved estimates of future air quality under changing emissions and meteorological conditions.

  10. Improved 1D model for calculating hydraulic properties in meandering rivers: Comparisons with measurements and 3D numerical simulations

    NASA Astrophysics Data System (ADS)

    Haji Mohammadi, M.; Kang, S.; Sotiropoulos, F.

    2011-12-01

    It is well-known that meander bends impose local losses of energy to the flow in rivers. These local losses should be added together with friction loss to get the total loss of energy. In this work, we strive to develop a framework that considers the effect of bends in meandering rivers for one-dimensional (1-D) homogenous equations of flow. Our objective is to develop a simple, yet physically sound, and efficient model for carrying out engineering computations of flow through meander bends. We consider several approaches for calculating 1-D hydraulic properties of meandering rivers such as friction factor and Manning coefficient. The method of Kasper et al. (2005), which is based on channel top width, aspect ratio and radius of curvature, is adopted for further calculations. In this method, a correction is implemented in terms of local energy loss, due to helical motion and secondary currents of fluid particles driven by centrifugal force, in meanders. To validate the model, several test cases are simulated and the computed results are compared with the reported data in the literature in terms of water surface elevation, shear velocity, etc. For all cases the computed results are in reasonable agreement with the experimental data. 3-D RANS turbulent flow simulations are also carried out, using the method of Kang et al. (Adv. In Water Res., vol. 34, 2011), for different geometrical parameters of Kinoshita Rivers to determine the spatial distribution of shear stress on river bed and banks, which is the key factor in scour/deposition patterns. The 3-D solutions are then cross-sectionally averaged and compared with the respective solutions from the 1-D model. The comparisons show that the improved 1D model, which incorporates the effect of local bend loss, captures key flow parameters with reasonable accuracy. Our results also underscore the range of validity and limitations of 1D models for meander bend simulations. This work was supported by NSF Grants (as part of

  11. 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.

  12. Diurnal variation of stratospheric HOCl, ClO and HO2 at the equator: comparison of 1-D model calculations with measurements of satellite instruments

    NASA Astrophysics Data System (ADS)

    Khosravi, M.; Baron, P.; Urban, J.; Froidevaux, L.; Jonsson, A. I.; Kasai, Y.; Kuribayashi, K.; Mitsuda, C.; Murtagh, D. P.; Sagawa, H.; Santee, M. L.; Sato, T. O.; Shiotani, M.; Suzuki, M.; von Clarmann, T.; Walker, K. A.; Wang, S.

    2012-08-01

    The diurnal variation of HOCl and the related species ClO, HO2 and HCl measured by satellites has been compared with the results of a one-dimensional photochemical model. The study compares the data from various limb-viewing instruments with model simulations from the middle stratosphere to the lower mesosphere. Data from three sub-millimeter instruments and two infrared spectrometers are used, namely from the Sub-Millimeter Radiometer (SMR) on board Odin, the Microwave Limb Sounder (MLS) on board Aura, the Superconducting Submillimeter-wave Limb-Emission Sounder (SMILES) on the International Space Station, the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) on board ENVISAT, and the Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS) on board SCISAT. Inter-comparison of the measurements from instruments on sun-synchronous satellites (SMR, MLS, MIPAS) and measurements from solar occultation instruments (ACE-FTS) is challenging since the measurements correspond to different solar zenith angles (or local times). However, using a model which covers all solar zenith angles and the new SMILES instrument which measures at all local times over a period of several months provides the possibility to indirectly compare the diurnally variable species. The satellite data were averaged for latitudes of 20° S to 20° N for the SMILES observation period from November 2009 to April 2010 and were compared at three altitudes: 35, 45 and 55 km. This study presents the first evaluation of HO2 Odin/SMR data and also the first comparison of the new SMILES data and the latest version of MLS (version 3.3) with other satellite observations. The MISU-1D model has been run for conditions and locations of the observations. The diurnal cycle features for the species investigated here are generally well reproduced by the model. The satellite observations and the model generally agree well in terms of absolute mixing ratios as well as differences between

  13. Diurnal Evolution of Organic Aerosols over Paris: Insights from the Combination of Measurements during the MEGAPOLI campaign with a 1D Model

    NASA Astrophysics Data System (ADS)

    Janssen, Ruud H. H.; Tsimpidi, Alexandra P.; Karydis, Vlassis A.; Lelieveld, Jos

    2014-05-01

    In spite of rapid developments in our understanding of organic aerosol (OA) physicochemical properties, representing the OA composition and evolution over urban areas remains a challenge. This study addresses the diurnal evolution of OA over Paris during the MEGAPOLI campaign. We analyze the observations with a model that aims at a balanced representation of the various processes that contribute to the diurnal variation of the organic aerosol budget. It is a 1D Eulerian model of the atmospheric boundary layer that contains advanced modules for gas-phase chemistry, gas/particle partitioning, and dry deposition. The model represents a computationally efficient framework for the accurate description of OA formation and photochemical evolution in the boundary layer. Semi-volatile organic components are distributed into volatility bins based on their saturation concentration and are allowed to partition into the aerosol phase. Furthermore, the semi-volatile organics in the gas phase continue to react with OH radical leading to compounds with lower volatility and hence continued OA formation. Model results are evaluated against available observations of OA, gas-phase chemistry and boundary layer dynamics. The model results are used along with the Aerosol Mass Spectrometer (AMS) dataset from the MEGAPOLI campaign to give new insights into the sources and diurnal production of OA over Paris. Furthermore, budget calculations are performed to show the contribution of the various processes (i.e., photochemistry, aerosol thermodynamics, boundary layer dynamics, etc.) to the calculated OA mass. Finally, the influence of uncertainties in several processes that determine the OA budget on the calculated OA properties is systematically analyzed through a series of sensitivity analyses. These include emission fractions of semivolatile and intermediate volatile compounds (SVOC/IVOC), secondary OA yields for the various gas-phase precursors, gas-phase aging of SVOC and IVOC during

  14. 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.

  15. 1D Nonisothermal Fiber Spinning Models for Thermotropic Polymeric Liquid Crystals

    NASA Astrophysics Data System (ADS)

    Zhou, Hong; Forest, M. Gregory; Wang, Qi

    1997-11-01

    Previous slender one-dimensional models for axisymmetric filaments of liquid crystalline polymers (LCPs) are extended to include temperature-dependent material behavior and an energy equation. A two-phase model is posited, where below the glass transition temperature the material is modeled as a rigid cooling LCP fiber. We present families of numerical steady boundary-value solutions for thermal spinning flows; effects of temperature-dependent viscosity, LCP relaxation, excluded-volume potential, and viscous heating are modeled and exhibited. The predictions focus on thermal influence on spun fiber performance properties, such as birefringence and axial force, and process stability. A cooling ambient clearly contributes to faster stable spinning speeds.

  16. 1-D DC Resistivity Modeling and Interpretation in Anisotropic Media Using Particle Swarm Optimization

    NASA Astrophysics Data System (ADS)

    Pekşen, Ertan; Yas, Türker; Kıyak, Alper

    2014-09-01

    We examine the one-dimensional direct current method in anisotropic earth formation. We derive an analytic expression of a simple, two-layered anisotropic earth model. Further, we also consider a horizontally layered anisotropic earth response with respect to the digital filter method, which yields a quasi-analytic solution over anisotropic media. These analytic and quasi-analytic solutions are useful tests for numerical codes. A two-dimensional finite difference earth model in anisotropic media is presented in order to generate a synthetic data set for a simple one-dimensional earth. Further, we propose a particle swarm optimization method for estimating the model parameters of a layered anisotropic earth model such as horizontal and vertical resistivities, and thickness. The particle swarm optimization is a naturally inspired meta-heuristic algorithm. The proposed method finds model parameters quite successfully based on synthetic and field data. However, adding 5 % Gaussian noise to the synthetic data increases the ambiguity of the value of the model parameters. For this reason, the results should be controlled by a number of statistical tests. In this study, we use probability density function within 95 % confidence interval, parameter variation of each iteration and frequency distribution of the model parameters to reduce the ambiguity. The result is promising and the proposed method can be used for evaluating one-dimensional direct current data in anisotropic media.

  17. Bottom Roughness and Bathymetry Estimation of 1-D Shallow Water Equations Model Using Ensemble Kalman Filter

    NASA Astrophysics Data System (ADS)

    Hooshyar, M.; Hagen, S. C.; Wang, D.

    2014-12-01

    Hydrodynamic models are widely applied to coastal areas in order to predict water levels and flood inundation and typically involve solving a form of the Shallow Water Equations (SWE). The SWE are routinely discretized by applying numerical methods, such as the finite element method. Like other numerical models, hydrodynamic models include uncertainty. Uncertainties are generated due to errors in the discrete approximation of coastal geometry, bathymetry, bottom friction and forcing functions such as tides and wind fields. Methods to counteract these uncertainties should always begin with improvements to physical characterization of: the geometric description through increased resolution, parameters that describe land cover variations in the natural and urban environment, parameters that enhance transfer of surface forcings to the water surface, open boundary forcings, and the wetting/drying brought upon by flood and ebb cycles. When the best possible physical representation is achieved, we are left with calibration and data assimilation to reduce model uncertainty. Data assimilation has been applied to coastal hydrodynamic models to better estimate system states and/or system parameters by incorporating observed data into the model. Kalman Filter is one of the most studied data assimilation methods that minimizes the mean square errors between model state estimations and the observed data in linear systems (Kalman , 1960). For nonlinear systems, as with hydrodynamic models, a variation of Kalman filter called Ensemble Kalman Filter (EnKF), is applied to update the system state according to error statistics in the context of Monte Carlo simulations (Evensen , 2003) & (Hitoshi et. al, 2014). In this research, Kalman Filter is incorporated to simultaneously estimate an influential parameter used in the shallow water equations, bottom roughness, and to adjust the physical feature of bathymetry. Starting from an initial estimate of bottom roughness and bathymetry, and

  18. CR1Dmod: A Matlab program to model 1D complex resistivity effects in electrical and electromagnetic surveys

    NASA Astrophysics Data System (ADS)

    Ingeman-Nielsen, Thomas; Baumgartner, François

    2006-11-01

    We have constructed a forward modelling code in Matlab, capable of handling several commonly used electrical and electromagnetic methods in a 1D environment. We review the implemented electromagnetic field equations for grounded wires, frequency and transient soundings and present new solutions in the case of a non-magnetic first layer. The CR1Dmod code evaluates the Hankel transforms occurring in the field equations using either the Fast Hankel Transform based on digital filter theory, or a numerical integration scheme applied between the zeros of the Bessel function. A graphical user interface allows easy construction of 1D models and control of the parameters. Modelling results are in agreement with other authors, but the time of computation is less efficient than other available codes. Nevertheless, the CR1Dmod routine handles complex resistivities and offers solutions based on the full EM-equations as well as the quasi-static approximation. Thus, modelling of effects based on changes in the magnetic permeability and the permittivity is also possible.

  19. 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

  20. 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

  1. 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.

  2. Data Assimilation Using a Variational Method for a 1D Radiation Belt Diffusion Model

    NASA Astrophysics Data System (ADS)

    Marchand, R.; Degeling, A. W.; O'Donnell, S.; Rankin, R.; Kabin, K.

    2009-12-01

    A variational data assimilation algorithm has been developed to incorporate electron flux time-series data from satellites into a simple one dimensional diffusion model for the radial transport of radiation belt electrons. The model developed assumes a power law scaling for the radial diffusion coefficient with L shell. The effectiveness of this method is investigated by means of a series of identical twin numerical experiments. This involves using the diffusion model to produce synthetic observations along various satellite trajectories. These observations are in turn used to estimate time-dependent parameters input to the diffusion model, which are compared against the values initially used. The data assimilation algorithm considers the time dependent source located at the outer boundary as a function to be determined. Using synthetic satellite electron flux observations, the algorithm computes a source function that, when used as an input to the diffusion model, most closely reproduces the synthetic observations in a least-squares sense. Observational errors are taken into account, and an estimate of the uncertainty in the output source function is also produced. This uncertainty is found to consistently reflect the quality of the source function estimation during identical twin numerical experiments. Initial tests indicate that the quality of the outer boundary source estimation is strongly dependent on the satellite location, indicating that the outer boundary source estimation becomes poor as information relating to the outer boundary contained in the observations is reduced. The potential of using this data assimilation method to estimate one or more parameters that determine the radial diffusion coefficient, and the possibility of determining whether physical processes affecting the observations are missing in the dynamical model will be discussed.

  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. 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.

  5. Strong decays of excited 1D charmed(-strange) mesons in the covariant oscillator quark model

    NASA Astrophysics Data System (ADS)

    Maeda, Tomohito; Yoshida, Kento; Yamada, Kenji; Ishida, Shin; Oda, Masuho

    2016-05-01

    Recently observed charmed mesons, D1* (2760), D3* (2760) and charmed-strange mesons, Ds1 * (2860), Ds3 * (2860), by BaBar and LHCb collaborations are considered to be plausible candidates for c q ¯ 13 DJ (q = u, d, s) states. We calculate the strong decays with one pion (kaon) emission of these states including well-established 1S and 1P charmed(-strange) mesons within the framework of the covariant oscillator quark model. The results obtained are compared with the experimental data and the typical nonrelativistic quark-model calculations. Concerning the results for 1S and 1P states, we find that, thanks to the relativistic effects of decay form factors, our model parameters take reasonable values, though our relativistic approach and the nonrelativistic quark model give similar decay widths in agreement with experiment. While the results obtained for 13 DJ=1,3 states are roughly consistent with the present data, they should be checked by the future precise measurement.

  6. 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

  7. 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.

  8. 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.

  9. 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).

  10. 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.

  11. 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

  12. Constraining the temporal evolution of a deep hypersaline anoxic basin by 1D geochemical modelling

    NASA Astrophysics Data System (ADS)

    Goldhammer, Tobias; Aiello, Ivano; Zabel, Matthias

    2014-05-01

    Deep hypersaline anoxic basins (DHABs) are seafloor features of the accretionary prism of the Mediterranean Ridge. They have formed by the dissolution of exhumed shallow Messinian evaporites and subsequent concentration of the ultra-saline solutions in depressions on the seafloor. As an example, the horseshoe-shaped Urania basin is a DHAB south of the Peloponnese peninsula contains one of the most saline (about six times higher than Mediterranean seawater) and sulfidic (up to 15mM) water bodies of the Earth. Furthermore, its deepest part is underlain by a mud volcano that is responsible for the injection of fluid mud beneath the brine lake, with exceptionally sharp chemoclines between water column, brine, and mud layer. We here present a model approach to reconstruct the temporal aspects of the formation, dynamics and persistence of the brine-mud-system in the deep pit of the Urania Basin. Based on data from a sampling campaign with RV Meteor (Cruise M84/1 in February 2011), we set up a one-dimensional geochemical model that integrates diffusion, reaction and advective transport and mixing. Using a set of model preconditions, we aimed to answer (1) which processes are required to maintain the current situation of steep chemical gradients of the brine-mud-system, (2) how fast the current situation could have developed under different scenarios, and (3) how long such extraordinary conditions could have persisted through Earth's history. We further discuss the consequences of the temporal framework for the evolution of prokaryotic life in this extreme habitat.

  13. 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.

  14. The Sensitivity of Model Ozone to Advective and Photochemical Processes in the High Latitude Winter Lower Stratosphere

    NASA Technical Reports Server (NTRS)

    Douglass, A.; Kawa, S. R.; Einaudi, Franco (Technical Monitor)

    2000-01-01

    Three dimensional chemistry and transport models (CTMs) contain a set of coupled continuity equations which describe the evolution of constituents such as ozone and other minor species which affect ozone. Both advection and photochemical processes contribute to constituent evolution, and a CTM provides a means to evaluate these contributions separately. Such evaluation is particularly useful when both terms are important to the modeled tendency. An example is the ozone tendency in the high latitude winter lower stratosphere, where advection tends to increase ozone, and catalytic processes involving chlorine radicals tend to decrease ozone. The Goddard three dimensional chemistry and transport model uses meteorological fields from the Goddard Earth Observing System Data Assimilation System, thus the modeled ozone evolution may reproduce the observed evolution and provide a test of the model representation of photochemical processes if the transport is shown to be modeled appropriately. We have investigated the model advection further using diabatic trajectory calculations. For long lived constituents such as N2O, the model field for a particular time on a potential temperature surface is compared with a field produced by calculating 15 day back trajectories for a fixed latitude longitude grid, and mapping model N2O at the terminus of the back trajectories onto the initial grid. This provides a quantitative means to evaluate two aspects of the CTM transport: one, the model horizontal gradient between middle latitudes and the polar vortex is compared with the gradient produced using the non-diffusive trajectory calculation; two, the model vertical advection, which is produced by the divergence of the horizontal winds, is compared with the vertical transport expected from diabatic cooling.

  15. Efficient Conservative Numerical Schemes for 1D Nonlinear Spherical Diffusion Equations with Applications in Battery Modeling

    SciTech Connect

    Zeng, Y; Albertus, P; Klein, R; Chaturvedi, N; Kojic, A; Bazant, MZ; Christensen, J

    2013-06-07

    Mathematical models of batteries which make use of the intercalation of a species into a solid phase need to solve the corresponding mass transfer problem. Because solving this equation can significantly add to the computational cost of a model, various methods have been devised to reduce the computational time. In this paper we focus on a comparison of the formulation, accuracy, and order of the accuracy for two numerical methods of solving the spherical diffusion problem with a constant or non-constant diffusion coefficient: the finite volume method and the control volume method. Both methods provide perfect mass conservation and second order accuracy in mesh spacing, but the control volume method provides the surface concentration directly, has a higher accuracy for a given numbers of mesh points and can also be easily extended to variable mesh spacing. Variable mesh spacing can significantly reduce the number of points that are required to achieve a given degree of accuracy in the surface concentration (which is typically coupled to the other battery equations) by locating more points where the concentration gradients are highest. (C) 2013 The Electrochemical Society. All rights reserved.

  16. 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.

  17. 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

  18. Comprehensive 1D Modelling of Reactive Chemical Transport in Unsaturated Soil

    NASA Astrophysics Data System (ADS)

    Wissmeier, L.; Barry, D. A.

    2007-12-01

    Computer models for simulating environmental processes of water flow, solute transport and geochemical reactions have greatly advanced during recent years. However, there is still demand for the development of programs that a capable of simulating the numerous interactions between physical transport processes and biogeochemical reactions in natural soils. We present a new tool for simulating transient vadose zone flow and solute transport according to the moisture- based form of Richards' equation within the widely used geochemical software PHREEQC. The direct implementation into the geochemical framework provides access to comprehensive geochemical models, giving capabilities beyond existing software for coupled unsaturated flow and reaction. Possible reactions include complex aqueous speciation, cation exchange, equilibrium phase dissolution and precipitation, formation of solid solutions, redox reactions, gas phase exchange, surface adsorption considering electrostatics and kinetic reactions with user-defined rate equations, among others. As a result of the close coupling procedure, the influence of geochemical reactions on water content, e.g., through dissolution or precipitation of water-containing phases, can be investigated. For the solution of the partial differential equations of flow and transport, an explicit finite-difference formulation with a second-order space discretization and first-order time discretization was employed. The use of integrated diffusivities transforms Richards' equation into a simple advection-diffusion equation. Changes in water content and solute concentration were conceptualized as local kinetic reactions of individual elements where changes in moisture content result from fluxes of oxygen and hydrogen across cell boundaries. Reactions and chemical element transport are coupled via sequential two-step operator splitting. The scheme was implemented into PHREEQC without any source code modification such that it can be applied by

  19. Pool Formation in Boulder-Bed Streams: Implications From 1-D and 2-D Numerical Modeling

    NASA Astrophysics Data System (ADS)

    Harrison, L. R.; Keller, E. A.

    2003-12-01

    In mountain rivers of Southern California, boulder-large roughness elements strongly influence flow hydraulics and pool formation and maintenance. In these systems, boulders appear to control the stream morphology by converging flow and producing deep pools during channel forming discharges. Our research goal is to develop quantitative relationships between boulder roughness elements, temporal patterns of scour and fill, and geomorphic processes that are important in producing pool habitat. The longitudinal distribution of shear stress, unit stream power and velocity were estimated along a 48 m reach on Rattlesnake Creek, using the HEC-RAS v 3.0 and River 2-D numerical models. The reach has an average slope of 0.02 and consists of a pool-riffle sequence with a large boulder constriction directly above the pool. Model runs were performed for a range of stream discharges to test if scour and fill thresholds for pool and riffle environments could be identified. Results from the HEC-RAS simulations identified that thresholds in shear stress, unit stream power and mean velocity occur above a discharge of 5.0 cms. Results from the one-dimensional analysis suggest that the reversal in competency is likely due to changes in cross-sectional width at varying flows. River 2-D predictions indicated that strong transverse velocity gradients were present through the pool at higher modeled discharges. At a flow of 0.5 cms (roughly 1/10th bankfull discharge), velocities are estimated at 0.6 m/s and 1.3 m/s for the pool and riffle, respectively. During discharges of 5.15 cms (approximate bankfull discharge), the maximum velocity in the pool center increased to nearly 3.0 m/s, while the maximum velocity over the riffle is estimated at approximately 2.5 cms. These results are consistent with those predicted by HEC-RAS, though the reversal appears to be limited to a narrow jet that occurs through the pool head and pool center. Model predictions suggest that the velocity reversal is

  20. 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.

  1. 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.

  2. 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.

  3. Exact solution of the 1D Hubbard model with NN and NNN interactions in the narrow-band limit

    NASA Astrophysics Data System (ADS)

    Mancini, Ferdinando; Plekhanov, Evgeny; Sica, Gerardo

    2013-10-01

    We present the exact solution, obtained by means of the Transfer Matrix (TM) method, of the 1D Hubbard model with nearest-neighbor (NN) and next-nearest-neighbor (NNN) Coulomb interactions in the atomic limit ( t = 0). The competition among the interactions ( U, V 1, and V 2) generates a plethora of T = 0 phases in the whole range of fillings. U, V 1, and V 2 are the intensities of the local, NN and NNN interactions, respectively. We report the T = 0 phase diagram, in which the phases are classified according to the behavior of the principal correlation functions, and reconstruct a representative electronic configuration for each phase. In order to do that, we make an analytic limit T → 0 in the transfer matrix, which allows us to obtain analytic expressions for the ground state energies even for extended transfer matrices. Such an extension of the standard TM technique can be easily applied to a wide class of 1D models with the interaction range beyond NN distance, allowing for a complete determination of the T = 0 phase diagrams.

  4. 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.

  5. Vlasov dynamics of 1D models with long-range interactions

    NASA Astrophysics Data System (ADS)

    Druken, Kelsey A.

    Subduction zones, mid-ocean spreading centers and mantle plumes are three of the largest sources for volcanism on Earth. With subduction as the driving tectonic force, these systems are responsible for the evolution of both the crust and mantle and as a result are important processes in our understanding of the solid Earth. Mantle plume processes, however, are still strongly debated within the community, particularly when occurring near subduction zones. Using both laboratory (i.e. analog) and numerical modeling techniques, we examine the dynamic interaction between subduction-driven and plume-driven flow. Results highlight the weak nature of buoyant plumes in comparison to the dominant slab-induced circulation. As a consequence of the subduction-induced flow, surface expressions differ significantly from traditional plume expectations. Variations in slab sinking style and plume position lead to a range in plume head and conduit melting signatures, as well as migrating hotspots. Motivated by the debated origin of recent (< 20 Ma) volcanism in the Northwest U.S., we also report results of the evolution of finite strain within rollback-induced as well as plume-driven flow fields. If the patterns differ between background subduction and plume structures, seismic anisotropy observations could help distinguish the plume and non plume models that are suggested for the region. We find rollback-induced horizontal shear causes predominantly trench-normal strain alignment in the backarc mantle wedge in contrast to longitudinal subduction which, despite the simple flow field, results in complex and variable orientations from the lack of strong horizontal shear. Splitting observations from the High Lava Plains region with the Northwest U.S. are in good agreement with the trench-normal laboratory predictions of strain alignment. Alignment within plume heads are found to exhibit striking tangential patterns that are perpendicular to the plume-driven flow. While we show that

  6. A 1D pulse wave propagation model of the hemodynamics of calf muscle pump function.

    PubMed

    Keijsers, J M T; Leguy, C A D; Huberts, W; Narracott, A J; Rittweger, J; van de Vosse, F N

    2015-07-01

    The calf muscle pump is a mechanism which increases venous return and thereby compensates for the fluid shift towards the lower body during standing. During a muscle contraction, the embedded deep veins collapse and venous return increases. In the subsequent relaxation phase, muscle perfusion increases due to increased perfusion pressure, as the proximal venous valves temporarily reduce the distal venous pressure (shielding). The superficial and deep veins are connected via perforators, which contain valves allowing flow in the superficial-to-deep direction. The aim of this study is to investigate and quantify the physiological mechanisms of the calf muscle pump, including the effect of venous valves, hydrostatic pressure, and the superficial venous system. Using a one-dimensional pulse wave propagation model, a muscle contraction is simulated by increasing the extravascular pressure in the deep venous segments. The hemodynamics are studied in three different configurations: a single artery-vein configuration with and without valves and a more detailed configuration including a superficial vein. Proximal venous valves increase effective venous return by 53% by preventing reflux. Furthermore, the proximal valves shielding function increases perfusion following contraction. Finally, the superficial system aids in maintaining the perfusion during the contraction phase and reduces the refilling time by 37%. PMID:25766693

  7. Phase transitions at strong coupling in the 2+1-d abelian Higgs model

    NASA Astrophysics Data System (ADS)

    MacKenzie, R. B.; Nebia-Rahal, Faïza; Paranjape, M. B.

    2013-12-01

    We study, using numerical Monte-Carlo simulations, an effective description of the 2+1 dimensional Abelian Higgs model which is valid at strong coupling, in the broken symmetry sector. In this limit, the massive gauge boson and the massive neutral Higgs decouple leaving only the massive vortices. The vortices have no long range interactions. We find a phase transition as the mass of the vortices is made lighter and lighter. At the transition, the contributions to the functional integral come from a so-called infinite vortex anti-vortex loop. Adding the Chern-Simons term simply counts the linking number between the vortices. We find that the Wilson loop exhibits perimeter law behaviour in both phases, although the polarization cloud increases by an order of magnitude at the transition. We also study the 't Hooft loop. We find the 't Hooft loop exhibits perimeter law behaviour in the presence of the Chern-Simons term but is trivial in its absence. Thus we have a theory with perimeter law for both the Wilson loop and the 't Hooft loop, but contains no massless particles.

  8. A 1D pulse wave propagation model of the hemodynamics of calf muscle pump function

    PubMed Central

    Keijsers, J M T; Leguy, C A D; Huberts, W; Narracott, A J; Rittweger, J; van de Vosse, F N

    2015-01-01

    The calf muscle pump is a mechanism which increases venous return and thereby compensates for the fluid shift towards the lower body during standing. During a muscle contraction, the embedded deep veins collapse and venous return increases. In the subsequent relaxation phase, muscle perfusion increases due to increased perfusion pressure, as the proximal venous valves temporarily reduce the distal venous pressure (shielding). The superficial and deep veins are connected via perforators, which contain valves allowing flow in the superficial-to-deep direction. The aim of this study is to investigate and quantify the physiological mechanisms of the calf muscle pump, including the effect of venous valves, hydrostatic pressure, and the superficial venous system. Using a one-dimensional pulse wave propagation model, a muscle contraction is simulated by increasing the extravascular pressure in the deep venous segments. The hemodynamics are studied in three different configurations: a single artery–vein configuration with and without valves and a more detailed configuration including a superficial vein. Proximal venous valves increase effective venous return by 53% by preventing reflux. Furthermore, the proximal valves shielding function increases perfusion following contraction. Finally, the superficial system aids in maintaining the perfusion during the contraction phase and reduces the refilling time by 37%. © 2015 The Authors. International Journal for Numerical Methods in Biomedical Engineering published by John Wiley & Sons Ltd. PMID:25766693

  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. 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

  11. Quantization of Energy in 1D Model of Crystal Lattice with Local Perturbations Induced by Ion-Beam Impact

    NASA Astrophysics Data System (ADS)

    Minárik, Stanislav

    2015-08-01

    In this paper, we propose theoretical basis for investigation of dynamics of acoustic phonons in a thin layers containing nano-scale structural inhomogeneities. One-dimensional (1D) model of a crystal lattice was considered to reveal specific features of the processes arising in such system of phonons in equilibrium state. Standard quantization of energy of 1D ionic chain vibrating by acoustic frequencies was carried out while the presence of foreign ions in this chain was taken into account. Since only two dimensions are dominant in thin layers, only longitudinal vibrations of the chain in the plane of the layer were considered. Results showed that foreign ions affect the energy quantization. Phonon-phonon interaction between two phonon`s modes can be expected if the mass of foreign ions implanted by ion-beam differs from the mass of ions in the initial layer. We believe that the obtained results will help to understand the character of phonon systems in nanostructured thin layers prepared by ion-bem technology, and will allow better explain some thermal and electrical phenomena associated with lattice dynamics in such layers.

  12. 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).

  13. INVESTIGATION OF SHIP-PLUME CHEMISTRY USING A NEWLY-DEVELOPED PHOTOCHEMICAL/DYNAMIC SHIP-PLUME MODEL

    NASA Astrophysics Data System (ADS)

    Song, C. H.; Kim, H.

    2009-12-01

    A photochemical/dynamic ship-plume model, which can consider the ship-plume dynamics and ship-plume chemistry, simultaneously, was developed to gain a better understanding of atmospheric impact of ship emissions. The model performance was then evaluated by a comparison with the observation data measured on a NOAA WP-3D flight during the Intercontinental Transport and Chemical Transformation 2002 (ITCT 2K2) airborne field campaign. The simulation conditions and parameters, such as meteorological conditions, emission rates, and background gas and particulate species concentrations, were obtained directly and/or inferred indirectly from the ITCT 2K2 observation data. The model-predicted concentrations showed good agreement with the observed concentrations of five ambient species (NOx, NOy, ozone, HNO3, and H2SO4) at the eight plume transects by the WP-3D flight with strong correlations around the 1:1 line (0.64≤R≤0.85). In addition, a set of tests were carried out to approximate the magnitude of the reaction probability of HNO3 onto sea-salt particles in the model-observation comparison framework. These results suggest that the reaction probability of HNO3 onto sea-salt particles may be in the order of 0.05-0.1. The equivalent NOx lifetime throughout the “entire plume” was also estimated from photochemical/dynamic ship-plume modeling. The NOx lifetimes estimated throughout the entire ship plume ranged from 2.64 hrs to 3.76 hrs under stable to neutral stability conditions. The short NOx lifetime over the entire ship plume clearly shows that the ship-plume chemistry shortens the NOx lifetime considerably. Therefore, the ship-plume chemistry model should be used to model the changes in ship-plume chemical compositions and better evaluate the atmospheric impact of ocean-going ship emissions.

  14. Investigation of ship-plume chemistry using a newly-developed photochemical/dynamic ship-plume model

    NASA Astrophysics Data System (ADS)

    Kim, H. S.; Song, C. H.; Park, R. S.; Huey, G.; Ryu, J. Y.

    2009-10-01

    A photochemical/dynamic ship-plume model, which can consider the ship-plume dynamics and ship-plume chemistry, simultaneously, was developed to gain a better understanding of atmospheric impact of ship emissions. The model performance was then evaluated by a comparison with the observation data measured on a NOAA WP-3D flight during the Intercontinental Transport and Chemical Transformation 2002 (ITCT 2K2) airborne field campaign. The simulation conditions and parameters, such as meteorological conditions, emission rates, and background gas and particulate species concentrations, were obtained directly and/or inferred indirectly from the ITCT 2K2 observation data. The model-predicted concentrations showed good agreement with the observed concentrations of five ambient species (NOx, NOy, ozone, HNO3, and H2SO4) at the eight plume transects by the WP-3D flight with strong correlations around the 1:1 line (0.64≤R≤0.85). In addition, a set of tests were carried out to approximate the magnitude of the reaction probability of HNO3 onto sea-salt particles in the model-observation comparison framework. These results suggest that the reaction probability of HNO3 onto sea-salt particles may be in the order of 0.05-0.1. The equivalent NOx lifetime throughout the "entire plume" was also estimated from photochemical/dynamic ship-plume modeling. The NOx lifetimes estimated throughout the entire ship plume ranged from 2.64 h to 3.76 h under stable to neutral stability conditions. The short NOx lifetime over the entire ship plume clearly shows that the ship-plume chemistry shortens the NOx lifetime considerably. Therefore, the ship-plume chemistry model should be used to model the changes in ship-plume chemical compositions and better evaluate the atmospheric impact of ocean-going ship emissions.

  15. Short time-scale analysis of the NW Mediterranean ecosystem during summer-autumn transition: A 1D modelling approach

    NASA Astrophysics Data System (ADS)

    Raybaud, V.; Nival, P.; Prieur, L.

    2011-01-01

    Modelling was used as a tool to better understand the physical and biological processes observed during the multidisciplinary cruise DYNAPROC 2 (DYNAmic of rapid PROCesses in the water column), which took place in the Ligurian Sea in September-October 2004. The aim of the cruise was to study the short time-scale physical and biological processes that occur when the ecosystem switches from summer oligotrophy to autumnal mesotrophy. In this study, we have tested two 1D physical-biological coupled models. The first was a classical model in which surface layer dynamics were obtained using the turbulent kinetic energy model of Gaspar [Gaspar et al., 1990]. The simulated food-web took into account ten state variables: three nutrients, three classes of phytoplankton, two classes of zooplankton and two types of detritus. The second model (called IDA, Isopycnals Depth Adjustment) was based on the initial one but it took into account the measured variations of isopycnals depths. The results showed that the IDA model most efficiently reproduced the observed ecosystem dynamics. We have therefore used the IDA model to show that physical processes observed during the cruise had a major effect on biological compartment, mainly on nano- and picophytoplankton.

  16. Spontaneous formation of vorticity staircase and multiple jets in a 1D barotropic model with parameterized eddy mixing

    NASA Astrophysics Data System (ADS)

    Zhu, D.; Nakamura, N.

    2009-12-01

    Spontaneous formation of a vorticity staircase and multiple jets is simulated using a one dimensional barotropic model on a beta-plane with parameterized eddy mixing. The model represents nearly inviscid geostrophic turbulence characterized by a uniform forcing of pseudomomentum, nonuniform dissipation due to mixing, and no frictional damping of the mean flow. The dissipation of pseudomomentum (diffusive flux of vorticity) is modeled with the effective diffusivity parameterization proposed recently by Ferrari and Nikurashin(2009). Rossby wave dynamics and upscale energy cascade are not modeled explicitly but implicit in the parameterization. The parameterized effective diffusivity is a decreasing function of squared vorticity gradient, revealing the active role of (potential) vorticity gradient as a barrier to mixing, consistent with the Rossby elasticity idea. Not only does the parameterized diffusivity agree well with the effective diffusivity of a direct numerical simulation, but it allows the 1D model to reproduce other salient features of the direct simulation, most notably the formation of a welldefined vorticity staircase from a uniform vorticity gradient, through inhomogeneous mixing of vorticity. The staircase formation starts as a small-scale, antidiffusive instability in vorticity gradient that develops when the eddy scale is comparable to the Rhines scale. This spawns numerous gaps (barriers) in diffusivity and corresponding small steps in vorticity, but many of them become unstable and disappear later, until a few stable ones remain. The final number of barriers (vorticity steps) is predictable to a good approximation with a few model parameters.

  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. 2D Axisymmetric vs 1D: A PIC/DSMC Model of Breakdown in Triggered Vacuum Spark Gaps

    NASA Astrophysics Data System (ADS)

    Moore, Stan; Moore, Chris; Boerner, Jeremiah

    2015-09-01

    Last year at GEC14, we presented results of one-dimensional PIC/DSMC simulations of breakdown in triggered vacuum spark gaps. In this talk, we extend the model to two-dimensional axisymmetric and compare the results to the previous 1D case. Specially, we vary the fraction of the cathode that emits electrons and neutrals (holding the total injection rates over the cathode surface constant) and show the effects of the higher dimensionality on the time to breakdown. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U. S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  19. Diurnal variation of stratospheric and lower mesospheric HOCl, ClO and HO2 at the equator: comparison of 1-D model calculations with measurements by satellite instruments

    NASA Astrophysics Data System (ADS)

    Khosravi, M.; Baron, P.; Urban, J.; Froidevaux, L.; Jonsson, A. I.; Kasai, Y.; Kuribayashi, K.; Mitsuda, C.; Murtagh, D. P.; Sagawa, H.; Santee, M. L.; Sato, T. O.; Shiotani, M.; Suzuki, M.; von Clarmann, T.; Walker, K. A.; Wang, S.

    2013-08-01

    The diurnal variation of HOCl and the related species ClO, HO2 and HCl measured by satellites has been compared with the results of a one-dimensional photochemical model. The study compares the data from various limb-viewing instruments with model simulations from the middle stratosphere to the lower mesosphere. Data from three sub-millimetre instruments and two infrared spectrometers are used, namely from the Sub-Millimetre Radiometer (SMR) on board Odin, the Microwave Limb Sounder (MLS) on board Aura, the Superconducting Submillimeter-wave Limb-Emission Sounder (SMILES) on the International Space Station, the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) on board ENVISAT, and the Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS) on board SCISAT. Inter-comparison of the measurements from instruments on sun-synchronous satellites (SMR, MLS, MIPAS) and measurements from solar occultation instruments (ACE-FTS) is challenging since the measurements correspond to different solar zenith angles (or local times). However, using a model which covers all solar zenith angles and data from the SMILES instrument which measured at all local times over a period of several months provides the possibility to verify the model and to indirectly compare the diurnally variable species. The satellite data were averaged for latitudes of 20° S to 20° N for the SMILES observation period from November 2009 to April 2010 and were compared at three altitudes: 35, 45 and 55 km. Besides presenting the SMILES data, the study also shows a first comparison of the latest MLS data (version 3.3) of HOCl, ClO, and HO2 with other satellite observations, as well as a first evaluation of HO2 observations made by Odin/SMR. The MISU-1D model has been carefully initialised and run for conditions and locations of the observations. The diurnal cycle features for the species investigated here are generally well reproduced by the model. The satellite observations

  20. Natural hydrocarbon emission estimates based on Landsat data as an input to a regional ozone photochemical model

    NASA Technical Reports Server (NTRS)

    Middleton, E. M.; Gervin, J. C.; Salop, J.

    1982-01-01

    Landsat-derived forest cover data were employed with non-methane hydrocarbon (NMHC) emission rates in a model to quantify summer forest ozone production for the Tidewater Region of Virginia. The areal extent of the three major forest types - coniferous, deciduous, and mixed - were determined from Landsat data on two adjacent scenes, using an unsupervised approach to spectral signature development. The forest type results from both data sets were verified in an extensive accuracy assessment and merged to provide regional statistics for total acreages, percent forest, and error rates. The Landsat statistics were incorporated into forest type emission factor equations to produce an estimated emission rate for natural hydrocarbons from forests. This estimate, along with measured rates for nitrogen oxides and NMHC from anthropogenic sources, was provided as input to computer simulations of atmospheric ozone generation for the Tidewater Region using a photochemical oxident model.

  1. Modeling of simulated photochemical smog with kinetic mechanisms. Volume 2. Chemk: a computer modeling scheme for chemical kinetics. Final report, July 1978-September 1979

    SciTech Connect

    Whitten, G.Z.; 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. Individual compounds for which specific experiments were simulated and mechanisms developed include the following: formaldehyde, acetaldehyde, ethylene, propylene, butane, and toluene. Volume 2 contains the user's manual and coding for a chemical kinetics computer program, CHEMK.

  2. 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.

  3. 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

  4. 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.

  5. 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

    2016-07-01

    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.

  6. FORest Canopy Atmosphere Transfer (FORCAsT) 1.0: a 1-D model of biosphere-atmosphere chemical exchange

    NASA Astrophysics Data System (ADS)

    Ashworth, K.; Chung, S. H.; Griffin, R. J.; Chen, J.; Forkel, R.; Bryan, A. M.; Steiner, A. L.

    2015-11-01

    Biosphere-atmosphere interactions play a critical role in governing atmospheric composition, mediating the concentrations of key species such as ozone and aerosol, thereby influencing air quality and climate. The exchange of reactive trace gases and their oxidation products (both gas and particle phase) is of particular importance in this process. The FORCAsT (FORest Canopy Atmosphere Transfer) 1-D model is developed to study the emission, deposition, chemistry and transport of volatile organic compounds (VOCs) and their oxidation products in the atmosphere within and above the forest canopy. We include an equilibrium partitioning scheme, making FORCAsT one of the few canopy models currently capable of simulating the formation of secondary organic aerosols (SOAs) from VOC oxidation in a forest environment. We evaluate the capability of FORCAsT to reproduce observed concentrations of key gas-phase species and report modeled SOA concentrations within and above a mixed forest at the University of Michigan Biological Station (UMBS) during the Community Atmosphere-Biosphere Interactions Experiment (CABINEX) field campaign in the summer of 2009. We examine the impact of two different gas-phase chemical mechanisms on modelled concentrations of short-lived primary emissions, such as isoprene and monoterpenes, and their oxidation products. While the two chemistry schemes perform similarly under high-NOx conditions, they diverge at the low levels of NOx at UMBS. We identify peroxy radical and alkyl nitrate chemistry as the key causes of the differences, highlighting the importance of this chemistry in understanding the fate of biogenic VOCs (bVOCs) for both the modelling and measurement communities.

  7. 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.

  8. 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.

  9. Novel phase-space Monte-Carlo method for quench dynamics in 1D and 2D spin models

    NASA Astrophysics Data System (ADS)

    Pikovski, Alexander; Schachenmayer, Johannes; Rey, Ana Maria

    2015-05-01

    An important outstanding problem is the effcient numerical computation of quench dynamics in large spin systems. We propose a semiclassical method to study many-body spin dynamics in generic spin lattice models. The method, named DTWA, is based on a novel type of discrete Monte-Carlo sampling in phase-space. We demonstare the power of the technique by comparisons with analytical and numerically exact calculations. It is shown that DTWA captures the dynamics of one- and two-point correlations 1D systems. We also use DTWA to study the dynamics of correlations in 2D systems with many spins and different types of long-range couplings, in regimes where other numerical methods are generally unreliable. Computing spatial and time-dependent correlations, we find a sharp change in the speed of propagation of correlations at a critical range of interactions determined by the system dimension. The investigations are relevant for a broad range of systems including solids, atom-photon systems and ultracold gases of polar molecules, trapped ions, Rydberg, and magnetic atoms. This work has been financially supported by JILA-NSF-PFC-1125844, NSF-PIF-1211914, ARO, AFOSR, AFOSR-MURI.

  10. 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.

  11. 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.

  12. A 1D-ecosystem model for pelagic waters in the southern Baltic Sea. Numerical simulations (future decades)

    NASA Astrophysics Data System (ADS)

    Dzierzbicka-Glowacka, L.; Maciejewska, A.; Osiński, R.; Jakacki, J.; Jędrasik, J.

    2009-04-01

    This paper presents a one-dimensional Ecosystem Model. Mathematically, the pelagic variables in the model are described by a second-order partial differential equation of the diffusion type with biogeochemical sources and sinks. The temporal changes in the phytoplankton biomass are caused by primary production, respiration, mortality, grazing by zooplankton and sinking. The zooplankton biomass is affected by ingestion, excretion, respiration, fecal production, mortality, and carnivorous grazing. The changes in the pelagic detritus concentration are determined by input of: dead phytoplankton and zooplankton, natural mortality of predators, fecal pellets, and sinks: sedimentation, zooplankton grazing and decomposition. The nutrient concentration is caused by nutrient release, zooplankton excretion, predator excretion, detritus decomposition and benthic regeneration as sources and by nutrient uptake by phytoplankton as sinks. However, the benthic detritus is described by phytoplankton sedimentation, detritus sedimentation and remineralisation. The particulate organic carbon concentration is determined as the sum of phytoplankton, zooplankton and dead organic matter (detritus) concentrations. The 1D ecosystem model was used to simulate the seasonal dynamics of pelagic variables (phytoplankton, zooplankton, pelagic detritus and POC) in the southern Baltic Sea (Gdańsk Deep, Bornholm Deep and Gotland Deep). The calculations were made assuming: 1) increase in the water temperature in the upper layer - 0.008oC per year, 2) increase in the available light - 0.2% per year. Based on this trend, daily, monthly and seasonal and annual variability of phytoplankton, zooplankton, pelagic detritus and particulate organic carbon in different areas of the southern Baltic Sea (Gdańsk Deep, Borrnholm Deep and Gotland Deep) in the euphotic layer was calculated for the years: 2000, 2010, 2020, 2030, 2040 and 2050.

  13. 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.

  14. Combined effects of organic reactivity and NMHC/NO x ratio on photochemical oxidant formation—a modeling study

    NASA Astrophysics Data System (ADS)

    Dodge, Marcia C.

    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 (NO x) mixtures. The model was then adjusted to conditions that more closely approximated those of the urban environment. The adjusted model was used to assess the relative reactivity of various organic constituents when 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, formaldehyde and acetaldehyde. The findings of this study indicate that the reactivity of organics depends strongly on the hydrocarbon-to-NO x ratio of the mix in which they are reacting. At low hydrocarbon-to-NO x ratios, the organics investigated in this study displayed significantly different O 3-forming potential. At high hydrocarbon-to-NO x ratios, however, all organics exhibited comparable O 3-forming potential.

  15. A 1-D Cryothermal Model of Ceres’ Megaregolith: Predictions for Surface Vapor Flux, Subsurface Temperatures and Pore Ice Distribution

    NASA Astrophysics Data System (ADS)

    Reynolds, Dylan; Wood, Stephen E.; Bapst, Jonathan; Mehlhaff, Joshua; Griffiths, Stephen G.

    2014-11-01

    We have applied a self-consistent 1-D model for heat diffusion, vapor diffusion, and ice condensation/sublimation, and surface energy balance to investigate our hypothesis for the source of the recently observed water vapor around Ceres [1]. As described in a companion presentation [2], we find that the estimated global flux of 6 kg/s can be produced by steady-state sublimation of subsurface ice driven by the “geothermal” temperature gradient for a heat flux of 1 mW/m2 - the value estimated for a chondritic abundance of heat-producing elements [3,4]. We will present a detailed description of our Ceres cryothermal diffusion model and comparisons with previous models. One key difference is the use of a new physics-based analytic model (‘MaxRTCM’) for calculating the thermal conductivity (Kth) of planetary regolith [5] that has been validated by comparisons to a wide range of laboratory data [6]. MaxRTCM predicts much lower Kth values in the upper regolith than those in previous work [3]. It also accounts for a process first modeled in a study of unstable equatorial ground ice on Mars [7,8], where vapor diffusing up from a receding ice table toward the surface can recondense at shallower depths - eventually forming a steady-state profile of pore ice volume fraction that increases with depth and maintains a constant flux of vapor at all depths [7]. Using MaxRTCM we calculate the corresponding Kth(z) profiles and will present predictions and implications of the resulting temperature profile in the upper few kilometers of Ceres’ megaregolith.References: [1] Küppers et al. (2014), Nature, 505(7484), 525-527. [2] Wood et al., 2014, this meeting. [3] Fanale & Salvail (1989) Icarus 82, 97-110. [4] McCord and Sotin (2005) JGR 110, E05009. [5] Wood (2013) LPSC Abs. 44, 3077. [6] Wood (2014), Icarus, in revision. [7] Mellon et al. (1997), JGR, 102, 19357-69. [8] Clifford (1993), JGR, 98, 10973-11016.

  16. 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

  17. Mg line formation in late-type stellar atmospheres. II. Calculations in a grid of 1D models

    NASA Astrophysics Data System (ADS)

    Osorio, Y.; Barklem, P. S.

    2016-02-01

    Context. Mg is the α element of choice for Galactic population and chemical evolution studies because it is easily detectable in all late-type stars. Such studies require precise elemental abundances, and thus departures from local thermodynamic equilibrium (LTE) need to be accounted for. Aims: Our goal is to provide reliable departure coefficients and equivalent widths in non-LTE, and for reference in LTE, for diagnostic lines of Mg studied in late-type stars. These can be used, for example, to correct LTE spectra and abundances. Methods: Using the model atom built and tested in the preceding paper in this series, we performed non-LTE radiative transfer calculations in a grid of 3945 stellar 1D atmospheric models. We used a sub-grid of 86 models to explore the propagation of errors in the recent atomic collision calculations to the radiative transfer results. Results: We obtained departure coefficients for all the levels and equivalent widths (in LTE and non-LTE) for all the radiative transitions included in the "final" model atom presented in Paper I. Here we present and describe our results and show some examples of applications of the data. The errors that result from uncertainties in the collisional data are investigated and tabulated. The results for equivalent widths and departure coefficients are made freely available. Conclusions: Giants tend to have negative abundance corrections while dwarfs have positive, though small, corrections. Error analysis results show that uncertainties related to the atomic collision data are typically on the order of 0.01 dex or less, although for few stellar models in specific lines uncertainties can be as large as 0.03 dex. As these errors are less than or on the same order as typical corrections, we expect that we can use these results to extract Mg abundances from high-quality spectra more reliably than from classical LTE analysis. Full Table 1 is only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130

  18. 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.

  19. 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

  20. A marching in space and time (MAST) solver of the shallow water equations. Part I: The 1D model

    NASA Astrophysics Data System (ADS)

    Aricò, C.; Tucciarelli, T.

    2007-05-01

    A new approach is presented for the numerical solution of the complete 1D Saint-Venant equations. At each time step, the governing system of partial differential equations (PDEs) is split, using a fractional time step methodology, into a convective prediction system and a diffusive correction system. Convective prediction system is further split into a convective prediction and a convective correction system, according to a specified approximated potential. If a scalar exact potential of the flow field exists, correction vanishes and the solution of the convective correction system is the same solution of the prediction system. Both convective prediction and correction systems are shown to have at each x - t point a single characteristic line, and a corresponding eigenvalue equal to the local velocity. A marching in space and time (MAST) technique is used for the solution of the two systems. MAST solves a system of two ordinary differential equations (ODEs) in each computational cell, using for the time discretization a self-adjusting fraction of the original time step. The computational cells are ordered and solved according to the decreasing value of the potential in the convective prediction step and to the increasing value of the same potential in the convective correction step. The diffusive correction system is solved using an implicit scheme, that leads to the solution of a large linear system, with the same order of the cell number, but sparse, symmetric and well conditioned. The numerical model shows unconditional stability with regard of the Courant-Friedrichs-Levi (CFL) number, requires no special treatment of the source terms and a computational effort almost proportional to the cell number. Several tests have been carried out and results of the proposed scheme are in good agreement with analytical solutions, as well as with experimental data.

  1. 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

  2. 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

  3. 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

  4. 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.

  5. 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}}.

  6. 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.

  7. Comparisons between satellite-derived datasets of stratospheric NOy species: using a photochemical model to account for diurnal variations

    NASA Astrophysics Data System (ADS)

    Sheese, Patrick; Walker, Kaley; McLinden, Chris; Boone, Chris; Bernath, Peter; Burrows, John; Funke, Bernd; Fussen, Didier; Manney, Gloria; Murtagh, Donal; Randall, Cora; Raspollini, Piera; Rozanov, Alexei; Russell, James; Urban, Jo; von Clarmann, Thomas; Zawodny, Joseph

    2014-05-01

    The ACE-FTS (Atmospheric Chemistry Experiment - Fourier Transform Spectrometer) instrument on the Canadian satellite SCISAT, which has been in operation now for over 10 years, has the capability of deriving stratospheric profiles of many of the NOy (NO + NO2+ NO3+ 2×N2O5+ HNO3+ HNO4+ ClONO2+ BrONO2) species. However, as a solar occultation instrument, opportunities for ACE-FTS and another given satellite instrument to observe a common air mass, can be rather limited. In the case of comparing species that exhibit significant diurnal variation, finding 'coincident' measurements can be even more difficult. In order for the measurements to be considered common-volume, the required difference between measurement times can be limitingly small. In this study, for each ACE-FTS measurement, we use a photochemical box model to simulate the diurnal variations of different NOy species over that day. The ACE-FTS NOy profiles are then scaled to the local times of coincident measurements from different satellite instruments-GOMOS, MIPAS, MLS, OSIRIS, POAM III, SAGE III, SCIAMACHY, and SMR. This allows for a much larger number of coincidences to be utilized. This study will discuss the advantages and limitations of this technique, as well as the results from comparing NO, NO2, N2O5, HNO3, and ClONO2 between ACE-FTS and other atmospheric limb sounders.

  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. 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

  10. 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

  11. A simple 1-D radiative-convective atmospheric model designed for integration into coupled models of magma ocean planets

    NASA Astrophysics Data System (ADS)

    Marcq, E.

    2012-01-01

    In order to understand the early history of telluric interiors and atmospheres during the ocean magma stage, a coupled interior-atmosphere-escape model is being developed. This paper describes the atmospheric part and its first preliminary results. A unidimensional, radiative-convective, H2O-CO2 atmosphere is modeled following a vertical T(z) profile similar to Kasting (1988) and Abe and Matsui (1988). Opacities in the thermal IR are then computed using a k-correlated code (KSPECTRUM), tabulated continuum opacities for H2O-H2O and CO2-CO2 absorption, and water or sulphuric acid clouds in the moist convective zone (whenever present). The first results show the existence of two regimes depending on the relative value of the surface temperature Ts compared to a threshold temperature Tc depending on the total gaseous inventory. For Ts < Tc, efficient blanketing results in a cool upper atmosphere, a cloud cover, and a long lifetime for the underneath magma ocean with a net thermal IR flux between 160 and 200 Wm-2. For Ts > Tc, the blanketing is not efficient enough to prevent large radiative heat loss to space through a hot, cloudless atmosphere. Our current calculations may underestimate the thermal flux in the case of hot surfaces with little gaseous content in the atmosphere.

  12. Pose Estimation using 1D Fourier Transform and Euclidean Distance Matching of CAD Model and Inspected Model Part

    NASA Astrophysics Data System (ADS)

    Zulkoffli, Zuliani; Abu Bakar, Elmi

    2016-02-01

    This paper present pose estimation relation of CAD model object and Projection Real Object (PRI). Image sequence of PRI and CAD model rotate on z axis at 10 degree interval in simulation and real scene used in this experiment. All this image is go through preprocessing stage to rescale object size and image size and transform all the image into silhouette. Correlation of CAD and PRI image is going through in this stage. Magnitude spectrum shows a reliable value in range 0.99 to 1.00 and Phase spectrum correlation shows a fluctuate graph in range 0.56 - 0.97. Euclidean distance correlation graph for CAD and PRI shows 2 zone of similar value due to almost symmetrical object shape. Processing stage of retrieval inspected PRI image in CAD database was carried out using range phase spectrum and maximum magnitude spectrum value within ±10% tolerance. Additional processing stage of retrieval inspected PRI image using Euclidean distance within ±5% tolerance also carried out. Euclidean matching shows a reliable result compared to range phase spectrum and maximum magnitude spectrum value by sacrificing more than 5 times processing time.

  13. 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.

  14. Meteorological and photochemical modeling of large-scale albedo changes in the South Coast Air Basin

    SciTech Connect

    Tran, K.T.; Mirabella, V.A.

    1998-12-31

    The effectiveness of large-scale surface albedo changes as an ozone control strategy is investigated. These albedo changes are part of the Cool Communities strategy that calls for the use of lighter colored roofing and paving materials as well as an increase in tree planting. The advanced mesoscale model MM5 was used to analyze the associated effects on ambient temperature, mixing depth and winds. The MM5 model was modified to accept surface properties derived from a satellite-based land use database. Preprocessors were also developed to allow a research-oriented model such as MM5 to be user friendly and amenable to practical, routine air quality modeling applications. Changes in ozone air quality are analyzed with the Urban Airshed Model (UAM). Results of the MM5/UAM simulations of the SCAQS August 26--28, 1987 ozone episode are presented and compared to those obtained with the CSUMM/UAM models.

  15. Prediction of changes in landslide movements induced by rainfalls: from the use of a black box model to a 1D mechanical model

    NASA Astrophysics Data System (ADS)

    Bernardie, S.; Desramaut, N.; Russo, G.; Grandjean, G.

    2012-04-01

    Predicting landslide surface displacements is a challenge for scientists, as it may help save human lives and protect individual housing or transport, energetic facilities. One of the main challenges in active landslide monitoring concerns the prediction of slope's movements in the near future. This study focuses on an innovative methodology to predict landslide surface accelerations, based on a black box tool coupled to a 1D mechanical model. These models are able to predict the evolution of the daily displacements according to the variations of precipitation. More specifically, the impulse response model allows predicting the changes in the landslide movements by computing the transfer function between the input signal (precipitation in this case) and the output signal (the displacements). The second model is based on a simple 1D mechanical assumption, with considering a viscoplastic behavior of the landslide's material, and with taking into account the evolution of the pore water pressure in time. These methods have been applied to the Super-Sauze landslide, located in the Southern French Alps, mountainous region. This site is controlled by complex hydrologic processes leading to active movements within black marls, with velocities ranging between 0.002 and 0.4 m per day. After preliminary tests, results show that the snowmelt has to be taken into account in the models, since the phenomena of freezing /thawing has an influence on the water refills, leading to movement changes. Different approaches to integrate rainfall and/or snow-melting inputs are compared and their complementarity is demonstrated. Finally, a validated methodology for predicting movement changes within landslide based on criteria of comparison between the observed and calculated velocities can be proposed. The results suggest that the impulse response model reproduces the observed data with very good accuracy, whereas the mechanical model seems to be more adapted to predict the movements

  16. 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...

  17. 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...

  18. 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.

  19. 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.

  20. 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.

  1. Comparison of a thermospheric photochemical model with Student Nitric Oxide Explorer (SNOE) observations of nitric oxide

    NASA Astrophysics Data System (ADS)

    Barth, C. A.; Bailey, S. M.

    2004-03-01

    A time-dependent thermospheric model has been used to calculate the nitric oxide density in the lower thermosphere for a 935-day period, 11 March 1998 to 30 September 2000. This model uses daily values of the observed solar soft X-ray irradiance (2-7 nm) as an energy input parameter. The model does not include an energy input from auroral electron precipitation. The results of the model calculation of nitric oxide density at 110 km were compared with observations of nitric oxide density made with the Student Nitric Oxide Explorer (SNOE) for the 935-day period. At the equator the model calculations and the observations agree very well with a linear correlation coefficient of 0.876. The correlation coefficient remains high for the altitude region 107-117 km, the region where solar soft X-rays (2-7 nm) are the major source of nitric oxide production. The comparison of the model calculations with the observations as a function of latitude show that there is excess nitric oxide poleward of 30°N and S latitude particularly during the fall-winter season. We believe that the source of this excess nitric oxide is the nitric oxide that is produced in the auroral region (65°-75°N and S geomagnetic latitude) by precipitating auroral electrons. We believe that aurorally produced nitric oxide is transported equatorward by horizontal winds. At midlatitudes the excess nitric oxide decays to about half of its initial value in one day. At times of large geomagnetic storms we believe that aurorally produced nitric oxide is transported all the way to the equator by horizontal winds. The excellent correlation of the model calculations and the SNOE observations of nitric oxide at 110 km between 30°S and 30°N support the hypothesis that solar soft X-rays are the source of the variability of nitric oxide in the thermosphere at low latitudes.

  2. 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

  3. 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. PMID:23584035

  4. 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.

  5. 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.

    1996-01-01

    The global three-dimensional measurement of long- and short-lived species from Upper Atmospheric Research Satellite (UARS) provides a unique opportunity to validate chemistry and dynamics mechanisms in the middle atmosphere. During the past three months, we focused on expanding our study of data-model comparisons to whole time periods when Cryogenic Limb Array Etalon Spectrometer (CLAES) instrument were operating.

  6. 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...

  7. 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...

  8. EXPERIMENTAL AND MODELING STUDY OF THE PHOTOCHEMICAL REACTIVITY OF HEATSET PRINTING OILS

    EPA Science Inventory

    A series of chamber experiments and computer model simulations were carried out to assess the atmospheric ozone formation potential of the heatset printing oils Magie-47 and Magie-470 relative to that of ethane. A representative major constituent of these oils, n-Pentadecane, was...

  9. 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...

  10. URBAN AEROSOL MODELING: INCORPORATION OF AN SO2 PHOTOCHEMICAL OXIDATION MODULE IN AROSOL

    EPA Science Inventory

    Modules for the conversion of sulfate has been included in the urban scale K-theory particulate model, AROSOL. Two modules are included: one is an empirical first order SO2 conversion scheme termed EMM and the other is a series of chemical kinetic reactions based on the Carbon Bo...

  11. 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.

  12. 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

  13. 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

  14. 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

  15. 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.

  16. Photochemical Modeling at Santiago, Chile (33.5° S, 70.6° W)

    NASA Astrophysics Data System (ADS)

    Jorquera, H.; Castro, J.

    2007-12-01

    The greater metropolitan region of Santiago, Chile (6.5 million inhabitants) is located in a basin with complex topography that promotes pollutant trapping below the subsidence-based thermal inversion. The (diurnal) upwind land use consists of agriculture activities that contribute to the emissions of the city itself. Santiago is the 7th Latin American city in population, and 40% of the country's inhabitants live there. Steady economic growth in the last 20 years has resulted in a fast increment of car ownership, industrial activity, fuel consumption, etc. As a result of air quality regulations, ambient PM10 and PM2.5 concentrations have been reduced significantly between 1990 and 2000. However, ozone ambient concentrations do not show a downward trend, and the 98th percentile of the 8-h moving average consistently exceeds the 120 (μg/m3) standard. Also, the current annual ambient PM2.5 concentration is near 30 (μg/m3), twice the US standard. We have developed an emissions inventory for the greater metropolitan region of Santiago (base year 2005), including agriculture and biogenic emissions at the regional scale. We use the MM5 mesoscale modeling system coupled with the CAMx air quality model to: a) assess the quality of the emission inventory database, b) improve emission estimates by means of inverse modeling, c) model ozone formation and transport, with an emphasis on estimating ozone sensitivities with respect to different geographical regions and emission sources. We do this analysis for two multi-day episodes in spring and summer seasons. Results of constraining CO, VOC, NOx and primary PM emissions with ambient monitoring data using a Kalman filter approach will be shown, along with the results for the ozone sensitivity estimates.

  17. In Situ Measurements of the NO2/NO Ratio for Testing Atmospheric Photochemical Models

    NASA Technical Reports Server (NTRS)

    Jaegle, L.; Webster, C. R.; May, R. D.; Fahey, D. W.; Woodbridge, E. L.; Keim, E. R.; Gao, R. S.; Proffitt, M. H.; Stimpfle, R. M.; Salawitch, R. J.

    1994-01-01

    Simultaneous in situ measurements of NO2, NO, O3, ClO, pressure and temperature have been made for the first time, presenting a unique opportunity to test our current understanding of the photochemistry of the lower stratosphere. Data were collected from several flights of the ER-2 aircraft at mid-latitudes in May 1993 during NASA's Stratospheric Photochemistry, Aerosols and Dynamics Expedition (SPADE). The daytime ratio of NO2/NO remains fairly constant at 19 km with a typical value of 0.68 and standard deviation of +/- 0.17. The ratio observations are compared with simple steady-state calculations based on laboratory-measured reaction rates and modeled NO2 photolysis rates. At each measurement point the daytime NO2/NO with its measurement uncertainty overlap the results of steady-state calculations and associated uncertainty. However, over all the ER-2 flights examined, the model systematically overestimates the ratio by 40% on average. Possible sources of error are examined in both model and measurements. It is shown that more accurate laboratory determinations of the NO + O3 reaction rate and of the NO2 cross-sections in the 200-220 K temperature range characteristic of the lower stratosphere would allow for a more robust test of our knowledge of NO(x) photochemistry by reducing significant sources of uncertainties in the interpretation of stratospheric measurements. The present measurements are compared with earlier observations of the ratio at higher altitudes.

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

    NASA Astrophysics Data System (ADS)

    Kwok, R. H. F.; Napelenok, S. L.; Baker, K. R.

    2013-12-01

    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 ambient levels and deposited amounts of primary and secondary inorganic PM2.5. Confidence in this approach is established by comparing ISAM source contribution estimates to emissions zero-out simulations recognizing that these approaches are not always expected to provide the same answer. The comparisons are expected to be most similar for more linear processes such as those involving primary emissions of PM2.5 and most different for non-linear systems like ammonium nitrate formation. Primarily emitted PM2.5 (e.g. elemental carbon), sulfur dioxide, ammonia, and nitrogen oxide contribution estimates compare well to zero-out estimates for ambient concentration and deposition. PM2.5 sulfate ion relationships are strong, but nonlinearity is evident and shown to be related to aqueous phase oxidation reactions in the host model. ISAM and zero-out contribution estimates are less strongly related for PM2.5 ammonium nitrate, resulting from instances of non-linear chemistry and negative responses (increases in PM2.5 due to decreases in emissions). ISAM is demonstrated in the context of an annual simulation tracking well characterized emissions source sectors and boundary conditions shows source contributions generally following bulk model seasonal trends and spatially corresponding to the geographic distribution of identified emissions source sectors.

  19. Photochemical Pollution Modeling of Ozone at Metropolitan Area of Porto Alegre - RS/Brazil using WRF/Chem

    NASA Astrophysics Data System (ADS)

    Cuchiara, G. C.; Carvalho, J.

    2013-05-01

    One of the main problems related to air pollution in urban areas is caused by photochemical oxidants, particularly troposphere ozone (O3), which is considered a harmful substance. The O3 precursors (carbon monoxide CO, nitrogen oxides NOx and hydrocarbons HCs) are predominantly of anthropogenic origin in these areas, and vehicles are the main emission sources. Due to the increased urbanization and industrial development in recent decades, air pollutant emissions have increased likewise, mainly by mobile sources in the highly urbanized and developed areas, such as the Metropolitan Area of Porto Alegre-RS (MAPA). According to legal regulations implemented in Brazil in 2005, which aimed at increasing the fraction of biofuels in the national energy matrix, 2% biodiesel were supposed to be added to the fuel mixture within three years, and up to 5% after eight years of implementation of these regulations. Our work performs an analysis of surface concentrations for O3, NOx, CO, and HCs through numerical simulations with WRF/Chem (Weather Research and Forecasting model with Chemistry). The model is validated against observational data obtained from the local urban air quality network for the period from January 5 to 9, 2009 (96 hours). One part of the study focused on the comparison of simulated meteorological variables, to observational data from two stations in MAPA. The results showed that the model simulates well the diurnal evolution of pressure and temperature at the surface, but is much less accurate for wind speed. Another part included the evaluation of model results of WRF/Chem for O3 versus observed data at air quality stations Esteio and Porto Alegre. Comparisons between simulated and observed O3 revealed that the model simulates well the evolution of the observed values, but on many occasions the model did not reproduce well the maximum and minimum concentrations. Finally, a preliminary quantitative sensitivity study on the impact of biofuel on the

  20. Fine-scale photochemical modeling of ozone and ammonium nitrate over California during CalNex 2010

    NASA Astrophysics Data System (ADS)

    Kelly, J.; Baker, K.; Misenis, C.; Gilman, J.; De Gouw, J. A.; Lerner, B. M.; Neuman, J. A.; Nowak, J. B.; Pollack, I. B.; Roberts, J. M.; Ryerson, T. B.; Warneke, C.; Williams, E. J.; Veres, P. R.; Murphy, J. G.; Markovic, M. Z.; VandenBoer, T. C.; Weber, R.

    2013-12-01

    Multiple areas of California are designated as nonattainment of the ozone and PM2.5 National Ambient Air Quality Standards making air quality (AQ) modeling for California an important aspect of national-scale modeling for EPA rulemaking. Fine-scale AQ modeling for key population centers in California is also useful to inform health and exposure studies. However, AQ modeling is challenging in California due to complex emissions, terrain, meteorology, and chemistry, and understanding model performance is difficult using routine network observations alone. In May-June 2010, the CalNex field study was conducted in California to answer important scientific questions related to air quality and climate processes. The field study provides a rich observational dataset for probing the performance of fine-scale AQ simulations and identifying causes of model performance limitations. In this study, we conduct fine-scale (4-km horizontal resolution) photochemical model simulations for California during May-June 2010 using the Community Multiscale Air Quality model with the Carbon Bond 05 and SAPRC07 gas-phase chemical mechanisms. Model predictions are then evaluated using observations from the CalNex ground, aircraft, and ship platforms in addition routine network observations. Our model evaluations focus on understanding predictions of ammonium nitrate and ozone concentrations given the importance of these pollutants to California's air quality. Model predictions of ammonium and nitrate have a slight low bias but are strongly correlated with network observations in Riverside and Bakersfield. The model tends to under-predict NH3 concentrations observed on the NOAA P3 aircraft near large NH3 sources in the San Joaquin Valley (SJV) and South Coast Air Basin (SoCAB). At the SJV ground site, NH3 predictions are of similar magnitude as observations, while NH3 tends to be over-predicted at the Pasadena ground site. Nitric acid is over-predicted during the day at the SJV ground site

  1. In situ measurements of the NO2/NO ratio for testing atmospheric photochemical models

    NASA Technical Reports Server (NTRS)

    Jaegle, L.; Webster, C. R.; May, R. D.; Fahey, D. W.; Woodbridge, E. L.; Keim, E. R.; Gao, R. S.; Proffitt, M. H.; Stimpfle, R M.; Salawitch, R. J.

    1994-01-01

    Simultaneous in situ measurements of NO2, NO, O3, ClO, pressure and temperature have been made for the first time, presenting a unique opportunity to test our current understanding of the photochemistry of the lower stratospere. Data were collected from several flights of the ER-2 aircraft at mid-latitudes in May 1993 during NASA's Stratospheric Photochemistry, Aerosols and Dynamics Expedition (SPADE). The daytime ratio of NO2/NO remains fairly constant at 19 km with a typical value of 0.68 and standard deviation of +/- 17. The ratio observations are compared with simple steady-state calculations based on laboratory-measured reaction rates and modeled NO2 photolysis rates. At each measurement point the daytime NO2/NO with its measurements uncertainty overlap the results of steady-state caculations and associated uncertainty. Possible sources of error are examined in both model and measurements. It is shown that more accurate laboratory determinations of the NO + 03 reaction rate and of the NO2 cross-sections in the 200-220 K temperature range characteristic of the lower stratosphere would allow for a more robust test of our knowledge of NO(X) phtochemistry by reducing significant sources if uncertainties in the interpretation of statospheric measurements.

  2. Photochemical oxidation of coals and some selected model compounds by using copper(II) chloride

    SciTech Connect

    Yilmaz, M.

    1999-12-01

    The H-donor ability of different rank coals was examined by using a copper(II)chloride-acetonitrile system as the dehydrogenator. A bituminous coal and two lignites were irradiated in the UV in the presence of copper(II)chloride in acetonitrile. The coal was dehydrogenated while the Cu(II) was reduced to CU(I). Considerable amounts of aliphatic or alicyclic hydrogen were removed from the coals. In the process, while the oxygen contents of coals do not increase, more condensed aromatic products occur. It was concluded that lignites are better reducing agents than bituminous coals. A photooxidation mechanism is proposed on the basis of the model compound reaction. Photooxidation of alcohols (ethanol, 2-propanol, benzyl alcohol, 4-hydroxybenzyl alcohol, and diphenyl carbinol), a hydroaromatic compound (tetrahydronaphthalene), and an aromatic ether (dibenzyl ether) was performed under similar reaction conditions.

  3. Venus Night Airglow: Ground-Based Detection of OH, Observations of O2 Emissions, and Photochemical Model

    NASA Astrophysics Data System (ADS)

    Krasnopolsky, Vladimir A.

    2009-09-01

    Venus nightglow was observed at NASA IRTF using a high-resolution long-slit spectrograph CSHELL on 13/01/2009 and 21/06/2009, when Venus was near its maximum solar elongations and geocentric velocities. The instrument resolution element at resolving power of 4x104 is smaller than the Doppler shift, and careful subtraction of telluric emission and absorption lines can be made. The observations refer to LT=21:30 and 4:00 on Venus, respectively. Both total intensity of the O2 airglow at 1.27 mu and its rotational temperature are extracted from each observed spectrum. The observed O2 nightglow intensity is 0.7 MR at 21:30 and between 25°S and 25°N declining to 0.35 MR at 35°S and 35°N, and the temperature increases from 175±5 K near the equator to 210±5 K at ±35°. We have found a narrow window at 2.94 mu that covers the OH (1-0) P1(4.5) and (2-1) Q1(1.5) airglow lines. The detected line intensities are converted into the band intensities assuming the rotational temperature of 250 K from the VEX OH observations. The OH (1-0) band is 5.5±1.7 kR and 8.8±2.0 kR at LT = 21:30 and 4:00, respectively. The OH (2-1) band is 2.3±0.7 kR at 4:00. These intensities are weaker than those observed by VEX by a factor of 1.4-2. A photochemical model for the nightglow of O2, NO, and OH has been made. The model extends from 80 to 120 km and involves 54 reactions of 21 species with fluxes of O, N, and H at 120 km as input parameters. While the observed OH vibrational distribution is favorable for the nightglow excitation by O+HO2->OH*+O2, the model shows that the rate of H+O3->OH*+O2 is higher by an order of magnitude. The model agrees with the observations for preferential quenching of OH (v=4-9) to v=0-2 in collisions with CO2. This work is supported by PAST.

  4. 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

  5. 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.

  6. 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.

  7. Realizing the recognition features of model antipsychotic compounds by important protein: Photochemical and computational studies.

    PubMed

    Ding, Fei; Peng, Wei; Chao, Ming-Wei; Peng, Yu-Kui

    2015-07-01

    Phenothiazine and its derivatives are the most effective antipsychotic drugs. They have been used in the treatment of serious mental and emotional symptoms including bipolar disorder, organic psychoses, psychotic depression and schizophrenia. However, these drugs cause serious side effects such as akathisia, hyperprolactinaemia and neuroleptic malignant syndrome. In this work we investigated the molecular recognition of two typical phenothiazine compounds, phenosafranin and safranin O by the most pivotal heme protein hemoglobin using steady state and time-resolved fluorescence, extrinsic 8-anilino-1-naphthalenesulfonic acid (ANS) fluorescent probe, circular dichroism (CD) along with computational modeling. Results show phenothiazines complex with protein via formation of adducts at 298 K with moderate strengths of 3.555×10(4) M(-1) and 2.567×10(4) M(-1) for the hemoglobin-phenosafranin and hemoglobin-safranin O, respectively. We also found phenothiazines were effectors at the protein allosteric site, which affects the allosteric equilibrium. Further, time-resolved fluorescence and hydrophobic ANS experiments showed the static mechanism is dominated for the shrinkage in the fluorescence intensity of β-37 Trp residue at the α1β2 interface. The stoichiometric proportion of the protein-drug adduct is 1:1, as derived from Job's plot. Several crucial noncovalent bonds, including hydrogen bonds, π-π stacking and hydrophobic interactions played a major role in stabilizing the noncovalent conjugates. Based on three-dimensional fluorescence, we concluded that the conformation of hemoglobin is partially destabilized after recognition with phenothiazines. These alterations were confirmed by far-UV CD spectra that showed the α-helix of protein decreased from 78.3% in free hemoglobin to 62.8% and 64.8% in hemoglobin-phenosafranin and hemoglobin-safranin O, respectively. Computer-aided molecular docking was consistent, indicating that both phenothiazines are situated

  8. 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.

  9. 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. PMID:15540584

  10. 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

  11. 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.

  12. On the value of including x-component data in 1D modeling of electromagnetic data from helicopterborne time domain systems in horizontally layered environments

    NASA Astrophysics Data System (ADS)

    Kirkegaard, Casper; Foged, Nikolaj; Auken, Esben; Christiansen, Anders Vest; Sørensen, Kurt

    2012-09-01

    Helicopter borne time domain EM systems historically measure only the Z-component of the secondary field, whereas fixed wing systems often measure all field components. For the latter systems the X-component is often used to map discrete conductors, whereas it finds little use in the mapping of layered settings. Measuring the horizontal X-component with an offset loop helicopter system probes the earth with a complementary sensitivity function that is very different from that of the Z-component, and could potentially be used for improving resolution of layered structures in one dimensional modeling. This area is largely unexplored in terms of quantitative results in the literature, since measuring and inverting X-component data from a helicopter system is not straightforward: The signal strength is low, the noise level is high, the signal is very sensitive to the instrument pitch and the sensitivity function also has a complex lateral behavior. The basis of our study is a state of the art inversion scheme, using a local 1D forward model description, in combination with experiences gathered from extending the SkyTEM system to measure the X component. By means of a 1D sensitivity analysis we motivate that in principle resolution of layered structures can be improved by including an X-component signal in a 1D inversion, given the prerequisite that a low-pass filter of suitably low cut-off frequency can be employed. In presenting our practical experiences with modifying the SkyTEM system we discuss why this prerequisite unfortunately can be very difficult to fulfill in practice. Having discussed instrumental limitations we show what can be obtained in practice using actual field data. Here, we demonstrate how the issue of high sensitivity towards instrument pitch can be overcome by including the pitch angle as an inversion parameter and how joint inversion of the Z- and X-components produces virtually the same model result as for the Z-component alone. We conclude that

  13. A 1D model for describing ion cyclotron resonance heating at arbitrary cyclotron harmonics in tokamak plasmas

    NASA Astrophysics Data System (ADS)

    Van Eester, Dirk; Lerche, Ernesto

    2013-05-01

    Both at low and higher cyclotron harmonics, properly accounting for finite Larmor radius effects is crucial in many ion cyclotron resonance frequency heating scenario's creating high energy tails. This paper discusses an extension TOMCAT-U of the 1D TOMCAT tokamak plasma wave equation solver (Van Eester and Koch 1998 Plasma Phys. Control. Fusion 40 1949) to arbitrary harmonics and arbitrary wavelengths while only keeping leading order terms in equilibrium variation terms. Rather than adopting the particle position, the guiding center position is used as the independent variable when writing down an expression for the dielectric response that is suitable for numerical application. This choice of independent variable yields intuitive expressions involving the Kennel-Engelmann operator which can directly be linked to the corresponding expressions in the RF diffusion operator appearing in the Fokker-Planck equation. It also guarantees that a positive definite power transfer from waves to particles is ensured for any of the wave modes in a plasma in which all populations have a Maxwellian distribution, as is expected from first principles. Rather than relying on a truncated Taylor series expansion of the dielectric response, an integrodifferential approach that retains all finite Larmor radius effects is proposed. To keep the required computation time for this generalized description reasonable, tabulation of integrals is intensively used. Although the accent is on the presentation of the upgraded formalism as well as the adopted recursions and tabulations, a few examples are provided to illustrate the potential of the new wave code that relies on these tabulations.

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

    PubMed Central

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

    2011-01-01

    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. PMID:21724188

  15. 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].

  16. An Intriguing Shift Occurs in the Novel Protein Phosphatase 1 Binding Partner, TCTEX1D4: Evidence of Positive Selection in a Pika Model

    PubMed Central

    Korrodi-Gregório, Luís; Margarida Lopes, Ana; Esteves, Sara L. C.; Afonso, Sandra; Lemos de Matos, Ana; Lissovsky, Andrey A.; da Cruz e Silva, Odete A. B.; Esteves, Pedro José; Fardilha, Margarida

    2013-01-01

    T-complex testis expressed protein 1 domain containing 4 (TCTEX1D4) contains the canonical phosphoprotein phosphatase 1 (PPP1) binding motif, composed by the amino acid sequence RVSF. We identified and validated the binding of TCTEX1D4 to PPP1 and demonstrated that indeed this protein is a novel PPP1 interacting protein. Analyses of twenty-one mammalian species available in public databases and seven Lagomorpha sequences obtained in this work showed that the PPP1 binding motif 90RVSF93 is present in all of them and is flanked by a palindromic sequence, PLGS, except in three species of pikas (Ochotona princeps, O. dauurica and O. pusilla). Furthermore, for the Ochotona species an extra glycosylation site, motif 96NLS98, and the loss of the palindromic sequence were observed. Comparison with other lagomorphs suggests that this event happened before the Ochotona radiation. The dN/dS for the sequence region comprising the PPP1 binding motif and the flanking palindrome highly supports the hypothesis that for Ochotona species this region has been evolving under positive selection. In addition, mutational screening shows that the ability of pikas TCTEX1D4 to bind to PPP1 is maintained, although the PPP1 binding motif is disrupted, and the N- and C-terminal surrounding residues are also abrogated. These observations suggest pika as an ideal model to study novel PPP1 complexes regulatory mechanisms. PMID:24130861

  17. 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

  18. Evaluation of Emissions and Photochemical Processing Within Air Quality Model Forecasts During the 2006 TexAQS/GoMACCS Field Study

    NASA Astrophysics Data System (ADS)

    McKeen, S. A.; Grell, G.; Peckham, S.; McQueen, J.; Lee, P.; McHenry, J.; Gong, W.; Bouchet, V.; Tang, Y.; Carmichael, G.; Wilczak, J.; Djalalova, I.; None, N.

    2007-12-01

    Several air-quality models provided real-time forecasts of ozone and PM2.5 aerosols during the TexAQS/GoMACCS field campaign. These forecast models include two versions of the NOAA/ESRL/GSD WRF/Chem model, a developmental version of the NWS/NCEP CMAQ/WRF model, the Canadian Meteorological Services CHRONOS and AURAMS models, the MM5 based MAQSIP model from Baron Advanced Meteorological Services Inc., and the University of Iowa STEM model. Statistical evaluations of each model with the U.S. EPA AIRNow ozone and PM2.5 network over Eastern Texas during the summer of 2006 point to persistent model biases in surface predictions of these two criteria pollutants. Uncertainties in emission inventories and photochemical mechanisms are likely sources of forecast error within each model. Detailed observations of dozens of gas-phase ozone precursors and aerosol components collected on board the NOAA-WP3 aircraft during TexAQS/GoMACCS are used to compare model and observed concentrations. Aircraft flight tracks were designed to characterize up-wind conditions and the evolving composition of urban plumes down-wind of Houston and Dallas, TX within the planetary boundary layer. The aircraft data for 10 flights during September of 2006 are used in three diagnostic evaluations of the various models: characterizing the background composition up-wind of the two urban areas, evaluating the photochemical processing leading to ozone and PM2.5 formation various distances down-wind of the urban sources, and using ratios of above-background concentrations to infer and compare emission ratios of key ozone and PM2.5 precursors.

  19. 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...

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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

  5. Non-thermal O/1D/ produced by dissociative recombination of O2/+/ - A theoretical model and observational results. [in earth atmosphere

    NASA Technical Reports Server (NTRS)

    Schmitt, G. A.; Abreu, V. J.; Hays, P. B.

    1981-01-01

    Thermal and nonthermal O(1D) number density profiles are calculated. The two populations are assumed to be coupled by a thermalization cross-section which determines the loss and production in the nonthermal and thermal populations, respectively. The sources, sinks and transport of the two populations are used to model volume emission rate profiles at 6300 A. The 6300 A brightness measured by the Visible Airglow Experiment is then used to establish the presence of the nonthermal population and to determine the thermalization cross-section.

  6. 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

  7. Reassessing the photochemical production of methanol from peroxy radical self and cross reactions using the STOCHEM-CRI global chemistry and transport model

    NASA Astrophysics Data System (ADS)

    Khan, M. A. H.; Cooke, M. C.; Utembe, S. R.; Xiao, P.; Derwent, R. G.; Jenkin, M. E.; Archibald, A. T.; Maxwell, P.; Morris, W. C.; South, N.; Percival, C. J.; Shallcross, D. E.

    2014-12-01

    Methanol (CH3OH) is an oxygenated volatile organic compound (VOC) and one of the most abundant species present in the troposphere. The mass of CH3OH in the atmospheric reservoir, its annual mass flux from sources to sinks, and its global budget have been investigated using STOCHEM-CRI, a global three-dimensional chemistry transport model. Our study shows that the global burden of methanol is 5 Tg. The atmospheric life-time of CH3OH is found to be 6.1 days which falls within the range of previous modelling studies. The impact of peroxy radicals on the photochemical production of CH3OH has been studied and suggests that NMVOCs (non-methane Volatile Organic Compounds) are an important source of both peroxy radicals and CH3OH. The photochemical production routes of CH3OH are found to be 48 Tg/yr, which are higher than the previous studies and contributes significantly to the total global methanol sources of 287 Tg/yr. An additional CH3OH production of 8.2 Tg/yr from the reaction of methyl peroxy radicals (CH3O2) with hydroxyl radicals (OH) could be a significant additional source of CH3OH particularly over the tropical oceans which would lead to a revision of the global sources and life cycle of CH3OH.

  8. 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.

  9. An analytical 1-D model for vertical momentum and energy flux through a fully developed wind farm

    NASA Astrophysics Data System (ADS)

    Markfort, Corey D.; Zhang, Wei; Porté-Agel, Fernando

    2014-05-01

    Wind farms capture momentum from the atmospheric boundary layer (ABL) both at the leading edge and from the atmosphere above. Momentum is advected into the wind farm and wake turbulence draws excess momentum in from between turbines until momentum is only available from above the wind farm. This distance can be described by the so-called drag development length scale, which arises from the canopy drag force term in the momentum equation. At this point the flow can be considered fully developed. The horizontally-averaged velocity profile for a fully developed wind farm flow exhibits a characteristic inflection point near the top of the wind farm, similar to that of sparse canopy-type flows (Markfort et al., JoT, 2012). The inflected vertical velocity profile is associated with the presence of a dominant characteristic turbulence scale, which may be responsible for a significant portion of the vertical momentum flux. We evaluate an analytical canopy-type flow model for wind farm-atmosphere interaction by testing it against wind-tunnel experimental data of flow through a model wind farm. The model is adapted to predict the mean flow, vertical momentum flux, and the mean kinetic energy flux as well as kinetic energy dissipation within the wind farm. This model is particularly useful for wind farm configuration optimization, considering wind turbine spacing and surface roughness and can also be useful to represent wind farms in regional scale atmospheric simulations.

  10. Selenium-modified titanium dioxide photochemical diode/electrolyte junctions: photocatalytic and electrochemical preparation, characterization, and model simulations.

    PubMed

    de Tacconi, Norma R; Chenthamarakshan, C R; Rajeshwar, Krishnan; Tacconi, Eugenio J

    2005-06-23

    The photoelectrochemical behavior of TiO2 thin film electrodes, photocatalytically modified with Se islands, is described. The TiO2 thin films were electrodeposited on transparent conducting oxide glass substrates. The resultant electrode forms a n-TiO2/p-Se "photochemical diode" which, in turn, contacts an electrolyte phase. Both transient photocurrent profiles (in response to excitation light that is switched on or off) and steady-state current-potential curves in response to chopped irradiation are considered. We show that the relative dominance of the contributions from the TiO2 and Se components to the overall response of the photochemical diode/electrolyte junction crucially depends on the wavelength distribution of the excitation light source. A simple equivalent circuit representation of this junction is presented, comprised of a photodiode in parallel with two photodiodes connected in series back-to-back. Simulations of the transient and steady-state photoelectrochemical response of this system are presented, and are shown to be in good agreement with the corresponding experimental profiles. PMID:16852473

  11. Coastal fog prediction with a coupled model (1D+3D) system using the data from a 300 m met tower as input

    NASA Astrophysics Data System (ADS)

    Kim, W.; Yum, S. S.

    2015-12-01

    Visibility degradation due to fog can be very hazardous both to ground transportation and aviation traffic. However, prediction of fog using numerical models is difficult because fog formation is usually determined by local meteorological conditions that are hard to be measured and modeled with sufficient resolution. For this reason, there have been several attempts to build a coupled system of a fine resolution 1D model and a 3D mesoscale model with a usual grid resolution. In this study we uses the coupled system of the 1D PAFOG model and the 3D WRF model to simulate fogs formed at a southern coastal region of Korea, where the National Center for Intensive Observation of Severe Weather (NCIO) is located. Unique to NCIO is that it has a 300 m meteorological tower on which some basic meteorological variables (temperature, dew point temperature and winds) are measured at eleven different altitudes. In addition comprehensive cloud physics measurements are made with various remote sensing instruments such as cloud radar, wind profiler, microwave radiometer, micro rain radar. Several fog cases are identified during 2015 and will be simulated by the coupled system. The comprehensive set of measurement data from NCIO will be utilized as input to the model system and for evaluating the results. Particularly the data for initial and boundary conditions, which are tightly connected to the coupled model predictability, are extracted from the tower measurement. Furthermore, various sensitivity experiments will be done to enhance our understanding of the coastal fog formation mechanism. Detailed results will be discussed at the conference.

  12. VizieR Online Data Catalog: Grid of 1D models for Mg line formation (Osorio+, 2016)

    NASA Astrophysics Data System (ADS)

    Osorio, Y.; Barklem, P. S.

    2015-11-01

    Table mgnlte.dat provides equivalent widths in LTE and non-LTE for 19 MgI spectral lines calculated in 3859 stellar atmospheres and using 21 Mg abundance per star. These data can be used to calculate abundance corrections in a broad variety of stellar models and Mg enhancements in a consistent way. The tables in data/* provides departure coefficients of the LEVEL in 10563 stellar atmospheres at 56 depth points in the atmosphere and using 21 Mg abundance values per star. These data can be used to calculate abundance corrections in a broad variety of stellar models and Mg enhancements in a consistent way. The format of the departure coefficients is the unit-less value of the ratio between the nlte and lte population of the level LEVEL of Mg. (3 data files).

  13. 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.

  14. 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.

  15. 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.

  16. A damage assessment model of slender bridge members based on 1D linear member theory with frequency dependent parameters

    NASA Astrophysics Data System (ADS)

    Yu, Chih-Peng; Cheng, Chia-Chi; Lai, Jiunnren; Chiang, Chih-Hung

    2012-04-01

    In this study, a linear model with frequency dependent structural property was used to generate the corresponding frequency response function and dynamic stiffness for selected dynamic problems where certain nonlinearity can be resulted from time/space varying characteristics of the bridge vibrations. Derivation of the proposed formula is based on the vibration theory of the elementary member with frequency dependent elastic properties, in which Modulus of Elasticity can be interpreted as serial and parallel connections of springs and dashpots. This paper first describes the use of the proposed formulation to reasonably depict the nonlinear cable vibration associated with the varying tension forces over time. The proposed formulation can also be used to simulate flexural vibration of damage beams in which the elastic property involves certain space varying or time varying characteristics. Simple numerical/experimental data were next used to demonstrate and confirm the potential application of such simulation idea. Consequently, it is concluded that such assessment model with frequency dependent parameters can be practically feasible and serve as a useful tool in the spectral analysis regarding dynamic problems of slender bridge members.

  17. 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.

  18. Transient runoff-runon model for a 1-D slope with random infiltrability: flow statistics and connectivity

    NASA Astrophysics Data System (ADS)

    Harel, Marie-Alice; Mouche, Emmanuel

    2015-04-01

    Despite the recent research focused on runoff pattern connectivity in hydrology, there is a surprising lack of theoretical knowledge regarding hillslope runoff generation and dynamics during a rainfall event. The transient problem is especially unaddressed. In this paper we propose a model based on queueing theory formalism for the infiltration-excess overland flow generation on soils with random infiltration properties. The influence of rainfall intensity and duration on runoff dynamics and connectivity is studied thanks to this model, numerical simulation and available steady-state results. We limit our study to a rainfall intensity that is a rectangular function of time. Exact solutions for the case of spatially random exponential distributions of soil infiltrability and rainfall intensity are developed. Simulations validate these analytical results and allow for the study the rising and recession limbs of the hydrograph for different rainfall characteristics. The case of a deterministic uniform rainfall rate and different infiltrability distributions is also discussed in light of runoff connectivity. We show that the connectivity framework contributes to a better understanding and prediction of runoff pattern formation and evolution with time. A fragmented overland flow is shown to have shorter charge and discharge periods after the onset and offset of rainfall compared to well connected runoff fields. These results demonstrate that the transient regime characteristics are linked with connectivity parameters, rainstorm properties and scale issues.

  19. 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.

  20. 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.

  1. 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

  2. CR1Dinv: A Matlab program to invert 1D spectral induced polarization data for the Cole-Cole model including electromagnetic effects

    NASA Astrophysics Data System (ADS)

    Ghorbani, Ahmad; Camerlynck, Christian; Florsch, Nicolas

    2009-02-01

    An inversion code has been constructed using Matlab, to recover 1D parameters of the Cole-Cole model from spectral induced polarization data. In a spectral induced polarization survey, impedances are recorded at various frequencies. Both induced polarization and electromagnetic coupling effects occur simultaneously over the experimental frequency bandwidth, and these become progressively more dominant when the frequency increases. We used the CR1Dmod code published by Ingeman-Nielsen and Baumgartner [2006]. This code solves for electromagnetic responses, in the presence of complex resistivity effects in a 1D Earth. In this paper, a homotopy method has been designed by the authors to overcome the local convergence problem of normal iterative methods. In addition, in order to further condition the inverse problem, we incorporated standard Gauss-Newton (or quasi-Newton) methods. Graphical user interfaces enable straightforward entering of the data and the a priori model, as well as the cable configuration. Two synthetic examples are presented, showing that the spectral parameters can be recovered from multifrequency, complex resistivity data.

  3. 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

  4. 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...

  5. 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 ...

  6. Two-band model description of electroabsorption and third-harmonic generation in 1-D MX linear chains

    SciTech Connect

    Shuai, Z.; Bredas, J.L.; Saxena, A.; Gammel, J.T.; Bishop, A.R.

    1994-10-01

    Within a two-band model, the authors investigate the electroabsorption (EA) and third-harmonic generation (THG) processes in halogen-bridged mixed-valence Pt complexes: PtCl, PtBr and Ptl. For PtCl, the theoretical THG spectrum shows three peaks, corresponding to (i) a three-photon resonance at 0.83 eV originating in a M(etal)-M(etal) transition; (ii) a two-photon resonance at 1.5 eV from an M-M band-edge transition; and (iii) a three-photon resonance at 1.6 eV from an M-X transition. The latter two peaks account well for the twin-peak structure seen experimentally. They show that the twin-peak intensity strongly decreases from PtCl to PtBr and disappears for PtI. They also discuss the theoretical EA spectra due to localized defects (polarons, bipolarons, kinks, and excitons).

  7. 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. PMID:25753623

  8. PHOTOCHEMICAL REACTIVITY OF PERCHLOROETHYLENE

    EPA Science Inventory

    Perchloroethylene (PCE), a solvent used in dry cleaning, has been suspected of contributing significantly to photochemical ozone/oxidant (O3/Ox) problems in urban atmospheres. Past evidence, however, was neither complete nor consistent. To interpret more conclusively the past evi...

  9. 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.

  10. PHOTOCHEMICAL AEROSOL DYNAMICS

    EPA Science Inventory

    New data are reported on (1) the rate of formation of condensable chemical species by photochemical reactions, (2) the effect of the reaction products on the particle size distribution and (3) the distribution of reaction products as a function of particle size. Gas-to-particle c...

  11. 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.

  12. Absence of finite-temperature ballistic charge (and spin) transport in the 1D Hubbard model at half filling (and zero spin density)

    NASA Astrophysics Data System (ADS)

    Carmelo, J. M. P.; Gu, Shi-Jian; Sampaio, M. J.

    2014-06-01

    Finite-temperature T > 0 transport properties of integrable and nonintegrable one-dimensional (1D) many-particle quantum systems are rather different, showing ballistic and diffusive behavior, respectively. The repulsive 1D Hubbard model is a prominent example of an integrable correlated system. For electronic densities n ≠ 1 (and spin densities m ≠ 0) it is an ideal charge (and spin) conductor, with ballistic charge (and spin) transport for T ⩾ 0. In spite of the fact that it is solvable by the Bethe ansatz, at n = 1 (and m = 0) its T > 0 charge (and spin) transport properties are an issue that remains poorly understood. Here we combine this solution with symmetry and the explicit calculation of current-operator matrix elements between energy eigenstates to show that for on-site repulsion U > 0 and at n = 1 the charge stiffness Dη(T) vanishes for T > 0 in the thermodynamic limit. A similar behavior is found by such methods for the spin stiffness Ds(T) for U > 0 and T > 0, which vanishes at m = 0. This absence of finite temperature n = 1 ballistic charge transport and m = 0 ballistic spin transport are exact results that clarify long-standing open problems.

  13. 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.

  14. 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.

  15. Aircraft measurements, modelled stratospheric [NO2]/[NO] ratio and photochemical steady-state approach within the frame of ENVISAT satellite data validation

    NASA Astrophysics Data System (ADS)

    Kostadinov, Ivan; Bortoli, Daniele; Giovanelli, Giorgio; Heland, J.; Petritoli, Andrea; Ravegnani, Fabrizio; Schlager, H.; Ulanovsky, Aleksey; Yuzhkov, Vladimir

    2003-08-01

    The scientific payload aboard the stratospheric aircraft M55 Geophysica consists of both in-situ and remote sensing instruments deployed to validate the ENVISAT chemical payload - SCIAMACHY, MIPAS-E and GOMOS during dedicated field campaigns: July and October 2002, Forli (Italy) and February - March 2003, Kiruna (Sweden). Along with the precise measurements required for correct validation procedures, it is necessary to provide additional information related to certain relationships between the available geophysical parameters in order to allow us to better interpret retrieved results, both from the space and from the aircraft measurements. In this regard NO2/NO ratio is inferred/tested along the flight tracks and used to verify the existence of a steady state photochemical equilibrium, using the data obtained by GASCOD-A/4π, FOZAN and SIOUX instruments. The obtained experimental ratio is compared to that derived from model calculations. A short description of the instruments and flight conditions are described also.

  16. 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.

  17. 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.

  18. 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

  19. Photochemical Ablation of Organic Solids

    NASA Astrophysics Data System (ADS)

    Garrison, Barbara

    2004-03-01

    As discovered by Srinivasan in 1982, irradiation of materials by far UV laser light can lead to photochemical ablation, a process distinct from normal thermal ablation in which the laser primarily heats the material. A versatile mesoscopic model for molecular dynamics simulations of the laser ablation phenomena is presented. The model incorporates both the thermal and photochemical events, that is, both heating of the system and UV induced bond-cleavage followed by abstraction and radical-radical recombination reactions. The results from the simulations are compared to experimental data and the basic physics and chemistry for each irradiation regime are discussed. Initial results from polymer ablation simulations will be presented. L. V. Zhigilei, P. B. S. Kodali and B. J. Garrison, J. Phys. Chem. B, 102, 2845-2853 (1998); L. V. Zhigilei and B. J. Garrison, Journal of Applied Physics, 88, 1281-1298 (2000). Y. G. Yingling, L. V. Zhigilei and B. J. Garrison, J. Photochemistry and Photobiology A: Chemistry, 145, 173-181 (2001); Y. G. Yingling and B. J. Garrison, Chem. Phys. Lett., 364, 237-243 (2002).

  20. Stratospheric Ozone: Transport, Photochemical Production and Loss

    NASA Technical Reports Server (NTRS)

    Douglass, A. R.; Kawa, S. R.; Jackman, C. H.

    2003-01-01

    Observations from various satellite instruments (e.g., Total Ozone Mapping Spectrometer (TOMS), Halogen Occultation Experiment (HALOE), Microwave Limb Sounder (MLS)) specify the latitude and seasonal variations of total ozone and ozone as a function of altitude. These seasonal variations change with latitude and altitude partly due to seasonal variation in transport and temperature, partly due to differences in the balance between photochemical production and loss processes, and partly due to differences in the relative importance of the various ozone loss processes. Comparisons of modeled seasonal ozone behavior with observations test the following: the seasonal dependence of dynamical processes where these dominate the ozone tendency; the seasonal dependence of photochemical processes in the upper stratosphere; and the seasonal change in the balance between photochemical and dynamical processes.

  1. 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

  2. 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

  3. Relocation of the Waldkirch seismic event, December 5, 2004, with regional 1D- and 3D-velocity models in the presence of upper mantle anisotropy

    NASA Astrophysics Data System (ADS)

    Muench, Thomas; Koch, Manfred; Schlittenhard, Jörg

    2010-05-01

    On December 5, 2004 a strong earthquake occurred near the city of Waldkirch, about 30 km's north of Freiburg, with a local magnitude of ML = 5.4. This seismic event was one of the strongest observed since the ML = 5.7 'Schwäbische Alb' event of September 3, 1978, 30 years before. In the aftermath of the event several institutions (Bens, BGR, LGBR, LED, SED and NEIC) have attempted to relocate this earthquake that came up with a hypocentral depth range of 9 - 12 km which. In fact, as the exact hypocentral location of the Waldkirch - and other events in the area - namely, the seismic depths, are of utmost importance for the further understanding of the seismotectonics as well as of the seismic hazard in the upper Rhinegraben area, one cannot over stress the necessity for a hypocenter relocation as best as possible. This requires a careful analysis of all factors that may impede an unbiased relocation of such an event. In the present talk we put forward the question whether the Waldkirch seismic event can be relocated with sufficient accuracy by a regional network when, additionally, improved regional 1D- and 3D seismic velocity models for the crust and upper mantle that take into consideration Pn-anisotropy of the upper mantle beneath Germany are employed in the hypocentral determination process. The seismological work starts with a comprehensive analysis of the dataset available for the relocation of the event. By means of traveltime curves a reevaluation of the observed phases is done and it is shown that some of the big observed traveltime residuals are most likely the consequence of wrongly associated phases as well as of the neglect of the anisotropic Pn traveltime correction for the region. Then hypcocenter relocations are done for 1D vertically inhomogeneous and 3D laterally inhomogeneous seismic velocity models, without and with the anisotropic Pn-traveltime correction included. The effects of the - often not well-known - Moho depth and of the VP

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. Fast time-domain modeling of fluid-coupled cMUT cells: from the single cell to the 1-D linear array element.

    PubMed

    Sénégond, Nicolas; Boulmé, Audren; Plag, Camille; Teston, Franck; Certon, Dominique

    2013-07-01

    We report a fast time-domain model of fluid-coupled cMUTs developed to predict the transient response-i.e., the impulse pressure response--of an element of a linear 1-D array. Mechanical equations of the cMUT diaphragm are solved with 2-D finite-difference schemes. The time-domain solving method is a fourth--order Runge-Kutta algorithm. The model takes into account the electrostatic nonlinearity and the contact with the bottom electrode when the membrane is collapsed. Mutual acoustic coupling between cells is introduced through the numerical implementation of analytical solutions of the impulse diffraction theory established in the case of acoustic sources with rectangular geometry. Processing times are very short: they vary from a few minutes for a single cell to a maximum of 30 min for one element of an array. After a description of the model, the impact of the nonlinearity and the pull-in/pull-out phenomena on the dynamic behavior of the cMUT diaphragm is discussed. Experimental results of mechanical displacements obtained by interferometric measurements and the acoustic pressure field are compared with simulations. Different excitation signals-high-frequency bandwidth pulses and toneburst excitations of varying central frequency-were chosen to compare theory with experimental results. PMID:25004518

  9. 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).

  10. Exploring the impacts of multiple tidal constituents and varying river flow on long-term, large-scale estuarine morphodynamics by means of a 1-D model

    NASA Astrophysics Data System (ADS)

    Guo, Leicheng; Wegen, Mick; Wang, Zheng Bing; Roelvink, Dano; He, Qing

    2016-05-01

    Tidal asymmetry is an important mechanism generating tidal residual sediment transport (TRST) in tidal environments. So far, it is known that a number of tidal interactions (e.g., M2-M4 and M2-O1-K1) can induce tidal asymmetry and associated TRST; however, their variability and morphodynamic impacts are insufficiently explored. Inspired by the river and tidal forcing conditions in the Yangtze River Estuary, we explore the morphodynamic development of a 560 km long estuary under the boundary forcing conditions of varyingly combined tidal constituents and river discharges using a schematized 1-D morphodynamic model for long-term (millennial) simulations. We then employ an analytical scheme which integrates sediment transport as a function of flow velocities to decompose the contribution of different tidal interactions on TRST and to explain how the river and tidal interactions control TRST and associated morphodynamics. Model results display varying equilibrium bed profiles. Analytical results suggest that (1) a series of tidal interactions creates multiple tidal asymmetries and associated TRST, (2) river flow modulates tidal asymmetry nonlinearly in space, and (3) more tidal constituents at the sea boundary persistently enhance the seaward TRST through river-tide interactions. It is the combined effects of multiple tidal asymmetries and river-tide interactions that determine the net TRST and consequent morphodynamic development. It thus suggests that tidal harmonics of significant amplitudes need to be considered properly as boundary conditions for long-term, large-scale morphodynamic modeling.

  11. PPARγ agonist pioglitazone improves cerebellar dysfunction at pre-Aβ deposition stage in APPswe/PS1dE9 Alzheimer's disease model mice.

    PubMed

    Toba, Junya; Nikkuni, Miyu; Ishizeki, Masato; Yoshii, Aya; Watamura, Naoto; Inoue, Takafumi; Ohshima, Toshio

    2016-05-13

    Alzheimer's disease (AD) is one of the best known neurodegenerative diseases; it causes dementia and its pathological features include accumulation of amyloid β (Aβ) and neurofibrillary tangles (NFTs) in the brain. Elevated Cdk5 activity and CRMP2 phosphorylation have been reported in the brains of AD model mice at the early stage of the disease, but the significance thereof in human AD remains unelucidated. We have recently reported that Aβ accumulation in the cerebellum of AD model APPswe/PS1dE9 (APP/PS1) mice, and cerebellar dysfunctions, such as impairment of motor coordination ability and long-term depression (LTD) induction, at the pre-Aβ accumulation stage. In the present study, we found increased phosphorylation levels of CRMP2 as well as increased p35 protein levels in the cerebellum of APP/PS1 mice. Interestingly, we show that pioglitazone, an agonist of peroxisome proliferator-activated receptor γ, normalized the p35 protein and CRMP2 phosphorylation levels in the cerebellum. Impaired motor coordination ability and LTD in APP/PS1 mice were ameliorated by pioglitazone treatment at the pre-Aβ accumulation stage. These results suggest a correlation between CRMP2 phosphorylation and AD pathophysiology, and indicate the effectiveness of pioglitazone treatment at the pre-Aβ accumulation stage in AD model mice. PMID:27059136

  12. VALIDATION DATA FOR PHOTOCHEMICAL MECHANISMS: EXPERIMENTAL RESULTS

    EPA Science Inventory

    The smog chamber facility of the University of North Carolina (UNC) was used to provide experimental data for the EPA and atmospheric model developers for testing and validating kinetic mechanisms of photochemical smog formation. In the study, 71 dual-experiments were performed u...

  13. An original approach combining aircraft observations and 1D modelling to quantify the role of deep convection on formaldehyde in tropical UT

    NASA Astrophysics Data System (ADS)

    Borbon, A.; Ruiz, M.; Bechara, J.; Afif, C.; Huntrieser, H.; Mills, G.; Mari, C.; Reeves, C.; Schlager, H.

    2010-12-01

    Deep convection plays a key role in determining global atmospheric composition of the upper troposphere by the fast uplift of HOx radical and ozone precursors to the upper troposphere. Formaldehyde (HCHO) is one important gas precursor. It is the most abundant carbonyl compound originating from both primary processes and photooxidation of volatile organic compounds. Thus, determining its source strength to the upper troposphere is important for estimating ozone production. However processes governing its fate are multiple and complex including dynamics (entrainment and detrainment), multiphase chemistry and cloud microphysics. As a result, the flux of formaldehyde to the upper troposphere is still uncertain. The goal of this study is to examine the redistribution of formaldehyde in tropical mesoscale convective systems (MSC) and to estimate its sources and sinks during convective transport to the upper troposphere. The novelty here is to combine 1D modelling (Meso NH model) and formaldehyde aircraft observations. Observations were collected over West Africa during the monsoon period (July-August 2006) of the AMMA experiment. Four aircrafts (English BAe-146, French ATR-42 and Falcon-20 and German Falcon-20) were deployed over a large domain (long.: -8°E-5°W, lat. 4°N-20°N, alt.: 0 12 km) with formaldehyde measuring instruments on board. First, this presentation will point out the construction of a comprehensive and consistent data set of formaldehyde by ensuring data comparability thanks to aircraft intercomparison flights, multiple chemical tracer approach (CO, O3 and relative humidity) and a spatial gridding of the domain. Then formaldehyde spatial variability will be examined under background and convective conditions. Finally, the relative importance of transport (entrainment) and wet scavenging will be discussed from selected AMMA flights. For that purpose, the following equation system has been resolved [HCHO]transported to UT=[HCHO]measured - [HCHO

  14. 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

  15. Butyrylcholinesterase is Associated with β-Amyloid Plaques in the Transgenic APPSWE/PSEN1dE9 Mouse Model of Alzheimer Disease

    PubMed Central

    Darvesh, Sultan; Cash, Meghan K.; Reid, G. Andrew; Martin, Earl; Mitnitski, Arnold; Geula, Changiz

    2011-01-01

    Histochemical analysis of Alzheimer disease (AD) brain tissues indicates that butyrylcholinesterase (BuChE) is present in β-amyloid (Aβ) plaques. The role of BuChE in AD pathology is unknown but an animal model developing similar BuChE-associated Aβ plaques could provide insights. The APPSWE/PSEN1dE9 mouse (ADTg), which develops Aβ plaques, was examined to determine if BuChE associates with these plaques, as in AD. We found that in mature ADTg mice, BuChE activity associated with Aβ plaques. Aβ-, thioflavin-S- and BuChE-positive plaques mainly accumulated in olfactory structures, cerebral cortex, hippocampal formation, amygdala and cerebellum. No plaques were stained for acetylcholinesterase activity. The distribution and abundance of plaque staining in ADTg closely resembled many aspects of plaque staining in AD. BuChE staining consistently showed fewer plaques than were detected with Aβ immunostaining but a greater number of plaques than were visualized with thioflavin-S. Double-labelling experiments demonstrated that all BuChE-positive plaques were Aβ-positive while only some BuChE-positive plaques were thioflavin-S-positive. These observations suggest that BuChE is associated with a subpopulation of Aβ plaques and may play a role in AD plaque maturation. Further study of this animal model could clarify the role of BuChE in AD pathology. PMID:22157615

  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. PMID:26660740

  19. 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.

  20. Photochemical cutting of fabrics

    SciTech Connect

    Piltch, M.S.

    1994-11-22

    Apparatus is described 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. 1 fig.

  1. 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

  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. Increased cortical and thalamic excitability in freely moving APPswe/PS1dE9 mice modeling epileptic activity associated with Alzheimer's disease.

    PubMed

    Gurevicius, Kestutis; Lipponen, Arto; Tanila, Heikki

    2013-05-01

    Amyloid precursor protein transgenic mice modeling Alzheimer's disease display frequent occurrence of seizures peaking at an age when amyloid plaques start to form in the cortex and hippocampus. We tested the hypothesis that numerous reported interactions of amyloid-β with cell surface molecules result in altered excitation-inhibition balance in brain-wide neural networks, eventually leading to epileptogenesis. We examined electroencephalograms (EEGs) and auditory-evoked potentials (AEPs) in freely moving 4-month-old APPswe/PS1dE9 (APdE9) and wild-type (WT) control mice in the hippocampus, cerebral cortex, and thalamus during movement, quiet waking, non-rapid eye movement sleep, and rapid eye movement (REM) sleep. Cortical EEG power was higher in APdE9 mice than in WT mice over a broad frequency range (5-100 Hz) and during all 4 behavioral states. Thalamic EEG power was also increased but in a narrower range (10-80 Hz). Furthermore, APdE9 mice displayed augmented cortical and thalamic AEPs. While power and theta-gamma modulation were preserved in the APdE9 hippocampus, REM sleep-related phase shift of theta-gamma modulation was altered. Our data suggest that at the early stage of amyloid pathology, cortical principal cells become hyperexcitable and via extensive cortico-thalamic connection drive thalamic cells. Minor hippocampal changes are most likely secondary to abnormal entorhinal input. PMID:22581851

  4. 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)

  5. 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

  6. 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

  7. PLUME-MoM 1.0: a new 1-D model of volcanic plumes based on the method of moments

    NASA Astrophysics Data System (ADS)

    de'Michieli Vitturi, M.; Neri, A.; Barsotti, S.

    2015-05-01

    In this paper a new mathematical model for volcanic plumes, named PlumeMoM, is presented. The model describes the steady-state 1-D dynamics of the plume in a 3-D coordinate system, accounting for continuous variability in particle distribution of the pyroclastic mixture ejected at the vent. Volcanic plumes are composed of pyroclastic particles of many different sizes ranging from a few microns up to several centimeters and more. Proper description of such a multiparticle nature is crucial when quantifying changes in grain-size distribution along the plume and, therefore, for better characterization of source conditions of ash dispersal models. The new model is based on the method of moments, which allows description of the pyroclastic mixture dynamics not only in the spatial domain but also in the space of properties of the continuous size-distribution of the particles. This is achieved by formulation of fundamental transport equations for the multiparticle mixture with respect to the different moments of the grain-size distribution. Different formulations, in terms of the distribution of the particle number, as well as of the mass distribution expressed in terms of the Krumbein log scale, are also derived. Comparison between the new moments-based formulation and the classical approach, based on the discretization of the mixture in N discrete phases, shows that the new model allows the same results to be obtained with a significantly lower computational cost (particularly when a large number of discrete phases is adopted). Application of the new model, coupled with uncertainty quantification and global sensitivity analyses, enables investigation of the response of four key output variables (mean and standard deviation (SD) of the grain-size distribution at the top of the plume, plume height and amount of mass lost by the plume during the ascent) to changes in the main input parameters (mean and SD) characterizing the pyroclastic mixture at the base of the plume

  8. 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

  9. Oxidation photochemistry in the Southern Atlantic boundary layer: unexpected deviations of photochemical steady state

    NASA Astrophysics Data System (ADS)

    Hosaynali Beygi, Z.; Fischer, H.; Harder, H. D.; Martinez, M.; Sander, R.; Williams, J.; Brookes, D. M.; Monks, P. S.; Lelieveld, J.

    2011-03-01

    Ozone (O3) is a photochemical oxidant, an air pollutant and a greenhouse gas. As the main precursor of the hydroxyl radical (OH) it strongly affects the oxidation power of the atmosphere. The remote marine boundary layer (MBL) is considered an important region in terms of chemical O3 loss; however surface-based atmospheric observations are sparse and the photochemical processes are not well understood. To investigate the photochemistry under the clean background conditions of the Southern Atlantic Ocean, ship measurements of NO, NO2, O3, JNO2, J(O1D), HO2, OH, ROx and a range of meteorological parameters were carried out. The concentrations of NO and NO2 measured on board the French research vessel Marion-Dufresne (28° S-57° S, 46° W-34° E) in March 2007, are among the lowest yet observed. The data is evaluated for consistency with photochemical steady state (PSS) conditions, and the calculations indicate substantial deviations from PSS (Φ>1). The deviations observed under low NOx conditions (5-25 pptv) demonstrate a remarkable upward tendency in the Leighton ratio (used to characterize PSS) with increasing NOx mixing ratio and JNO2 intensity. It is a paradigm in atmospheric chemistry that OH largely controls the oxidation efficiency of the atmosphere. However, evidence is growing that for unpolluted low-NOx (NO + NO2) conditions the atmospheric oxidant budget is poorly understood. Nevertheless, for the very cleanest conditions, typical for the remote marine boundary layer, good model agreement with measured OH and HO2 radicals has been interpreted as accurate understanding of baseline photochemistry. Here we show that such agreement can be deceptive and that a yet unidentified oxidant is needed to explain the photochemical conditions observed at 40°-60° S over the Atlantic Ocean.

  10. Oxidation photochemistry in the Southern Atlantic boundary layer: unexpected deviations of photochemical steady state

    NASA Astrophysics Data System (ADS)

    Hosaynali Beygi, Z.; Fischer, H.; Harder, H. D.; Martinez, M.; Sander, R.; Williams, J.; Brookes, D. M.; Monks, P. S.; Lelieveld, J.

    2011-08-01

    Ozone (O3) is a photochemical oxidant, an air pollutant and a greenhouse gas. As the main precursor of the hydroxyl radical (OH) it strongly affects the oxidation power of the atmosphere. The remote marine boundary layer (MBL) is considered an important region in terms of chemical O3 loss; however surface-based atmospheric observations are sparse and the photochemical processes are not well understood. To investigate the photochemistry under the clean background conditions of the Southern Atlantic Ocean, ship measurements of NO, NO2, O3, JNO2, J(O1D), HO2, OH, ROx and a range of meteorological parameters were carried out. The concentrations of NO and NO2 measured on board the French research vessel Marion-Dufresne (28° S-57° S, 46° W-34° E) in March 2007, are among the lowest yet observed. The data is evaluated for consistency with photochemical steady state (PSS) conditions, and the calculations indicate substantial deviations from PSS (Φ>1). The deviations observed under low NOx conditions (5-25 pptv) demonstrate a remarkable upward tendency in the Leighton ratio (used to characterize PSS) with increasing NOx mixing ratio and JNO2 intensity. It is a paradigm in atmospheric chemistry that OH largely controls the oxidation efficiency of the atmosphere. However, evidence is growing that for unpolluted low-NOx (NO + NO2) conditions the atmospheric oxidant budget is poorly understood. Nevertheless, for the very cleanest conditions, typical for the remote marine boundary layer, good model agreement with measured OH and HO2 radicals has been interpreted as accurate understanding of baseline photochemistry. Here we show that such agreement can be deceptive and that a yet unidentified oxidant is needed to explain the photochemical conditions observed at 40°-60° S over the Atlantic Ocean.

  11. 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.

  12. 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

  13. 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

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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...

  19. INFLUENCE OF VERTICAL RESOLUTION ON THE DIURNAL OZONE CONCENTRATIONS IN A REGIONAL PHOTOCHEMICAL MODEL: A PRELIMINARY STUDY WITH WINDOW RADM

    EPA Science Inventory

    Evaluation studies of the Regional Acid Deposition Model (RADM) with surface measurement have revealed positive bias (overprediction) of surface ozone (O3) concentration during nighttime hours and negative bias (underprediction) during daytime hours by the model, especially in ru...

  20. 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.

  1. A better understanding of hydroxyl radical photochemical sources in cloud waters collected at the puy de Dôme station - experimental versus modelled formation rates

    NASA Astrophysics Data System (ADS)

    Bianco, A.; Passananti, M.; Perroux, H.; Voyard, G.; Mouchel-Vallon, C.; Chaumerliac, N.; Mailhot, G.; Deguillaume, L.; Brigante, M.

    2015-08-01

    The oxidative capacity of the cloud aqueous phase is investigated during three field campaigns from 2013 to 2014 at the top of the puy de Dôme station (PUY) in France. A total of 41 cloud samples are collected and the corresponding air masses are classified as highly marine, marine and continental. Hydroxyl radical (HO•) formation rates (RHO•f) are determined using a photochemical setup (xenon lamp that can reproduce the solar spectrum) and a chemical probe coupled with spectroscopic analysis that can trap all of the generated radicals for each sample. Using this method, the obtained values correspond to the total formation of HO• without its chemical sinks. These formation rates are correlated with the concentrations of the naturally occurring sources of HO•, including hydrogen peroxide, nitrite, nitrate and iron. The total hydroxyl radical formation rates are measured as ranging from approximately 2 × 10-11 to 4 × 10-10 M s-1, and the hydroxyl radical quantum yield formation (ΦHO•) is estimated between 10-4 and 10-2. Experimental values are compared with modelled formation rates calculated by the model of multiphase cloud chemistry (M2C2), considering only the chemical sources of the hydroxyl radicals. The comparison between the experimental and the modelled results suggests that the photoreactivity of the iron species as a source of HO• is overestimated by the model, and H2O2 photolysis represents the most important source of this radical (between 70 and 99 %) for the cloud water sampled at the PUY station (primarily marine and continental).

  2. 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.

  3. Early alterations in energy metabolism in the hippocampus of APPswe/PS1dE9 mouse model of Alzheimer's disease.

    PubMed

    Pedrós, Ignacio; Petrov, Dmitry; Allgaier, Michael; Sureda, Francesc; Barroso, Emma; Beas-Zarate, Carlos; Auladell, Carme; Pallàs, Mercè; Vázquez-Carrera, Manuel; Casadesús, Gemma; Folch, Jaume; Camins, Antoni

    2014-09-01

    The present study had focused on the behavioral phenotype and gene expression profile of molecules related to insulin receptor signaling in the hippocampus of 3 and 6 month-old APPswe/PS1dE9 (APP/PS1) transgenic mouse model of Alzheimer's disease (AD). Elevated levels of the insoluble Aβ (1-42) were detected in the brain extracts of the transgenic animals as early as 3 months of age, prior to the Aβ plaque formation (pre-plaque stage). By the early plaque stage (6 months) both the soluble and insoluble Aβ (1-40) and Aβ (1-42) peptides were detectable. We studied the expression of genes related to memory function (Arc, Fos), insulin signaling, including insulin receptor (Insr), Irs1 and Irs2, as well as genes involved in insulin growth factor pathways, such as Igf1, Igf2, Igfr and Igfbp2. We also examined the expression and protein levels of key molecules related to energy metabolism (PGC1-α, and AMPK) and mitochondrial functionality (OXPHOS, TFAM, NRF1 and NRF2). 6 month-old APP/PS1 mice demonstrated impaired cognitive ability, were glucose intolerant and showed a significant reduction in hippocampal Insr and Irs2 transcripts. Further observations also suggest alterations in key cellular energy sensors that regulate the activities of a number of metabolic enzymes through phosphorylation, such as a decrease in the Prkaa2 mRNA levels and in the pAMPK (Thr172)/Total APMK ratio. Moreover, mRNA and protein analysis reveals a significant downregulation of genes essential for mitochondrial replication and respiratory function, including PGC-1α in hippocampal extracts of APP/PS1 mice, compared to age-matched wild-type controls at 3 and 6 months of age. Overall, the findings of this study show early alterations in genes involved in insulin and energy metabolism pathways in an APP/PS1 model of AD. These changes affect the activity of key molecules like NRF1 and PGC-1α, which are involved in mitochondrial biogenesis. Our results reinforce the hypothesis that the

  4. 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...

  5. Photochemical plume-in-grid simulations of major point sources in the community multiscale air quality (CMAQ) modeling system

    SciTech Connect

    Godowitch, J.M.; Gillani, N.V.; Biazar, A.; Wu, Y.; Imhoff, R.E.

    1998-12-31

    A cooperative research and development effort has been conducted to design and implement a plume-in-grid (PinG) modeling techniques into the Models-3 Community Multiscale Air Quality (CMAQ) modeling system in order to address the need for an improved modeling approach to treat major point source emissions. Objectives are to provide an improved characterization of the near-source concentration field and a better far-field regional pollutant pattern due to the impact of the plume-in-grid approach. The conceptual design and an overview of the science processes contained in the PDM in PinG algorithms are briefly presented. Test simulations with and without the PinG treatment for a major NO{sub x} point source are described, and an O{sub 3} concentration pattern from the grid model reveals the impact of the plume-in-grid approach. Subgrid scale plume cell O{sub 3} concentrations are also shown.

  6. 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.

  7. 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

  8. Photochemically Synthesized Polyimides

    NASA Technical Reports Server (NTRS)

    Meador, Michael A.; Tyson, Daniel S.

    2008-01-01

    An alternative to the conventional approach to synthesis of polyimides involves the use of single monomers that are amenable to photopolymerization. Heretofore, the synthesis of polyimides has involved multiple-monomer formulations and heating to temperatures that often exceed 250 C. The present alternative approach enables synthesis under relatively mild conditions that can include room temperature. The main disadvantages of the conventional approach are the following: Elevated production temperatures can lead to high production costs and can impart thermal stresses to the final products. If the proportions of the multiple monomeric ingredients in a given batch are not exactly correct, the molecular weight and other physical properties of the final material could be reduced from their optimum or desired values. To be useful in the alternative approach, a monomer must have a molecular structure tailored to exploit Diels-Alder trapping of a photochemically generated ortho-quinodimethane. (In a Diels-Alder reaction, a diene combines with a dienophile to form molecules that contain six-membered rings.) In particular, a suitable monomer (see figure) contains ortho-methylbenzophenone connected to a dienophile (in this case, a maleimide) through a generic spacer group. Irradiation with ultraviolet light gives rise to a photochemical intermediate the aforementioned ortho-quinodimethane from the ortho-methylbenzophenone. This group may react with the dienophile on another such monomer molecule to produce an oligomer that, in turn may react in a stepgrowth manner to produce a polyimide. This approach offers several advantages in addition to those mentioned above: The monomer can be stored for a long time because it remains unreactive until exposed to light. Because the monomer is the only active starting ingredient, there is no need for mixing, no concern for ensuring correct proportions of monomers, and the purity of the final product material is inherently high. The use

  9. 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

  10. 1D ferrimagnetism in homometallic chains

    NASA Astrophysics Data System (ADS)

    Coronado, E.; Gómez-García, C. J.; Borrás-Almenar, J. J.

    1990-05-01

    The magnetic properties of the cobalt zigzag chain Co(bpy)(NCS)2 (bpy=2,2'-bipyridine) are discussed on the basis of an Ising-chain model that takes into account alternating Landé factors. It is emphasized, for the first time, that a homometallic chain containing only one type of site can give rise to a 1D ferrimagneticlike behavior.

  11. The roles of magmatic and external water in the March 8 tephra eruption at Mount St. Helens as assessed by a 1-D steady plume-height model

    NASA Astrophysics Data System (ADS)

    Mastin, L. G.; Sherrod, D. R.; Vallance, J. W.; Thornber, C. T.; Ewert, J. W.

    2005-12-01

    The dome-building eruption at Mount St. Helens has occurred through glacial ice and snow that would be expected to substantially affect the character of the eruption. Nevertheless, the role of water in the eruption to date has not always been clear. For example, on March 8, 2005, a half-hour-long tephra blast sent a plume to a maximum of ~9 km above the vent (based on pilot reports); seismicity and plume heights were greatest during the first ~10 minutes, then persisted for another ~15 minutes at a lower level before the eruption stopped. Tephra volume within 5 km2 downwind of the vent was ~5x104 m3 DRE, but trace amounts were reported at least to Ellensburg, WA (150 km NE), suggesting a total areal coverage >5,000 km2 and total volume >1x105 m3. Assuming that most of this material was expelled in the first ten minutes and had a density of 2500 kg/m3, the mass flow rate (M) during the vigorous phase was >~4x105 kg/s. The tephra, composed primarily of non-pumiceous broken and decrepitated dome rock, could have been expelled either by groundwater and steam at relatively modest (boiling-point) temperatures, or by magmatic gas at much higher temperatures. The high plume, however, suggested significant buoyancy, perhaps driven by temperatures closer to magmatic. To assess the effect of magmatic heat on plume height, we employ a 1-D steady volcanic plume model that uses specified vent diameter, exit velocity, eruption temperature, mass fractions of gas and added external water, and profiles of atmospheric temperature and humidity, to calculate plume height and plume properties as a function of elevation. The model considers the enthalpy of equilibrium water condensation and of ice formation. Model results show that, under atmospheric temperature and humidity profiles measured near Mount St. Helens on the afternoon of March 8, 2005, a plume height (h) of 7-9 km could have developed with eruption temperatures (T) as low as 100° C, provided the mass fraction of water vapor

  12. 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.

  13. Deviations from ozone photostationary state during the International Consortium for Atmospheric Research on Transport and Transformation 2004 campaign: Use of measurements and photochemical modeling to assess potential causes

    NASA Astrophysics Data System (ADS)

    Griffin, Robert J.; Beckman, Pieter J.; Talbot, Robert W.; Sive, Barkley C.; Varner, Ruth K.

    2007-05-01

    Nitric oxide (NO) and nitrogen dioxide (NO2) were monitored at the University of New Hampshire Atmospheric Observing Station at Thompson Farm (TF) during the ICARTT campaign of summer 2004. Simultaneous measurement of ozone (O3), temperature, and the photolysis rate of NO2 (jNO2) allow for assessment of the O3 photostationary state (Leighton ratio, Φ). Leighton ratios that are significantly greater than unity indicate that peroxy radicals (PO2), halogen monoxides, nitrate radicals, or some unidentified species convert NO to NO2 in excess of the reaction between NO and O3. Deviations from photostationary state occurred regularly at TF (1.0 ≤ Φ ≤ 5.9), particularly during times of low NOx (NOx = NO + NO2). Such deviations were not controlled by dynamics, as indicated by regressions between Φ and several meteorological parameters. Correlation with jNO2 was moderate, indicating that sunlight probably controls nonlinear processes that affect Φ values. Formation of PO2 likely is dominated by oxidation of biogenic hydrocarbons, particularly isoprene, the emission of which is driven by photosynthetically active radiation. Halogen atoms are believed to form via photolysis of halogenated methane compounds. Nitrate radicals are believed to be insignificant. Higher Φ values are associated with lower mixing ratios of isoprene and chloroiodomethane and lower ratios of NOx to total active nitrogen, indicating that photochemical aging may very well lead to increased Φ values. PO2 levels calculated using a zero-dimensional model constrained by measurements from TF can account for 71% of the observed deviations on average. The remainder is assumed to be associated with halogen atoms, most likely iodine, with necessary mixing ratios up to 0.6 or 1.2 pptv, for chlorine and iodine, respectively.

  14. 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.

  15. The lithosphere-asthenosphere system beneath Ireland from integrated geophysical-petrological modeling - I: Observations, 1D and 2D hypothesis testing and modeling

    NASA Astrophysics Data System (ADS)

    Jones, Alan G.; Afonso, Juan Carlos; Fullea, Javier; Salajegheh, Farshad

    2014-02-01

    Modeling the continental lithosphere's physical properties, especially its depth extent, must be done within a self-consistent petrological-geophysical framework; modeling using only one or two data types may easily lead to inconsistencies and erroneous interpretations. Using the LitMod approach for hypothesis testing and first-order modeling, we show how assumptions made about crustal information and the probable compositions of the lithospheric and sub-lithospheric mantle affect particular observables, particularly especially surface topographic elevation. The critical crustal parameter is density, leading to ca. 600 m error in topography for 50 kg m- 3 imprecision. The next key parameter is crustal thickness, and uncertainties in its definition lead to around ca. 4 km uncertainty in LAB for every 1 km of variation in Moho depth. Possible errors in the other assumed crustal parameters introduce a few kilometers of uncertainty in the depth to the LAB. We use Ireland as a natural laboratory to demonstrate the approach. From first-order arguments and given reasonable assumptions, a topographic elevation in the range of 50-100 m, which is the average across Ireland, requires that the lithosphere-asthenosphere boundary (LAB) beneath most of Ireland must lie in the range 90-115 km. A somewhat shallower (to 85 km) LAB is permitted, but the crust must be thinned (< 29 km) to compensate. The observations, especially topography, are inconsistent with suggestions, based on interpretation of S-to-P receiver functions, that the LAB thins from 85 km in southern Ireland to 55 km in central northern Ireland over a distance of < 150 km. Such a thin lithosphere would result in over 1000 m of uplift, and such rapid thinning by 30 km over less than 150 km would yield significant north-south variations in topographic elevation, Bouguer anomaly, and geoid height, none of which are observed. Even juxtaposing the most extreme probable depleted composition for the lithospheric mantle

  16. 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

  17. 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

  18. 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.

  19. Combined treatment with a transforming growth factor beta inhibitor (1D11) and bortezomib improves bone architecture in a mouse model of myeloma-induced bone disease.

    PubMed

    Nyman, Jeffry S; Merkel, Alyssa R; Uppuganti, Sasidhar; Nayak, Bijaya; Rowland, Barbara; Makowski, Alexander J; Oyajobi, Babatunde O; Sterling, Julie A

    2016-10-01

    Multiple myeloma (MM) patients frequently develop tumor-induced bone destruction, yet no therapy completely eliminates the tumor or fully reverses bone loss. Transforming growth factor-β (TGF-β) activity often contributes to tumor-induced bone disease, and pre-clinical studies have indicated that TGF-β inhibition improves bone volume and reduces tumor growth in bone metastatic breast cancer. We hypothesized that inhibition of TGF-β signaling also reduces tumor growth, increases bone volume, and improves vertebral body strength in MM-bearing mice. We treated myeloma tumor-bearing (immunocompetent KaLwRij and immunocompromised Rag2-/-) mice with a TGF-β inhibitory (1D11) or control (13C4) antibody, with or without the anti-myeloma drug bortezomib, for 4weeks after inoculation of murine 5TGM1 MM cells. TGF-β inhibition increased trabecular bone volume, improved trabecular architecture, increased tissue mineral density of the trabeculae as assessed by ex vivo micro-computed tomography, and was associated with significantly greater vertebral body strength in biomechanical compression tests. Serum monoclonal paraprotein titers and spleen weights showed that 1D11 monotherapy did not reduce overall MM tumor burden. Combination therapy with 1D11 and bortezomib increased vertebral body strength, reduced tumor burden, and reduced cortical lesions in the femoral metaphysis, although it did not significantly improve cortical bone strength in three-point bending tests of the mid-shaft femur. Overall, our data provides rationale for evaluating inhibition of TGF-β signaling in combination with existing anti-myeloma agents as a potential therapeutic strategy to improve outcomes in patients with myeloma bone disease. PMID:27423464

  20. 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

  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. Do4Models: Performance of current climate model dust emission schemes from a 1D box model perspective using field campaign data to constrain the simulated dust emission flux

    NASA Astrophysics Data System (ADS)

    Haustein, Karsten; King, James; Wiggs, Giles; Washington, Richard

    2013-04-01

    Dust emission schemes in climate models are relatively simple and are often tuned to represent observed background aerosol concentrations many of which are thousands of kilometres from source regions. Parameterisations of dust emission in numerical models were developed from idealised experiments such as those conducted in wind tunnels. Improvement of current model dust emission schemes has been difficult to achieve because of the paucity of observations from key dust sources. The Dust Observations for Models project (DO4Models) aims to gather data from source regions at a scale appropriate to climate model grid box resolution. Here we present the results of 1D box model simulations in which three commonly used parameterisations for the horizontal and vertical dust emission flux (Marticorena and Bergametti 1995, Alfaro and Gomez 2001, Shao et al. 2004) are applied and compared with Do4Models field campaign data retrieved over a typical salt pan dust source (Sua Pan, Botswana). The sensitivity of the schemes to input parameters such as soil moisture content, aerodynamic surface roughness length, shear velocity, soil texture class, and particle size is tested with particular regard to the representation of horizontal-to-vertical-mass-flux ratio. The effects of spatial averaging over 11 field sites is evaluated as is the average dust emission flux of a typical 12x12km model grid box. It is analysed whether the full range of surface processes (temporal changes in roughness, moisture, and soil conditions) is represented sufficiently well after averaging yet. Furthermore, the application of the dispersed soil size distribution on the performance of the emission schemes compared to the typically used undisturbed soil size distribution provided from soil databases is examined. Preliminary results suggest that the current schemes do not describe the observed emission process well. The scheme after Shao et al. (2004) provides the most accurate horizontal flux estimate so far

  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

    SciTech Connect

    Rinsland, C.P.; Boughner, R.E.; Larsen, J.C.; Goldman, A.

    1984-08-01

    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. 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.

  7. 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)

  8. VALIDATION DATA FOR PHOTOCHEMICAL MECHANISMS

    EPA Science Inventory

    The report describes the Quality Assurance and data processing procedures and systems used at the UNC outdoor smog chamber facility. The facility is used to measure the reactants and products that participate in the photochemical smog formation process. The intent of the Quality ...

  9. The effect of knockout of sulfotransferases 1a1 and 1d1 and of transgenic human sulfotransferases 1A1/1A2 on the formation of DNA adducts from furfuryl alcohol in mouse models.

    PubMed

    Sachse, Benjamin; Meinl, Walter; Glatt, Hansruedi; Monien, Bernhard H

    2014-10-01

    Furfuryl alcohol is a rodent carcinogen present in numerous foodstuffs. Sulfotransferases (SULTs) convert furfuryl alcohol into the DNA reactive and mutagenic 2-sulfoxymethylfuran. Sensitive techniques for the isotope-dilution ultra performance liquid chromatography-tandem mass spectrometry quantification of resulting DNA adducts, e.g. N (2)-((furan-2-yl)methyl)-2'-deoxyguanosine (N (2)-MF-dG), were developed. To better understand the contribution of specific SULT forms to the genotoxicity of furfuryl alcohol in vivo, we studied the tissue distribution of N (2)-MF-dG in different mouse models. Earlier mutagenicity studies with Salmonella typhimurium strains expressing different human and murine SULT forms indicated that human SULT1A1 and murine Sult1a1 and 1d1 catalyze furfuryl alcohol sulfo conjugation most effectively. Here, we used three mouse lines to study the bioactivation of furfuryl alcohol by murine SULTs, FVB/N wild-type (wt) mice and two genetically modified models lacking either murine Sult1a1 or Sult1d1. The animals received a single dose of furfuryl alcohol, and the levels of the DNA adducts were determined in liver, kidney, lung, colon and small intestine. The effect of Sult1d1 gene disruption on the genotoxicity of furfuryl alcohol was moderate and limited to kidney and small intestine. In contrast, the absence of functional Sult1a1 had a massive influence on the adduct levels, which were lowered by 33-73% in all tissues of the female Sult1a1 null mice compared with the wt animals. The detection of high N (2)-MF-dG levels in a humanized mouse line expressing hSULT1A1/1A2 instead of endogeneous Sult1a1 and Sult1d1 supports the hypothesis that furfuryl alcohol is converted to the mutagenic 2-sulfoxymethylfuran also in humans. PMID:25053625

  10. 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%.

  11. 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.

  12. The Photochemical Cycle of Halorhodopsin

    PubMed Central

    Tittor, J.; Oesterhelt, D.; Maurer, R.; Desel, H.; Uhl, R.

    1987-01-01

    Results of experiments using flash photolysis and fast difference spectroscopy suggest an extended version of the earlier published scheme of the photochemical cycle of halorhodopsin. Detailed experimental verification of the suggested photocycle is given. Due to the high resolution of the time-resolved difference spectra, absolute spectra of the intermediates in the photocycle were derived, allowing the interpretation of complex kinetic absorbance changes. PMID:19431713

  13. 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

  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. 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

  16. 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)

  17. 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

  18. 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.

  19. 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...

  20. 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

  1. 1-D models for thin filaments of liquid-crystalline polymers: Coupling of orientation and flow in the stability of simple solutions

    NASA Astrophysics Data System (ADS)

    Gregory Forest, M.; Wang, Qi; Bechtel, Stephen E.

    Slender asymptotic fiber models are derived from Doi-type 3-D equations for free surface flows of liquid-crystalline polymers. Leading order equations and self-consistent corrections are presented for a variety of physical regimes. We then explore the coupling of orientation effects to slender elongational flow behavior, with particular focus on the interplay between the Rayleigh capillary instability and both stabilizing and destabilizing orientation behavior. In the simple context of constant solutions, we identify physical regimes and precise conditions under which the Rayleigh instability may be completely arrested, as well as other regimes where orientation reduces but does not cancel capillary instability. In addition, we identify sources of additional orientation-dominated instabilities that are evident in both the uniaxial and biaxial nematic liquid crystal order parameters. These models and stability analyses lay the foundation for applications to fiber spinning processes.

  2. A numerical method based on the Fourier-Fourier transform approach for modeling 1-D electron plasma evolution. [in earth bow shock region

    NASA Technical Reports Server (NTRS)

    Klimas, A. J.

    1983-01-01

    A numerical method is presented for studying one-dimensional electron plasma evolution under typical interplanetary conditions. The method applies the Fourier-Fourier transform approach to a plasma model that is a generalization of the electrostatic Vlasov-Poisson system of equations. Conservation laws that are modified to include the plasma model generalization and also the boundary effects of nonperiodic solutions are given. A new conservation law for entropy in the transformed space is then introduced. These conservation laws are used to verify the numerical solutions. A discretization error analysis is presented. Two numerical instabilities and the methods used for their suppression are treated. It is shown that in interplanetary plasma conditions, the bump-on-tail instability produces significant excitation of plasma oscillations at the Bohm-Gross frequency and its second harmonic. An explanation of the second harmonic excitation is given in terms of wave-wave coupling during the growth phase of the instability.

  3. 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

  4. Seasonal enhancement of submarine groundwater discharge (SGD)-derived nitrate loading into the Ria Formosa coastal lagoon assessed by 1-D modeling of benthic NO3- profiles

    NASA Astrophysics Data System (ADS)

    Ibánhez, J. Severino P.; Leote, Catarina; Rocha, Carlos

    2013-11-01

    The role of benthic sandy ecosystems in mitigating NO3- loads carried by Submarine Groundwater Discharge (SGD) to coastal marine ecosystems is uncertain. Benthic biogeochemical mediation of NO3--rich submarine groundwater discharge was studied at the seepage face of a barrier island site in the Ria Formosa coastal lagoon (Southern Portugal). Preliminary analysis of NO3- porewater distributions at the seepage face during discharge indicated that benthic biogeochemical processes could significantly affect the fluxes of groundwater-borne NO3- into the lagoon. In order to discriminate between the relative contribution of transport and reaction processes to shape and concentration range evidenced by in-situ porewater NO3- gradients, an advection-dispersion-reaction (ADR) model of NO3- diagenesis was applied to describe NO3- porewater profiles obtained in March, June, September and December 2006. Good agreement between modeled and measured profiles was obtained. Model-derived apparent benthic nitrification and NO3- reduction rates ranged from 0.01 to 5.2 mmol m-2 h-1, sufficient to explain gross observed changes in NO3- fluxes arriving at the seepage face (up to 70% within the surficial 20 cm depth layer). Results of the analysis indicated that the upper limit of the seepage face promoted mitigation of NO3- fluxes to the lagoon throughout the year. In contrast, the lower limit of the seepage area promoted net amplification of the NO3- fluxes into the lagoon in June and September. These results will help constrain further work aiming to clarify the role of permeable sediments in mitigating nitrogen loading of coastal ecosystems.

  5. 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

  6. 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.

  7. Generating virtual textile composite specimens using statistical data from micro-computed tomography: 1D tow representations for the Binary Model

    NASA Astrophysics Data System (ADS)

    Blacklock, Matthew; Bale, Hrishikesh; Begley, Matthew; Cox, Brian

    2012-03-01

    A Monte Carlo algorithm is defined for generating replicas of textile composite specimens that possess the same statistical characteristics as specimens imaged using high resolution computed tomography. The textile reinforcement is represented by one-dimensional tow loci in three-dimensional space, which are easily incorporated into the Binary Model of textile composites. A tow locus is expressed as the sum of non-stochastic, periodic variations in the coordinates of the tow centroid and stochastic, non-periodic deviations. The non-stochastic variations have period commensurate with the dimensions of the unit cell of the textile, while the stochastic deviations, which describe geometrical defects, exhibit correlation lengths that may be incommensurate with the unit cell. The model is calibrated with data deduced in prior work from computed tomography images. The calibration obviates the need for assuming any ideal shape functions for the tow loci, which can take very general form. The approach is therefore valid for a wide range of textile architectures. Once calibrated, a Markov Chain algorithm can generate numerous stochastic replicas of a textile architecture very rapidly. These virtual specimens can be much larger than the real specimens from which the data were originally gathered, a necessary feature when real specimen size is limited by the nature of high resolution computed tomography. The virtual specimen generator is illustrated using data for an angle interlock weave.

  8. 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.

  9. 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

  10. Influence of meteorological variability on primary production dynamics in the Ligurian Sea (NW Mediterranean Sea) with a 1D hydrodynamic/biological model

    NASA Astrophysics Data System (ADS)

    Lacroix, G.; Nival, P.

    1998-09-01

    In order to estimate the effects of the meteorological variability on the gross primary production in the Ligurian Sea (NW Mediterranean Sea), a coupling between a hydrodynamic model and a biological one is realized. The one-dimensional version of the GHER hydrodynamic model includes heat and momentum exchanges at the air-sea interface. It is coupled with a simple food-web model from the LEPM. A simulation performed with real meteorological data for the year 1985 reproduces reasonably the seasonal phytoplanktonic dynamics and the distribution between diatoms and flagellates. From this simulation, an annual gross primary production integrated over 200 m of 46.4 g C m -2 year -1 is computed which is representative of an oligotrophic environment. In order to estimate the relative effect on the gross primary production of the meteorological variability on the one hand and of the initial conditions on the other hand, several runs have been performed for the year 1985 with different conditions of light, wind intensity and nitrate initial quantity. The first simulations are performed with daily and monthly mean solar radiation and wind intensity. An averaging of wind intensity yields a decrease in the gross primary production and leads to unrealistic phytoplankton dynamics. It seems then necessary to take into account the 3-hourly variability of the wind intensity in order to simulate the phytoplankton dynamics with relatively good accuracy. On the other hand, an averaging of the solar radiation leads to an increase in the gross primary production. The following simulations are performed with an increase (decrease) in the solar radiation, the wind intensity or the nitrate initial quantity which are representative of the variability observed in a 5-year set of meteorological and hydrobiological data (1984-1988). An increase in the solar radiation is found to reduce the gross primary production, while an increase in the initial nitrate quantity or the wind intensity leads

  11. 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)

  12. Subsurface Xenon Migration by Atmospheric Pumping Using an Implicit Non-Iterative Algorithm for a Locally 1D Dual-Porosity Model

    NASA Astrophysics Data System (ADS)

    Annewandter, R.; Kalinowksi, M. B.

    2009-04-01

    An underground nuclear explosion injects radionuclids in the surrounding host rock creating an initial radionuclid distribution. In the case of fractured permeable media, cyclical changes in atmospheric pressure can draw gaseous species upwards to the surface, establishing a ratcheting pump effect. The resulting advective transport is orders of magnitude more significant than transport by molecular diffusion. In the 1990s the US Department of Energy funded the socalled Non-Proliferation Experiment conducted by the Lawrence Livermore National Laboratory to investigate this barometric pumping effect for verifying compliance with respect to the Comprehensive Nuclear Test Ban Treaty. A chemical explosive of approximately 1 kt TNT-equivalent has been detonated in a cavity located 390 m deep in the Rainier Mesa (Nevada Test Site) in which two tracer gases were emplaced. Within this experiment SF6 was first detected in soil gas samples taken near fault zones after 50 days and 3He after 325 days. For this paper a locally one-dimensional dual-porosity model for flow along the fracture and within the permeable matrix was used after Nilson and Lie (1990). Seepage of gases and diffusion of tracers between fracture and matrix are accounted. The advective flow along the fracture and within the matrix block is based on the FRAM filtering remedy and methodology of Chapman. The resulting system of equations is solved by an implicit non-iterative algorithm. Results on time of arrival and subsurface concentration levels for the CTBT-relevant xenons will be presented.

  13. 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

  14. 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.

  15. 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

  16. Model Calculations on One-Dimensional (1D) Poly-Decker Sandwich Compounds. A Crystal Orbital Investigation Based on the Tight-Binding Formalism

    NASA Astrophysics Data System (ADS)

    Böhm, Michael C.

    1984-03-01

    The band structures of 11 one-dimensional (ID) poly-decker sandwich compounds with dif­ferent transition metal centers M (M = Mn, Fe, Co, Ni, Cu, Zn) and a variety of fivemembered π ligands L from the cyclopentadienyl moiety (C5H5) to the pure boron ring B5H5 have been studied by means of a semiempirical crystal orbital procedure based on the INDO approxima­tion in order to allow a priori predictions on possible semiconducting or conducting low-dimen­sional materials composed by ML fragments. To determine the (numerically) different self­energy corrections (i.e. long-range and short-range "correlations") in the transition metal 3d spines and the ligand backbones approximate quasi-particle shifts have been employed for the correction of the Hartree-Fock (HF) band energies. The band structure properties (e.g., dispersion curves, density of states distributions, effective mass parameters, propagation times of charge carriers) are discussed in the light of the semiempirical tight-binding approach. It is shown that the forbidden band gaps are reduced with an increasing number of B atoms in the π ligands. The gap in the Mn(C5H5) stack amounts to 8.27 eV, while overlapping dispersion curves are predicted in the Zn(B5H5) derivative. This model polymer is the only intrinsic conductor in the series of the studied ID metallocenes; all other compounds require injected charge carriers (electrons or holes) in order to achieve partially filled bands. Injected holes in the Mn or Fe backbones lead to ID materials with conducting 3d spines; the charge transfer in this regime is best described as some type of hopping motion. The remaining poly-decker strands belong to the class of organic metals (injected carriers) with conductive pathways that are formed by diffuse ligand states leading to transfer processes that can be rationalized in terms of a band picture. The rotational profiles and the magnitudes of intracell and intercell interactions are also studied. The band

  17. Evaluation of the causes of inundation in a repeatedly flooded zone in the city of Cheongju, Korea, using a 1D/2D model.

    PubMed

    Park, In-Hyeok; Lee, Jeong-Yong; Lee, Ji-Heon; Ha, Sung-Ryong

    2014-01-01

    Currently, unprecedented levels of damage arising from major weather events have been experienced in a number of major cities worldwide. Furthermore, the frequency and the scale of these disasters appear to be increasing and this is viewed by some as tangible proof of climate change. In the urbanized areas sewer overflows and resulting inundation are attributed to the conversion of previous surfaces into impervious surfaces, resulting in increased volumes of runoff which exceed the capacity of sewer systems and in particular combined sewer systems. In this study, the characteristics of sewer overflows and inundation have been analyzed in a repeatedly flooded zone in the city of Cheongju in Korea. This included an assessment of inundation in a 50-year storm event with total rainfall of 165 mm. A detailed XP-SWMM 2D model was assembled and run to simulate the interaction of the sewage system overflows and surface inundation to determine if inundation is due to hydraulic capacity limitations in the sewers or limitations in surface inlet capacities or a combination of both. Calibration was undertaken using observation at three locations (PT #1, PT #2, PT #3) within the study area. In the case of the subsurface flow calibration, R(2) value of 0.91 and 0.78 respectively were achieved at PT #1 and PT #2. Extremely good agreement between observed and predicted surface flow depths was achieved also at PT #1 and PT #2. However, at PT #3 the predicted flow depth was 4 cm lower than the observed depth, which was attributed to the impact of buildings on the local flow distribution. Areas subject to flooding were classified as either Type A (due to insufficient hydraulic capacity of a sewer), Type B (which is an area without flooding notwithstanding insufficient hydraulic capacity of a sewer) or Type C (due to inlet limitations, i.e. there is hydraulic capacity in a sewer which is not utilized). In the total flooded zone, 24% was classified as Type A (10.2 ha) and 25% was

  18. 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

  19. 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.

  20. Photochemical Models for Mars' Upper Atmosphere and Ionosphere at Low, Medium, and High Solar Activity: Implications for H2, D, and Evolution of Water

    NASA Astrophysics Data System (ADS)

    Krasnopolsky, V. A.

    2002-05-01

    Self-consistent models for 11 neutral and 18 ion species from 80 to 300 km on Mars have been developed by solving the continuity equations including ambipolar diffusion for ions. The models were calculated for the conditions of the HST, FUSE, and Mariner 6, 7 observations of D, H2, and H, respectively, when solar activity index was 25, 61, and 88 on Mars orbit, respectively. Special care was taken to simulate the processes of H2 and HD dissociation in the reactions with CO2+, O+, CO+, N2+, N+, Ar+, O(1D), and by photoelectrons. Thermal and nonthermal escape velocities were used as the upper boundary conditions for H2, H, HD, D, and He. The calculated ion density profiles at various solar activity and the column reaction rates provide complete quantitative information for behavior of each ion, its formation and loss. The HCO+ ion is abundant in Mars' ionosphere because it is a final product of many reactions of other ions with H2 and does not react with neutral species. The H2 and D mixing ratios of 15 ppm and 11 ppb chosen to fit the FUSE and HST observations of H2 and D, respectively, result in (HD/H2)/(HDO/H2O) = 0.41. This value agrees with the depletion of D in H2 because of the smaller HDO photolysis cross section, the preferential condensation of HDO above the hygropause, and the fractionation in chemical reactions that result in the formation of H2. Therefore the controversial problem of deuterium fractionation is solved throughout the atmosphere. Isotope fractionation factor for hydrogen escape is equal to 0.055, 0.082, and 0.167 for low, medium, and high solar activity, respectively, and the solar cycle mean value is 0.105. The polar caps shrink or dissappear at high obliquity, and water in the polar caps is in isotopic equilibrium with the atmospheric water. Using the water amount of 14 m in the polar caps, the fractionation factor, the present D/H ratio and that at the end of hydrodynamic escape (5.5 and 1.9 times the terrestrial ratio, respectively

  1. 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