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Sample records for mesoscale nonhydrostatic chemistry

  1. A shallow convection parameterization for the non-hydrostatic MM5 mesoscale model

    Seaman, N.L.; Kain, J.S.; Deng, A. [Pennsylvania State Univ., University Park, PA (United States)

    1996-04-01

    A shallow convection parameterization suitable for the Pennsylvannia State University (PSU)/National Center for Atmospheric Research nonhydrostatic mesoscale model (MM5) is being developed at PSU. The parameterization is based on parcel perturbation theory developed in conjunction with a 1-D Mellor Yamada 1.5-order planetary boundary layer scheme and the Kain-Fritsch deep convection model.

  2. Development of extended WRF variational data assimilation system (WRFDA) for WRF non-hydrostatic mesoscale model

    Pattanayak, Sujata; Mohanty, U. C.

    2018-06-01

    The paper intends to present the development of the extended weather research forecasting data assimilation (WRFDA) system in the framework of the non-hydrostatic mesoscale model core of weather research forecasting system (WRF-NMM), as an imperative aspect of numerical modeling studies. Though originally the WRFDA provides improved initial conditions for advanced research WRF, we have successfully developed a unified WRFDA utility that can be used by the WRF-NMM core, as well. After critical evaluation, it has been strategized to develop a code to merge WRFDA framework and WRF-NMM output. In this paper, we have provided a few selected implementations and initial results through single observation test, and background error statistics like eigenvalues, eigenvector and length scale among others, which showcase the successful development of extended WRFDA code for WRF-NMM model. Furthermore, the extended WRFDA system is applied for the forecast of three severe cyclonic storms: Nargis (27 April-3 May 2008), Aila (23-26 May 2009) and Jal (4-8 November 2010) formed over the Bay of Bengal. Model results are compared and contrasted within the analysis fields and later on with high-resolution model forecasts. The mean initial position error is reduced by 33% with WRFDA as compared to GFS analysis. The vector displacement errors in track forecast are reduced by 33, 31, 30 and 20% to 24, 48, 72 and 96 hr forecasts respectively, in data assimilation experiments as compared to control run. The model diagnostics indicates successful implementation of WRFDA within the WRF-NMM system.

  3. File Specification for the 7-km GEOS-5 Nature Run, Ganymed Release Non-Hydrostatic 7-km Global Mesoscale Simulation

    da Silva, Arlindo M.; Putman, William; Nattala, J.

    2014-01-01

    This document describes the gridded output files produced by a two-year global, non-hydrostatic mesoscale simulation for the period 2005-2006 produced with the non-hydrostatic version of GEOS-5 Atmospheric Global Climate Model (AGCM). In addition to standard meteorological parameters (wind, temperature, moisture, surface pressure), this simulation includes 15 aerosol tracers (dust, sea-salt, sulfate, black and organic carbon), O3, CO and CO2. This model simulation is driven by prescribed sea-surface temperature and sea-ice, daily volcanic and biomass burning emissions, as well as high-resolution inventories of anthropogenic sources. A description of the GEOS-5 model configuration used for this simulation can be found in Putman et al. (2014). The simulation is performed at a horizontal resolution of 7 km using a cubed-sphere horizontal grid with 72 vertical levels, extending up to to 0.01 hPa (approximately 80 km). For user convenience, all data products are generated on two logically rectangular longitude-latitude grids: a full-resolution 0.0625 deg grid that approximately matches the native cubed-sphere resolution, and another 0.5 deg reduced-resolution grid. The majority of the full-resolution data products are instantaneous with some fields being time-averaged. The reduced-resolution datasets are mostly time-averaged, with some fields being instantaneous. Hourly data intervals are used for the reduced-resolution datasets, while 30-minute intervals are used for the full-resolution products. All full-resolution output is on the model's native 72-layer hybrid sigma-pressure vertical grid, while the reduced-resolution output is given on native vertical levels and on 48 pressure surfaces extending up to 0.02 hPa. Section 4 presents additional details on horizontal and vertical grids. Information of the model surface representation can be found in Appendix B. The GEOS-5 product is organized into file collections that are described in detail in Appendix C. Additional

  4. Description and Evaluation of the Multiscale Online Nonhydrostatic AtmospheRe CHemistry Model (NMMB-MONARCH) Version 1.0: Gas-Phase Chemistry at Global Scale

    Badia, Alba; Jorba, Oriol; Voulgarakis, Apostolos; Dabdub, Donald; Garcia-Pando, Carlos Perez; Hilboll, Andreas; Goncalves, Maria; Janjic, Zavisa

    2017-01-01

    This paper presents a comprehensive description and benchmark evaluation of the tropospheric gas-phase chemistry component of the Multiscale Online Nonhydrostatic AtmospheRe CHemistry model (NMMBMONARCH), formerly known as NMMB/BSC-CTM, that can be run on both regional and global domains. Here, we provide an extensive evaluation of a global annual cycle simulation using a variety of background surface stations (EMEP, WDCGG and CASTNET), ozonesondes (WOUDC, CMD and SHADOZ), aircraft data (MOZAIC and several campaigns), and satellite observations (SCIAMACHY and MOPITT).We also include an extensive discussion of our results in comparison to other state-of-the-art models. We note that in this study, we omitted aerosol processes and some natural emissions (lightning and volcano emissions). The model shows a realistic oxidative capacity across the globe. The seasonal cycle for CO is fairly well represented at different locations (correlations around 0.3-0.7 in surface concentrations), although concentrations are underestimated in spring and winter in the Northern Hemisphere, and are overestimated throughout the year at 800 and 500 hPa in the Southern Hemisphere. Nitrogen species are well represented in almost all locations, particularly NO2 in Europe (root mean square error - RMSE - below 5 ppb). The modeled vertical distributions of NOx and HNO3 are in excellent agreement with the observed values and the spatial and seasonal trends of tropospheric NO2 columns correspond well to observations from SCIAMACHY, capturing the highly polluted areas and the biomass burning cycle throughout the year. Over Asia, the model underestimates NOx from March to August, probably due to an underestimation of NOx emissions in the region. Overall, the comparison of the modeled CO and NO2 with MOPITT and SCIAMACHY observations emphasizes the need for more accurate emission rates from anthropogenic and biomass burning sources (i.e., specification of temporal variability).

  5. Extending atomistic scale chemistry to mesoscale model of condensed-phase deflagration

    Joshi, Kaushik; Chaudhuri, Santanu

    2017-01-01

    Predictive simulations connecting chemistry that follow the shock or thermal initiation of energetic materials to subsequent deflagration or detonation events is currently outside the realm of possibilities. Molecular dynamics and first-principles based dynamics have made progress in understanding reactions in picosecond to nanosecond time scale. Results from thermal ignition of different phases of RDX show a complex reaction network and emergence of a deterministic behavior for critical temperature before ignition and hot spot growth rates. The kinetics observed is dependent on the hot spot temperature, system size and thermal conductivity. For cases where ignition is observed, the incubation period is dominated by intermolecular and intramolecular hydrogen transfer reactions. The gradual temperature and pressure increase in the incubation period is accompanied by accumulation of heavier polyradicals. The challenge of connecting such chemistry in mesoscale simulations remain in reducing the complexity of chemistry. The hot spot growth kinetics in RDX grains and interfaces is an important challenge for reactive simulations aiming to fill in the gaps in our knowledge in the nanoseconds to microseconds time scale. The results discussed indicate that the mesoscale chemistry may include large polyradical molecules in dense reactive mix reaching an instability point at certain temperatures and pressures.

  6. for WRF Non-hydrostatic Mesoscale Model

    8

    School of Earth Ocean and Climate Sciences,. Indian Institute of Technology, Bhubaneswar. Toshali Bhavan, Satya Nagar, Bhubaneswar-751007. INDIA .... vertically propagating sound waves, Adams-Bashforth scheme for horizontal advection, ... (refractivity & radial velocity), GPS (refractivity & Total Zenith delay) data.

  7. Impact of two chemistry mechanisms fully coupled with mesoscale model on the atmospheric pollutants distribution

    Arteta, J.; Cautenet, S.; Taghavi, M.; Audiffren, N.

    time on SGI 3800 with 30 processors). Simplified mechanisms are really important to study cases for which an online coupling is necessary between meso-scale and chemistry models (clouds or aerosols plumes impacts, highly variable meteorology).

  8. A Method of Upgrading a Hydrostatic Model to a Nonhydrostatic Model

    Chi-Sann Liou

    2009-01-01

    Full Text Available As the sigma-p coordinate under hydrostatic approximation can be interpreted as the mass coordinate with out the hydro static approximation, we propose a method that up grades a hydro static model to a nonhydrostatic model with relatively less effort. The method adds to the primitive equations the extra terms omitted by the hydro static approximation and two prognostic equations for vertical speed w and nonhydrostatic part pres sure p'. With properly formulated governing equations, at each time step, the dynamic part of the model is first integrated as that for the original hydro static model and then nonhydrostatic contributions are added as corrections to the hydro static solutions. In applying physical parameterizations after the dynamic part integration, all physics pack ages of the original hydro static model can be directly used in the nonhydrostatic model, since the up graded nonhydrostatic model shares the same vertical coordinates with the original hydro static model. In this way, the majority codes of the nonhydrostatic model come from the original hydro static model. The extra codes are only needed for the calculation additional to the primitive equations. In order to handle sound waves, we use smaller time steps in the nonhydrostatic part dynamic time integration with a split-explicit scheme for horizontal momentum and temperature and a semi-implicit scheme for w and p'. Simulations of 2-dimensional mountain waves and density flows associated with a cold bubble have been used to test the method. The idealized case tests demonstrate that the pro posed method realistically simulates the nonhydrostatic effects on different atmospheric circulations that are revealed in the oretical solutions and simulations from other nonhydrostatic models. This method can be used in upgrading any global or mesoscale models from a hydrostatic to nonhydrostatic model.

  9. Development and application of a chemistry mechanism for mesoscale simulations of the troposphere and lower stratosphere

    Lippert, E.; Hendricks, J.; Petry, H. [Cologne Univ. (Germany). Inst. for Geophysics and Meteorology

    1997-12-31

    A new chemical mechanism is applied for mesoscale simulations of the impact of aircraft exhausts on the atmospheric composition. The temporal and spatial variation of the tropopause height is associated with a change of the trace gas composition in these heights. Box and three dimensional mesoscale model studies show that the conversion of aircraft exhausts depends strongly on the cruise heights as well as on the location of release in relation to the tropopause. The impact of aircraft emissions on ozone is strongly dependent on the individual meteorological situation. A rising of the tropopause height within a few days results in a strong increase of ozone caused by aircraft emissions. (author) 12 refs.

  10. Development and application of a chemistry mechanism for mesoscale simulations of the troposphere and lower stratosphere

    Lippert, E; Hendricks, J; Petry, H [Cologne Univ. (Germany). Inst. for Geophysics and Meteorology

    1998-12-31

    A new chemical mechanism is applied for mesoscale simulations of the impact of aircraft exhausts on the atmospheric composition. The temporal and spatial variation of the tropopause height is associated with a change of the trace gas composition in these heights. Box and three dimensional mesoscale model studies show that the conversion of aircraft exhausts depends strongly on the cruise heights as well as on the location of release in relation to the tropopause. The impact of aircraft emissions on ozone is strongly dependent on the individual meteorological situation. A rising of the tropopause height within a few days results in a strong increase of ozone caused by aircraft emissions. (author) 12 refs.

  11. Energy- and humidity-budget of the non-hydrostatic mesoscale model GESIMA by nesting into the regional climate model REMO; Energie- und Feuchtehaushalt im nichthydrostatischen Mesoskalamodell GESIMA bei Nestung in das Regionalklimamodell REMO

    Horneffer, K. [GKSS-Forschungszentrum Geesthacht GmbH (Germany). Inst. fuer Gewaesserphysik]|[Hamburg Univ. (Germany). Fachbereich 15 - Geowissenschaften

    1997-12-31

    The `Geesthacht Simulationsmodel of the Atmosphere` (GESIMA) was nested into the `Regional Climate Model` (REMO). Exemplary studies prove that the presented nesting scheme is suitable to resolve subscale phenomena in the regional climate model. Some results of simulations above the island Gotland in the Baltic Sea were presented. The mesoscale model GESIMA could now be used to analyze real synoptic weather situations. (orig.) [Deutsch] Das Geesthachter Simulationsmodell der Atmosphaere (GESIMA) wird in das Regionalklimamodell (REMO) genestet. Beispielhafte Untersuchungen zeigen, dass mit der genesteten Modellversion subskalige Effekte, die durch das grobe Raster des Regionalklimamodells fallen, aufgeloest werden. Dies wird anhand von Simulationen ueberprueft. Hauptuntersuchungsgegenstand ist die Insel Gotland in der Ostsee. Duch die Nestung kann das Mesoskalamodell fuer tatsaechliche synoptische Situationen eingesetzt werden. (orig.)

  12. Meso-scale modeling of air pollution transport/chemistry/deposition and its application

    Kitada, Toshihiro

    2007-01-01

    Transport/chemistry/deposition model for atmospheric trace chemical species is now regarded as an important tool for an understanding of the effects of various human activities, such as fuel combustion and deforestation, on human health, eco-system, and climate and for planning of appropriate control of emission sources. Several 'comprehensive' models have been proposed such as RADM (Chang, et al., 1987), STEM-II (Carmichael, et al., 1986), and CMAQ (Community Multi-scale Air Quality model, e.g., EPA website, 2003); the 'comprehensive' models include not only gas/aerosol phase chemistry but also aqueous phase chemistry in cloud/rain water in addition to the processes of advection, diffusion, wet deposition (mass transfer between aqueous and gas/aerosol phases), and dry deposition. The target of the development of the 'comprehensive' model will be that the model can correctly reproduce mass balance of various chemical species in the atmosphere with keeping adequate accuracy for calculated concentration distributions of chemical species. For the purpose, one of the important problems is a reliable wet deposition modeling, and here, we introduce two types of methods of 'cloud-resolving' and 'non-cloud-resolving' modeling for the wet deposition of pollutants. (author)

  13. (WRFDA) for WRF non-hydrostatic mesoscale model

    Sujata Pattanayak

    2018-05-22

    May 22, 2018 ... Keywords. WRF-NMM; WRFDA; single observation test; eigenvalues; eigenvector; correlation; tropical .... The per- turbation variables here are defined as deviations ..... Synop, Sound, Metar, Pilot, Buoy, Ships, Airep,. Geoamv ...

  14. Parameterization of phase change of water in a mesoscale model

    Levkov, L; Eppel, D; Grassl, H

    1987-01-01

    A parameterization scheme of phase change of water is suggested to be used in the 3-D numerical nonhydrostatic model GESIMA. The microphysical formulation follows the so-called bulk technique. With this procedure the net production rates in the balance equations for water and potential temperature are given both for liquid and ice-phase. Convectively stable as well as convectively unstable mesoscale systems are considered. With 2 figs..

  15. A Numerical Study of Nonlinear Nonhydrostatic Conditional Symmetric Instability in a Convectively Unstable Atmosphere.

    Seman, Charles J.

    1994-06-01

    Nonlinear nonhydrostatic conditional symmetric instability (CSI) is studied as an initial value problem using a two-dimensional (y, z)nonlinear, nonhydrostatic numerical mesoscale/cloud model. The initial atmosphere for the rotating, baroclinic (BCF) simulation contains large convective available potential energy (CAPE). Analytical theory, various model output diagnostics, and a companion nonrotating barotropic (BTNF) simulation are used to interpret the results from the BCF simulation. A single warm moist thermal initiates convection for the two 8-h simulations.The BCF simulation exhibited a very intricate life cycle. Following the initial convection, a series of discrete convective cells developed within a growing mesoscale circulation. Between hours 4 and 8, the circulation grew upscale into a structure resembling that of a squall-line mesoscale convective system (MCS). The mesoscale updrafts were nearly vertical and the circulation was strongest on the baroclinically cool side of the initial convection, as predicted by a two-dimensional Lagrangian parcel model of CSI with CAPE. The cool-side mesoscale circulation grew nearly exponentially over the last 5 h as it slowly propagated toward the warm air. Significant vertical transport of zonal momentum occurred in the (multicellular) convection that developed, resulting in local subgeostrophic zonal wind anomalies aloft. Over time, geostrophic adjustment acted to balance these anomalies. The system became warm core, with mesohigh pressure aloft and mesolow pressure at the surface. A positive zonal wind anomaly also formed downstream from the mesohigh.Analysis of the BCF simulation showed that convective momentum transport played a key role in the evolution of the simulated MCS, in that it fostered the development of the nonlinear CSI on mesoscale time scales. The vertical momentum transport in the initial deep convection generated a subgeostrophic zonal momentum anomaly aloft; the resulting imbalance in pressure

  16. A cloud chemistry module for the 3-D cloud-resolving mesoscale model Meso-NH with application to idealized cases

    M. Leriche

    2013-08-01

    Full Text Available A complete chemical module has been developed for use in the Meso-NH three-dimensional cloud resolving mesoscale model. This module includes gaseous- and aqueous-phase chemical reactions that are analysed by a pre-processor generating the Fortran90 code automatically. The kinetic solver is based on a Rosenbrock algorithm, which is robust and accurate for integrating stiff systems and especially multiphase chemistry. The exchange of chemical species between the gas phase and cloud droplets and raindrops is computed kinetically by mass transfers considering non-equilibrium between the gas- and the condensed phases. Microphysical transfers of chemical species are considered for the various cloud microphysics schemes available, which are based on one-moment or two-moment schemes. The pH of the droplets and of the raindrops is diagnosed separately as the root of a high order polynomial equation. The chemical concentrations in the ice phase are modelled in a single phase encompassing the two categories of precipitating ice particles (snow and graupel of the microphysical scheme. The only process transferring chemical species in ice is retention during freezing or riming of liquid hydrometeors. Three idealized simulations are reported, which highlight the sensitivity of scavenging efficiency to the choice of the microphysical scheme and the retention coefficient in the ice phase. A two-dimensional warm, shallow convection case is used to compare the impact of the microphysical schemes on the temporal evolution and rates of acid precipitation. Acid wet deposition rates are shown to be overestimated when a one-moment microphysics scheme is used compared to a two-moment scheme. The difference is induced by a better prediction of raindrop radius and raindrop number concentration in the latter scheme. A two-dimensional mixed-phase squall line and a three-dimensional mixed-phase supercell were simulated to test the sensitivity of cloud vertical transport to

  17. Modelling non-hydrostatic processes in sill regions

    Souza, A.; Xing, J.; Davies, A.; Berntsen, J.

    2007-12-01

    We use a non-hydrostatic model to compute tidally induced flow and mixing in the region of bottom topography representing the sill at the entrance to Loch Etive (Scotland). This site is chosen since detailed measurements were recently made there. With non-hydrostatic dynamics in the model our results showed that the model could reproduce the observed flow characteristics, e.g., hydraulic transition, flow separation and internal waves. However, when calculations were performed using the model in the hydrostatic form, significant artificial convective mixing occurred. This influenced the computed temperature and flow field. We will discuss in detail the effects of non-hydrostatic dynamics on flow over the sill, especially investigate non-linear and non-hydrostatic contributions to modelled internal waves and internal wave energy fluxes.

  18. Non-hydrostatic layered flows over a sill

    Jamali, Mirmosadegh

    2013-01-01

    This work takes a new approach to solving non-hydrostatic equations of layered flows over bottom topography. A perturbation technique is used to find explicit expressions for a flow for different regimes of single- and two-layer flows over a sill. Excellent agreement with previous solutions and experimental data is obtained, and more details of the non-hydrostatic flow over a sill are revealed. The proposed method is simple and compact and removes the need for complex numerical techniques to solve the non-hydrostatic equations. It is shown that in the approach-controlled regime of two-layer flow over a sill, the flow upstream and farther downstream the sill crest can be described by the hydrostatic theory, and the flow is non-hydrostatic over only a short distance on the downstream side of the crest. (paper)

  19. The dynamic background of a non-hydrostatic mesoscale model of the atmospheric circulation

    Kapitza, H.

    1987-01-01

    The anelastically approximated basic equations are transformed into a rectangular computational domain. The integration is performed with the McCormack-Scheme, while the pressure is calculated by a CG-method (KAPITZA and EPPEL, 1987). Useful boundary conditions are discussed. The model is tested with stratified flow over isolated hills. Analytic solutions derived from the linearized equations are compared with results of the linear model version. Very good agreement is found as long as wave reflexions at the upper boundary are prevented. With 27 figs [de

  20. Modeling mesoscale eddies

    Canuto, V. M.; Dubovikov, M. S.

    Mesoscale eddies are not resolved in coarse resolution ocean models and must be modeled. They affect both mean momentum and scalars. At present, no generally accepted model exists for the former; in the latter case, mesoscales are modeled with a bolus velocity u∗ to represent a sink of mean potential energy. However, comparison of u∗(model) vs. u∗ (eddy resolving code, [J. Phys. Ocean. 29 (1999) 2442]) has shown that u∗(model) is incomplete and that additional terms, "unrelated to thickness source or sinks", are required. Thus far, no form of the additional terms has been suggested. To describe mesoscale eddies, we employ the Navier-Stokes and scalar equations and a turbulence model to treat the non-linear interactions. We then show that the problem reduces to an eigenvalue problem for the mesoscale Bernoulli potential. The solution, which we derive in analytic form, is used to construct the momentum and thickness fluxes. In the latter case, the bolus velocity u∗ is found to contain two types of terms: the first type entails the gradient of the mean potential vorticity and represents a positive contribution to the production of mesoscale potential energy; the second type of terms, which is new, entails the velocity of the mean flow and represents a negative contribution to the production of mesoscale potential energy, or equivalently, a backscatter process whereby a fraction of the mesoscale potential energy is returned to the original reservoir of mean potential energy. This type of terms satisfies the physical description of the additional terms given by [J. Phys. Ocean. 29 (1999) 2442]. The mesoscale flux that enters the momentum equations is also contributed by two types of terms of the same physical nature as those entering the thickness flux. The potential vorticity flux is also shown to contain two types of terms: the first is of the gradient-type while the other terms entail the velocity of the mean flow. An expression is derived for the mesoscale

  1. Simulation of Venus polar vortices with the non-hydrostatic general circulation model

    Rodin, Alexander V.; Mingalev, Oleg; Orlov, Konstantin

    2012-07-01

    The dynamics of Venus atmosphere in the polar regions presents a challenge for general circulation models. Numerous images and hyperspectral data from Venus Express mission shows that above 60 degrees latitude atmospheric motion is substantially different from that of the tropical and extratropical atmosphere. In particular, extended polar hoods composed presumably of fine haze particles, as well as polar vortices revealing mesoscale wave perturbations with variable zonal wavenumbers, imply the significance of vertical motion in these circulation elements. On these scales, however, hydrostatic balance commonly used in the general circulation models is no longer valid, and vertical forces have to be taken into account to obtain correct wind field. We present the first non-hydrostatic general circulation model of the Venus atmosphere based on the full set of gas dynamics equations. The model uses uniform grid with the resolution of 1.2 degrees in horizontal and 200 m in the vertical direction. Thermal forcing is simulated by means of relaxation approximation with specified thermal profile and time scale. The model takes advantage of hybrid calculations on graphical processors using CUDA technology in order to increase performance. Simulations show that vorticity is concentrated at high latitudes within planetary scale, off-axis vortices, precessing with a period of 30 to 40 days. The scale and position of these vortices coincides with polar hoods observed in the UV images. The regions characterized with high vorticity are surrounded by series of small vortices which may be caused by shear instability of the zonal flow. Vertical velocity component implies that in the central part of high vorticity areas atmospheric flow is downwelling and perturbed by mesoscale waves with zonal wavenumbers 1-4, resembling observed wave structures in the polar vortices. Simulations also show the existence of areas with strong vertical flow, concentrated in spiral branches extending

  2. Chemistry

    Ferris, L.M.

    1975-01-01

    The chemical research and development efforts related to the design and ultimate operation of molten-salt breeder reactor systems are concentrated on fuel- and coolant-salt chemistry, including the development of analytical methods for use in these systems. The chemistry of tellurium in fuel salt is being studied to help elucidate the role of this element in the intergranular cracking of Hastelloy N. Studies were continued of the effect of oxygen-containing species on the equilibrium between dissolved UF 3 and dissolved UF 4 , and, in some cases, between the dissolved uranium fluorides and graphite, and the UC 2 . Several aspects of coolant-salt chemistry are under investigation. Hydroxy and oxy compounds that could be formed in molten NaBF 4 are being synthesized and characterized. Studies of the chemistry of chromium (III) compounds in fluoroborate melts were continued as part of a systematic investigation of the corrosion of structural alloys by coolant salt. An in-line voltammetric method for determining U 4+ /U 3+ ratios in fuel salt was tested in a forced-convection loop over a six-month period. (LK)

  3. Mesoscale Connections Summer 2017

    Kippen, Karen Elizabeth [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Bourke, Mark Andrew M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-06-21

    Our challenge derives from the fact that in metals or explosives grains, interfaces and defects control engineering performance in ways that are neither amenable to continuum codes (which fail to rigorously describe the heterogeneities derived from microstructure) nor computationally tractable to first principles atomistic calculations. This is a region called the mesoscale, which stands at the frontier of our desire to translate fundamental science insights into confidence in aging system performance over the range of extreme conditions relevant in a nuclear weapon. For dynamic problems, the phenomena of interest can require extremely good temporal resolutions. A shock wave traveling at 1000 m/s (or 1 mm/μs) passes through a grain with a diameter of 1 micron in a nanosecond (10-9 sec). Thus, to observe the mesoscale phenomena—such as dislocations or phase transformations—as the shock passes, temporal resolution better than picoseconds (10-12 sec) may be needed. As we anticipate the science challenges over the next decade, experimental insights on material performance at the micron spatial scale with picosecond temporal resolution—at the mesoscale— are a clear challenge. This is a challenge fit for Los Alamos in partnership with our sister labs and academia. Mesoscale Connections will draw attention to our progress as we tackle the mesoscale challenge. We hope you like it and encourage suggestions of content you are interested in.

  4. Chemistry

    Ferris, L.M.

    1976-01-01

    Research progress is reported in programs on fuel-salt chemistry, properties of compounds in the Li--Te system, Te spectroscopy UF 4 --H equilibria, porous electrode studies of molten salts, fuel salt-coolant salt reactions, thermodynamic properties of transition-metal fluorides, and properties of sodium fluoroborate. Developmental work on analytical methods is summarized including in-line analysis of molten MSBR fuel, analysis of coolant-salts for tritium, analysis of molten LiF--BeF 2 --ThF 4 for Fe and analysis of LiF--BeF--ThF 4 for Te

  5. Mesoscale hybrid calibration artifact

    Tran, Hy D.; Claudet, Andre A.; Oliver, Andrew D.

    2010-09-07

    A mesoscale calibration artifact, also called a hybrid artifact, suitable for hybrid dimensional measurement and the method for make the artifact. The hybrid artifact has structural characteristics that make it suitable for dimensional measurement in both vision-based systems and touch-probe-based systems. The hybrid artifact employs the intersection of bulk-micromachined planes to fabricate edges that are sharp to the nanometer level and intersecting planes with crystal-lattice-defined angles.

  6. A study on atmospheric dispersion around Kalpakkam coastal site using a non-hydrostatic model and comparison with field data

    Jamima, P.; Lakshminarasimhan, J.; Venkatesan, R.

    2002-01-01

    Study of the sea breeze characteristics and Thermal Internal Boundary Layer (TIBL) is very important to understand the dispersion characteristics of air pollutants near coastal area. In the present paper, dispersion characteristics near Kalpakkam coastal area are studied and discussed by simulating sea breeze characteristics and TIBL using a non-hydrostatic mesoscale model in its two dimensional form. The model is run with surface physics, simplified radiation physics and turbulent kinetic energy (TKE) closure scheme for diffusion. A joint meteorological field experiment was carried out by IITM-Pune at Kalpakkam by deploying state of art sensors and tether balloon systems for observing the height profiles of meteorological parameters. The data taken from the field experiment is used here to compare the simulations. Results shows that the onset of sea breeze is one hour before as observed from the field experiment. Slight difference is also seen in wind speed and temperature. Spatial variation of the dispersion pattern could be understood from the simulated TKE profile. From the study, it is shown that the model gives only a over all picture of the real scenario and successful simulations require the inclusion of more atmospheric dynamics such as microphysics, cumulus parameterization and atmospheric radiation. (author)

  7. Evaluation of cloud prediction and determination of critical relative humidity for a mesoscale numerical weather prediction model

    Seaman, N.L.; Guo, Z.; Ackerman, T.P. [Pennsylvania State Univ., University Park, PA (United States)

    1996-04-01

    Predictions of cloud occurrence and vertical location from the Pennsylvannia State University/National Center for Atmospheric Research nonhydrostatic mesoscale model (MM5) were evaluated statistically using cloud observations obtained at Coffeyville, Kansas, as part of the Second International satellite Cloud Climatology Project Regional Experiment campaign. Seventeen cases were selected for simulation during a November-December 1991 field study. MM5 was used to produce two sets of 36-km simulations, one with and one without four-dimensional data assimilation (FDDA), and a set of 12-km simulations without FDDA, but nested within the 36-km FDDA runs.

  8. A hybrid hydrostatic and non-hydrostatic numerical model for shallow flow simulations

    Zhang, Jingxin; Liang, Dongfang; Liu, Hua

    2018-05-01

    Hydrodynamics of geophysical flows in oceanic shelves, estuaries, and rivers, are often studied by solving shallow water model equations. Although hydrostatic models are accurate and cost efficient for many natural flows, there are situations where the hydrostatic assumption is invalid, whereby a fully hydrodynamic model is necessary to increase simulation accuracy. There is a growing concern about the decrease of the computational cost of non-hydrostatic pressure models to improve the range of their applications in large-scale flows with complex geometries. This study describes a hybrid hydrostatic and non-hydrostatic model to increase the efficiency of simulating shallow water flows. The basic numerical model is a three-dimensional hydrostatic model solved by the finite volume method (FVM) applied to unstructured grids. Herein, a second-order total variation diminishing (TVD) scheme is adopted. Using a predictor-corrector method to calculate the non-hydrostatic pressure, we extended the hydrostatic model to a fully hydrodynamic model. By localising the computational domain in the corrector step for non-hydrostatic pressure calculations, a hybrid model was developed. There was no prior special treatment on mode switching, and the developed numerical codes were highly efficient and robust. The hybrid model is applicable to the simulation of shallow flows when non-hydrostatic pressure is predominant only in the local domain. Beyond the non-hydrostatic domain, the hydrostatic model is still accurate. The applicability of the hybrid method was validated using several study cases.

  9. Chemistry

    Ferris, L.M.

    1975-01-01

    Research and development activities dealing with the chemical problems related to design and ultimate operation of molten-salt reactor systems are described. An experimental test stand was constructed to expose metallurgical test specimens to Te 2 vapor at defined temperatures and deposition rates. To better define the chemistry of fluoroborate coolant, several aspects are being investigated. The behavior of hydroxy and oxy compounds in molten NaBF 4 is being investigated to define reactions and compounds that may be involved in corrosion and/or could be involved in methods for trapping tritium. Two corrosion products of Hastelloy N, Na 3 CrF 6 and Na 5 Cr 3 F 14 , were identified from fluoroborate systems. The evaluation of fluoroborate and alternate coolants continued. Research on the behavior of hydrogen and its isotopes is summarized. The solubilities of hydrogen, deuterium, and helium in Li 2 BeF 4 are very low. The sorption of tritium on graphite was found to be significant (a few milligrams of tritium per kilogram of graphite), possibly providing a means of sequestering a portion of the tritium produced. Development of analytical methods continued with emphasis on voltammetric and spectrophotometric techniques for the in-line analysis of corrosion products such as Fe 2+ and Cr 3+ and the determination of the U 3+ /U 4+ ratio in MSBR fuel salt. Similar studies were conducted with the NaBF 4 --NaF coolant salt. Information developed during the previous operation of the CSTF has been assessed and used to formulate plans for evaluation of in-line analytical methods in future CSTF operations. Electroanalytical and spectrophotometric research suggests that an electroactive protonic species is present in molten NaBF 4 --NaF, and that this species rapidly equilibrates with a volatile proton-containing species. Data obtained from the CSTF indicated that tritium was concentrated in the volatile species. (JGB)

  10. Non-hydrostatic semi-elastic hybrid-coordinate SISL extension of HIRLAM. Part II: numerical testing

    Rõõm, Rein; Männik, Aarne; Luhamaa, Andres; Zirk, Marko

    2007-01-01

    The semi-implicit semi-Lagrangian (SISL), two-time-level, non-hydrostatic numerical scheme, based on the non-hydrostatic, semi-elastic pressure-coordinate equations, is tested in model experiments with flow over given orography (elliptical hill, mountain ridge, system of successive ridges) in a rectangular domain with emphasis on the numerical accuracy and non-hydrostatic effect presentation capability. Comparison demonstrates good (in strong primary wave generation) to satisfactory (in weak ...

  11. Numerical simulation of alpha-quartz under non-hydrostatic compression. Memory glass and five-coordinated crystalline phases

    Badro, James; Barrat, Jean-Louis; Gillet, Philippe

    1996-01-01

    The behavior of $\\alpha$-quartz under hydrostatic and non-hydrostatic high-pressure conditions has been investigated in Molecular Dynamics simulations of silica in order to clarify the role of non-hydrostatic stresses in the amorphization process. It is shown that the amorphization threshold is not modified if the stress along the {\\bf c} direction is lowered, so that the mean amorphization pressure can effectively be lowered under non-hydrostatic conditions. On the other hand, the applicatio...

  12. MHD Kelvin-Helmholtz instability in non-hydrostatic equilibrium

    Laghouati, Y; Bouabdallah, A; Zizi, M; Alemany, A

    2007-01-01

    The present work deals with the linear stability of a magnetohydrodynamic shear flow so that a stratified inviscid fluid rotating about a vertical axis when a uniform magnetic field is applied in the direction of the streaming or zonal flow. In geophysical flow, the stability of the flow is determined by taking into account the nonhydrostatic condition depending on Richardson number R i and the deviation δ from hydrostatic equilibrium. According to Stone (Stone P H 1971 J. Fluid. Mech. 45 659), it is shown that such deviation δ decreases the growth rates of three kinds of instability which can appear as geostrophic (G), symmetric (S) and Kelvin-Helmholtz (K-H) instabilities. To be specific, the evolution of the flow is therefore considered in the light of the influence of magnetic field, particularly, on K-H instability. The results of this study are presented by the linear stability of a magnetohydrodynamic, with horizontal free-shear flow of stratified fluid, subject to rotation about the vertical axis and uniform magnetic field in the zonal direction. Results are discussed and compared to previous works as Chandrasekhar (Chandrasekhar S 1961 Hydrodynamic and hydromagnetic stability (Oxford: Clarendon Press) chapter 11 pp 481-513) and Stone

  13. Hamiltonian derivation of the nonhydrostatic pressure-coordinate model

    Salmon, Rick; Smith, Leslie M.

    1994-07-01

    In 1989, the Miller-Pearce (MP) model for nonhydrostatic fluid motion governed by equations written in pressure coordinates was extended by removing the prescribed reference temperature, T(sub s)(p), while retaining the conservation laws and other desirable properties. It was speculated that this extension of the MP model had a Hamiltonian structure and that a slick derivation of the Ertel property could be constructed if the relevant Hamiltonian were known. In this note, the extended equations are derived using Hamilton's principle. The potential vorticity law arises from the usual particle-relabeling symmetry of the Lagrangian, and even the absence of sound waves is anticipated from the fact that the pressure inside the free energy G(p, theta) in the derived equation is hydrostatic and thus G is insensitive to local pressure fluctuations. The model extension is analogous to the semigeostrophic equations for nearly geostrophic flow, which do not incorporate a prescribed reference state, while the earlier MP model is analogous to the quasigeostrophic equations, which become highly inaccurate when the flow wanders from a prescribed state with nearly flat isothermal surfaces.

  14. A free-surface hydrodynamic model for density-stratified flow in the weakly to strongly non-hydrostatic regime

    Shen, Colin Y.; Evans, Thomas E.

    2004-01-01

    A non-hydrostatic density-stratified hydrodynamic model with a free surface has been developed from the vorticity equations rather than the usual momentum equations. This approach has enabled the model to be obtained in two different forms, weakly non-hydrostatic and fully non-hydrostatic, with the computationally efficient weakly non-hydrostatic form applicable to motions having horizontal scales greater than the local water depth. The hydrodynamic model in both its weakly and fully non-hydrostatic forms is validated numerically using exact nonlinear non-hydrostatic solutions given by the Dubriel-Jacotin-Long equation for periodic internal gravity waves, internal solitary waves, and flow over a ridge. The numerical code is developed based on a semi-Lagrangian scheme and higher order finite-difference spatial differentiation and interpolation. To demonstrate the applicability of the model to coastal ocean situations, the problem of tidal generation of internal solitary waves at a shelf-break is considered. Simulations carried out with the model obtain the evolution of solitary wave generation and propagation consistent with past results. Moreover, the weakly non-hydrostatic simulation is shown to compare favorably with the fully non-hydrostatic simulation. The capability of the present model to simulate efficiently relatively large scale non-hydrostatic motions suggests that the weakly non-hydrostatic form of the model may be suitable for application in a large-area domain while the computationally intensive fully non-hydrostatic form of the model may be used in an embedded sub-domain where higher resolution is needed

  15. Acoustic Characterization of Mesoscale Objects

    Chinn, D; Huber, R; Chambers, D; Cole, G; Balogun, O; Spicer, J; Murray, T

    2007-03-13

    This report describes the science and engineering performed to provide state-of-the-art acoustic capabilities for nondestructively characterizing mesoscale (millimeter-sized) objects--allowing micrometer resolution over the objects entire volume. Materials and structures used in mesoscale objects necessitate the use of (1) GHz acoustic frequencies and (2) non-contacting laser generation and detection of acoustic waves. This effort demonstrated that acoustic methods at gigahertz frequencies have the necessary penetration depth and spatial resolution to effectively detect density discontinuities, gaps, and delaminations. A prototype laser-based ultrasonic system was designed and built. The system uses a micro-chip laser for excitation of broadband ultrasonic waves with frequency components reaching 1.0 GHz, and a path-stabilized Michelson interferometer for detection. The proof-of-concept for mesoscale characterization is demonstrated by imaging a micro-fabricated etched pattern in a 70 {micro}m thick silicon wafer.

  16. Simulation of non-hydrostatic gravity wave propagation in the upper atmosphere

    Y. Deng

    2014-04-01

    Full Text Available The high-frequency and small horizontal scale gravity waves may be reflected and ducted in non-hydrostatic simulations, but usually propagate vertically in hydrostatic models. To examine gravity wave propagation, a preliminary study has been conducted with a global ionosphere–thermosphere model (GITM, which is a non-hydrostatic general circulation model for the upper atmosphere. GITM has been run regionally with a horizontal resolution of 0.2° long × 0.2° lat to resolve the gravity wave with wavelength of 250 km. A cosine wave oscillation with amplitude of 30 m s−1 has been applied to the zonal wind at the low boundary, and both high-frequency and low-frequency waves have been tested. In the high-frequency case, the gravity wave stays below 200 km, which indicates that the wave is reflected or ducted in propagation. The results are consistent with the theoretical analysis from the dispersion relationship when the wavelength is larger than the cutoff wavelength for the non-hydrostatic situation. However, the low-frequency wave propagates to the high altitudes during the whole simulation period, and the amplitude increases with height. This study shows that the non-hydrostatic model successfully reproduces the high-frequency gravity wave dissipation.

  17. A Numerical Study of Non-hydrostatic Shallow Flows in Open Channels

    Zerihun, Yebegaeshet T.

    2017-06-01

    The flow field of many practical open channel flow problems, e.g. flow over natural bed forms or hydraulic structures, is characterised by curved streamlines that result in a non-hydrostatic pressure distribution. The essential vertical details of such a flow field need to be accounted for, so as to be able to treat the complex transition between hydrostatic and non-hydrostatic flow regimes. Apparently, the shallow-water equations, which assume a mild longitudinal slope and negligible vertical acceleration, are inappropriate to analyse these types of problems. Besides, most of the current Boussinesq-type models do not consider the effects of turbulence. A novel approach, stemming from the vertical integration of the Reynolds-averaged Navier-Stokes equations, is applied herein to develop a non-hydrostatic model which includes terms accounting for the effective stresses arising from the turbulent characteristics of the flow. The feasibility of the proposed model is examined by simulating flow situations that involve non-hydrostatic pressure and/or nonuniform velocity distributions. The computational results for free-surface and bed pressure profiles exhibit good correlations with experimental data, demonstrating that the present model is capable of simulating the salient features of free-surface flows over sharply-curved overflow structures and rigid-bed dunes.

  18. A mesoscale chemical transport model (MEDIUM) nested in a global chemical transport model (MEDIANTE)

    Claveau, J; Ramaroson, R [Office National d` Etudes et de Recherches Aerospatiales (ONERA), 92 - Chatillon (France)

    1998-12-31

    The lower stratosphere and upper troposphere (UT-LS) are frequently subject to mesoscale or local scale exchange of air masses occurring along discontinuities. This exchange (e.g. downward) can constitute one of the most important source of ozone from the stratosphere down to the middle troposphere where strong mixing dilutes the air mass and competing the non-linear chemistry. The distribution of the chemical species in the troposphere and the lower stratosphere depends upon various source emissions, e.g. from polluted boundary layer or from aircraft emissions. Global models, as well as chemical transport models describe the climatological state of the atmosphere and are not able to describe correctly the stratosphere and troposphere exchange. Mesoscale models go further in the description of smaller scales and can reasonably include a rather detailed chemistry. They can be used to assess the budget of NO{sub x} from aircraft emissions in a mesoscale domain. (author) 4 refs.

  19. A mesoscale chemical transport model (MEDIUM) nested in a global chemical transport model (MEDIANTE)

    Claveau, J.; Ramaroson, R. [Office National d`Etudes et de Recherches Aerospatiales (ONERA), 92 - Chatillon (France)

    1997-12-31

    The lower stratosphere and upper troposphere (UT-LS) are frequently subject to mesoscale or local scale exchange of air masses occurring along discontinuities. This exchange (e.g. downward) can constitute one of the most important source of ozone from the stratosphere down to the middle troposphere where strong mixing dilutes the air mass and competing the non-linear chemistry. The distribution of the chemical species in the troposphere and the lower stratosphere depends upon various source emissions, e.g. from polluted boundary layer or from aircraft emissions. Global models, as well as chemical transport models describe the climatological state of the atmosphere and are not able to describe correctly the stratosphere and troposphere exchange. Mesoscale models go further in the description of smaller scales and can reasonably include a rather detailed chemistry. They can be used to assess the budget of NO{sub x} from aircraft emissions in a mesoscale domain. (author) 4 refs.

  20. Diamond to β-Sn phase transition of silicon under hydrostatic and nonhydrostatic compressions

    Durandurdu, Murat

    2008-01-01

    We have carried out constant pressure ab initio simulations to study the pressure-induced phase transition of silicon. The diamond to β-Sn phase change under hydrostatic pressure is successfully observed in the simulation. The transformation is based on a fourfold coordinated tetragonal intermediate state having the space group I4 1 /amd. The energy barrier for the transformation is calculated to be about 0.35 eV/atom. Additionally, we investigate the influence of nonhydrostatic compressions on the phase transition of silicon and find that up to 20% stress deviations, silicon converts to a β-Sn structure with a reduced transition pressure. The triaxial compressions cause more reduction in the transition pressure than the uniaxial compressions. The transformation mechanism is practically identical under both hydrostatic and nonhydrostatic conditions

  1. Phase Behavior of Semiflexible-Flexible Diblock Copolymer Melt: Insight from Mesoscale Modeling.

    Beránek, P.; Posel, Zbyšek

    2016-01-01

    Roč. 16, č. 8 (2016), s. 7832-7835 ISSN 1533-4880 R&D Projects: GA MŠk(CZ) LH12020 Institutional support: RVO:67985858 Keywords : conformational asymmetry * dissipative particle dynamics * mesoscale modeling Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.483, year: 2016

  2. Lattice strains in gold and rhenium under nonhydrostatic compression to 37 GPa

    Duffy, Thomas S.; Shen, Guoyin; Heinz, Dion L.; Shu, Jinfu; Ma, Yanzhang; Mao, Ho-Kwang; Hemley, Russell J.; Singh, Anil K.

    1999-01-01

    Using energy-dispersive x-ray diffraction techniques together with the theory describing lattice strains under nonhydrostatic compression, the behavior of a layered sample of gold and rhenium has been studied at pressures of 14-37 GPa. For gold, the uniaxial stress component t is consistent with earlier studies and can be described by t=0.06+0.015P where P is the pressure in GPa. The estimated single-crystal elastic moduli are in reasonable agreement with trends based on extrapolated low-pressure data. The degree of elastic anisotropy increases as α, the parameter which characterizes stress-strain continuity across grain boundaries, is reduced from 1.0 to 0.5. For rhenium, the apparent equation of state has been shown to be strongly influenced by nonhydrostatic compression, as evidenced by its dependence on the angle ψ between the diffracting plane normal and the stress axis. The bulk modulus obtained by inversion of nonhydrostatic compression data can differ by nearly a factor of 2 at angles of 0 degree sign and 90 degree sign . On the other hand, by a proper choice of ψ, d spacings corresponding to quasihydrostatic compression can be obtained from data obtained under highly nonhydrostatic conditions. The uniaxial stress in rhenium over the pressure range from 14-37 GPa can be described by t=2.5+0.09P. The large discrepancy between x-ray elastic moduli and ultrasonic data and theoretical calculations indicates that additional factors such as texturing or orientation dependence of t need to be incorporated to more fully describe the strain distribution in hexagonal-close-packed metals. (c) 1999 The American Physical Society

  3. Depth-Averaged Non-Hydrostatic Hydrodynamic Model Using a New Multithreading Parallel Computing Method

    Ling Kang

    2017-03-01

    Full Text Available Compared to the hydrostatic hydrodynamic model, the non-hydrostatic hydrodynamic model can accurately simulate flows that feature vertical accelerations. The model’s low computational efficiency severely restricts its wider application. This paper proposes a non-hydrostatic hydrodynamic model based on a multithreading parallel computing method. The horizontal momentum equation is obtained by integrating the Navier–Stokes equations from the bottom to the free surface. The vertical momentum equation is approximated by the Keller-box scheme. A two-step method is used to solve the model equations. A parallel strategy based on block decomposition computation is utilized. The original computational domain is subdivided into two subdomains that are physically connected via a virtual boundary technique. Two sub-threads are created and tasked with the computation of the two subdomains. The producer–consumer model and the thread lock technique are used to achieve synchronous communication between sub-threads. The validity of the model was verified by solitary wave propagation experiments over a flat bottom and slope, followed by two sinusoidal wave propagation experiments over submerged breakwater. The parallel computing method proposed here was found to effectively enhance computational efficiency and save 20%–40% computation time compared to serial computing. The parallel acceleration rate and acceleration efficiency are approximately 1.45% and 72%, respectively. The parallel computing method makes a contribution to the popularization of non-hydrostatic models.

  4. Intercomparison of oceanic and atmospheric forced and coupled mesoscale simulations. Part I: Surface fluxes

    Josse, P.; Caniaux, G.; Giordani, H.; Planton, S.

    1999-04-01

    A mesoscale non-hydrostatic atmospheric model has been coupled with a mesoscale oceanic model. The case study is a four-day simulation of a strong storm event observed during the SEMAPHORE experiment over a 500 × 500 km2 domain. This domain encompasses a thermohaline front associated with the Azores current. In order to analyze the effect of mesoscale coupling, three simulations are compared: the first one with the atmospheric model forced by realistic sea surface temperature analyses; the second one with the ocean model forced by atmospheric fields, derived from weather forecast re-analyses; the third one with the models being coupled. For these three simulations the surface fluxes were computed with the same bulk parametrization. All three simulations succeed well in representing the main oceanic or atmospheric features observed during the storm. Comparison of surface fields with in situ observations reveals that the winds of the fine mesh atmospheric model are more realistic than those of the weather forecast re-analyses. The low-level winds simulated with the atmospheric model in the forced and coupled simulations are appreciably stronger than the re-analyzed winds. They also generate stronger fluxes. The coupled simulation has the strongest surface heat fluxes: the difference in the net heat budget with the oceanic forced simulation reaches on average 50 Wm-2 over the simulation period. Sea surface-temperature cooling is too weak in both simulations, but is improved in the coupled run and matches better the cooling observed with drifters. The spatial distributions of sea surface-temperature cooling and surface fluxes are strongly inhomogeneous over the simulation domain. The amplitude of the flux variation is maximum in the coupled run. Moreover the weak correlation between the cooling and heat flux patterns indicates that the surface fluxes are not responsible for the whole cooling and suggests that the response of the ocean mixed layer to the atmosphere is

  5. Mesoscale Modeling, Forecasting and Remote Sensing Research.

    remote sensing , cyclonic scale diagnostic studies and mesoscale numerical modeling and forecasting are summarized. Mechanisms involved in the release of potential instability are discussed and simulated quantitatively, giving particular attention to the convective formulation. The basic mesoscale model is documented including the equations, boundary condition, finite differences and initialization through an idealized frontal zone. Results of tests including a three dimensional test with real data, tests of convective/mesoscale interaction and tests with a detailed

  6. Validation of high-resolution aerosol optical thickness simulated by a global non-hydrostatic model against remote sensing measurements

    Goto, Daisuke; Sato, Yousuke; Yashiro, Hisashi; Suzuki, Kentaroh; Nakajima, Teruyuki

    2017-02-01

    A high-performance computing resource allows us to conduct numerical simulations with a horizontal grid spacing that is sufficiently high to resolve cloud systems. The cutting-edge computational capability, which was provided by the K computer at RIKEN in Japan, enabled the authors to perform long-term, global simulations of air pollutions and clouds with unprecedentedly high horizontal resolutions. In this study, a next generation model capable of simulating global air pollutions with O(10 km) grid spacing by coupling an atmospheric chemistry model to the Non-hydrostatic Icosahedral Atmospheric Model (NICAM) was performed. Using the newly developed model, month-long simulations for July were conducted with 14 km grid spacing on the K computer. Regarding the global distributions of aerosol optical thickness (AOT), it was found that the correlation coefficient (CC) between the simulation and AERONET measurements was approximately 0.7, and the normalized mean bias was -10%. The simulated AOT was also compared with satellite-retrieved values; the CC was approximately 0.6. The radiative effects due to each chemical species (dust, sea salt, organics, and sulfate) were also calculated and compared with multiple measurements. As a result, the simulated fluxes of upward shortwave radiation at the top of atmosphere and the surface compared well with the observed values, whereas those of downward shortwave radiation at the surface were underestimated, even if all aerosol components were considered. However, the aerosol radiative effects on the downward shortwave flux at the surface were found to be as high as 10 W/m2 in a global scale; thus, simulated aerosol distributions can strongly affect the simulated air temperature and dynamic circulation.

  7. Mesoscale Climate Evaluation Using Grid Computing

    Campos Velho, H. F.; Freitas, S. R.; Souto, R. P.; Charao, A. S.; Ferraz, S.; Roberti, D. R.; Streck, N.; Navaux, P. O.; Maillard, N.; Collischonn, W.; Diniz, G.; Radin, B.

    2012-04-01

    The CLIMARS project is focused to establish an operational environment for seasonal climate prediction for the Rio Grande do Sul state, Brazil. The dynamical downscaling will be performed with the use of several software platforms and hardware infrastructure to carry out the investigation on mesoscale of the global change impact. The grid computing takes advantage of geographically spread out computer systems, connected by the internet, for enhancing the power of computation. The ensemble climate prediction is an appropriated application for processing on grid computing, because the integration of each ensemble member does not have a dependency on information from another ensemble members. The grid processing is employed to compute the 20-year climatology and the long range simulations under ensemble methodology. BRAMS (Brazilian Regional Atmospheric Model) is a mesoscale model developed from a version of the RAMS (from the Colorado State University - CSU, USA). BRAMS model is the tool for carrying out the dynamical downscaling from the IPCC scenarios. Long range BRAMS simulations will provide data for some climate (data) analysis, and supply data for numerical integration of different models: (a) Regime of the extreme events for temperature and precipitation fields: statistical analysis will be applied on the BRAMS data, (b) CCATT-BRAMS (Coupled Chemistry Aerosol Tracer Transport - BRAMS) is an environmental prediction system that will be used to evaluate if the new standards of temperature, rain regime, and wind field have a significant impact on the pollutant dispersion in the analyzed regions, (c) MGB-IPH (Portuguese acronym for the Large Basin Model (MGB), developed by the Hydraulic Research Institute, (IPH) from the Federal University of Rio Grande do Sul (UFRGS), Brazil) will be employed to simulate the alteration of the river flux under new climate patterns. Important meteorological input variables for the MGB-IPH are the precipitation (most relevant

  8. Wake modelling combining mesoscale and microscale models

    Badger, Jake; Volker, Patrick; Prospathospoulos, J.

    2013-01-01

    In this paper the basis for introducing thrust information from microscale wake models into mesocale model wake parameterizations will be described. A classification system for the different types of mesoscale wake parameterizations is suggested and outlined. Four different mesoscale wake paramet...

  9. Mesoscale simulations of shockwave energy dissipation via chemical reactions.

    Antillon, Edwin; Strachan, Alejandro

    2015-02-28

    We use a particle-based mesoscale model that incorporates chemical reactions at a coarse-grained level to study the response of materials that undergo volume-reducing chemical reactions under shockwave-loading conditions. We find that such chemical reactions can attenuate the shockwave and characterize how the parameters of the chemical model affect this behavior. The simulations show that the magnitude of the volume collapse and velocity at which the chemistry propagates are critical to weaken the shock, whereas the energetics in the reactions play only a minor role. Shock loading results in transient states where the material is away from local equilibrium and, interestingly, chemical reactions can nucleate under such non-equilibrium states. Thus, the timescales for equilibration between the various degrees of freedom in the material affect the shock-induced chemistry and its ability to attenuate the propagating shock.

  10. A variable resolution nonhydrostatic global atmospheric semi-implicit semi-Lagrangian model

    Pouliot, George Antoine

    2000-10-01

    The objective of this project is to develop a variable-resolution finite difference adiabatic global nonhydrostatic semi-implicit semi-Lagrangian (SISL) model based on the fully compressible nonhydrostatic atmospheric equations. To achieve this goal, a three-dimensional variable resolution dynamical core was developed and tested. The main characteristics of the dynamical core can be summarized as follows: Spherical coordinates were used in a global domain. A hydrostatic/nonhydrostatic switch was incorporated into the dynamical equations to use the fully compressible atmospheric equations. A generalized horizontal variable resolution grid was developed and incorporated into the model. For a variable resolution grid, in contrast to a uniform resolution grid, the order of accuracy of finite difference approximations is formally lost but remains close to the order of accuracy associated with the uniform resolution grid provided the grid stretching is not too significant. The SISL numerical scheme was implemented for the fully compressible set of equations. In addition, the generalized minimum residual (GMRES) method with restart and preconditioner was used to solve the three-dimensional elliptic equation derived from the discretized system of equations. The three-dimensional momentum equation was integrated in vector-form to incorporate the metric terms in the calculations of the trajectories. Using global re-analysis data for a specific test case, the model was compared to similar SISL models previously developed. Reasonable agreement between the model and the other independently developed models was obtained. The Held-Suarez test for dynamical cores was used for a long integration and the model was successfully integrated for up to 1200 days. Idealized topography was used to test the variable resolution component of the model. Nonhydrostatic effects were simulated at grid spacings of 400 meters with idealized topography and uniform flow. Using a high

  11. NHM-SMAP: spatially and temporally high-resolution nonhydrostatic atmospheric model coupled with detailed snow process model for Greenland Ice Sheet

    Niwano, Masashi; Aoki, Teruo; Hashimoto, Akihiro; Matoba, Sumito; Yamaguchi, Satoru; Tanikawa, Tomonori; Fujita, Koji; Tsushima, Akane; Iizuka, Yoshinori; Shimada, Rigen; Hori, Masahiro

    2018-02-01

    To improve surface mass balance (SMB) estimates for the Greenland Ice Sheet (GrIS), we developed a 5 km resolution regional climate model combining the Japan Meteorological Agency Non-Hydrostatic atmospheric Model and the Snow Metamorphism and Albedo Process model (NHM-SMAP) with an output interval of 1 h, forced by the Japanese 55-year reanalysis (JRA-55). We used in situ data to evaluate NHM-SMAP in the GrIS during the 2011-2014 mass balance years. We investigated two options for the lower boundary conditions of the atmosphere: an offline configuration using snow, firn, and ice albedo, surface temperature data from JRA-55, and an online configuration using values from SMAP. The online configuration improved model performance in simulating 2 m air temperature, suggesting that the surface analysis provided by JRA-55 is inadequate for the GrIS and that SMAP results can better simulate physical conditions of snow/firn/ice. It also reproduced the measured features of the GrIS climate, diurnal variations, and even a strong mesoscale wind event. In particular, it successfully reproduced the temporal evolution of the GrIS surface melt area extent as well as the record melt event around 12 July 2012, at which time the simulated melt area extent reached 92.4 %. Sensitivity tests showed that the choice of calculation schemes for vertical water movement in snow and firn has an effect as great as 200 Gt year-1 in the GrIS-wide accumulated SMB estimates; a scheme based on the Richards equation provided the best performance.

  12. Phase stability limit of c-BN under hydrostatic and non-hydrostatic pressure conditions

    Xiao, Jianwei; Du, Jinglian; Wen, Bin; Zhang, Xiangyi; Melnik, Roderick; Kawazoe, Yoshiyuki

    2014-01-01

    Phase stability limit of cubic boron nitride (c-BN) has been investigated by the crystal structure search technique. It indicated that this limit is ∼1000 GPa at hydrostatic pressure condition. Above this pressure, c-BN turns into a metastable phase with respect to rocksalt type boron nitride (rs-BN). However, rs-BN cannot be retained at 0 GPa owing to its instability at pressure below 250 GPa. For non-hydrostatic pressure conditions, the phase stability limit of c-BN is substantially lower than that under hydrostatic pressure conditions and it is also dramatically different for other pressure mode

  13. Intercomparison of oceanic and atmospheric forced and coupled mesoscale simulations Part I: Surface fluxes

    P. Josse

    1999-04-01

    Full Text Available A mesoscale non-hydrostatic atmospheric model has been coupled with a mesoscale oceanic model. The case study is a four-day simulation of a strong storm event observed during the SEMAPHORE experiment over a 500 × 500 km2 domain. This domain encompasses a thermohaline front associated with the Azores current. In order to analyze the effect of mesoscale coupling, three simulations are compared: the first one with the atmospheric model forced by realistic sea surface temperature analyses; the second one with the ocean model forced by atmospheric fields, derived from weather forecast re-analyses; the third one with the models being coupled. For these three simulations the surface fluxes were computed with the same bulk parametrization. All three simulations succeed well in representing the main oceanic or atmospheric features observed during the storm. Comparison of surface fields with in situ observations reveals that the winds of the fine mesh atmospheric model are more realistic than those of the weather forecast re-analyses. The low-level winds simulated with the atmospheric model in the forced and coupled simulations are appreciably stronger than the re-analyzed winds. They also generate stronger fluxes. The coupled simulation has the strongest surface heat fluxes: the difference in the net heat budget with the oceanic forced simulation reaches on average 50 Wm-2 over the simulation period. Sea surface-temperature cooling is too weak in both simulations, but is improved in the coupled run and matches better the cooling observed with drifters. The spatial distributions of sea surface-temperature cooling and surface fluxes are strongly inhomogeneous over the simulation domain. The amplitude of the flux variation is maximum in the coupled run. Moreover the weak correlation between the cooling and heat flux patterns indicates that the surface fluxes are not responsible for the whole cooling and suggests that the response of the ocean mixed layer

  14. Intercomparison of oceanic and atmospheric forced and coupled mesoscale simulations Part I: Surface fluxes

    H. Giordani

    Full Text Available A mesoscale non-hydrostatic atmospheric model has been coupled with a mesoscale oceanic model. The case study is a four-day simulation of a strong storm event observed during the SEMAPHORE experiment over a 500 × 500 km2 domain. This domain encompasses a thermohaline front associated with the Azores current. In order to analyze the effect of mesoscale coupling, three simulations are compared: the first one with the atmospheric model forced by realistic sea surface temperature analyses; the second one with the ocean model forced by atmospheric fields, derived from weather forecast re-analyses; the third one with the models being coupled. For these three simulations the surface fluxes were computed with the same bulk parametrization. All three simulations succeed well in representing the main oceanic or atmospheric features observed during the storm. Comparison of surface fields with in situ observations reveals that the winds of the fine mesh atmospheric model are more realistic than those of the weather forecast re-analyses. The low-level winds simulated with the atmospheric model in the forced and coupled simulations are appreciably stronger than the re-analyzed winds. They also generate stronger fluxes. The coupled simulation has the strongest surface heat fluxes: the difference in the net heat budget with the oceanic forced simulation reaches on average 50 Wm-2 over the simulation period. Sea surface-temperature cooling is too weak in both simulations, but is improved in the coupled run and matches better the cooling observed with drifters. The spatial distributions of sea surface-temperature cooling and surface fluxes are strongly inhomogeneous over the simulation domain. The amplitude of the flux variation is maximum in the coupled run. Moreover the weak correlation between the cooling and heat flux patterns indicates that the surface fluxes are not responsible for the whole cooling and suggests that the response of the ocean mixed layer

  15. Implicit-explicit (IMEX) Runge-Kutta methods for non-hydrostatic atmospheric models

    Gardner, David J.; Guerra, Jorge E.; Hamon, François P.; Reynolds, Daniel R.; Ullrich, Paul A.; Woodward, Carol S.

    2018-04-01

    The efficient simulation of non-hydrostatic atmospheric dynamics requires time integration methods capable of overcoming the explicit stability constraints on time step size arising from acoustic waves. In this work, we investigate various implicit-explicit (IMEX) additive Runge-Kutta (ARK) methods for evolving acoustic waves implicitly to enable larger time step sizes in a global non-hydrostatic atmospheric model. The IMEX formulations considered include horizontally explicit - vertically implicit (HEVI) approaches as well as splittings that treat some horizontal dynamics implicitly. In each case, the impact of solving nonlinear systems in each implicit ARK stage in a linearly implicit fashion is also explored. The accuracy and efficiency of the IMEX splittings, ARK methods, and solver options are evaluated on a gravity wave and baroclinic wave test case. HEVI splittings that treat some vertical dynamics explicitly do not show a benefit in solution quality or run time over the most implicit HEVI formulation. While splittings that implicitly evolve some horizontal dynamics increase the maximum stable step size of a method, the gains are insufficient to overcome the additional cost of solving a globally coupled system. Solving implicit stage systems in a linearly implicit manner limits the solver cost but this is offset by a reduction in step size to achieve the desired accuracy for some methods. Overall, the third-order ARS343 and ARK324 methods performed the best, followed by the second-order ARS232 and ARK232 methods.

  16. Implicit–explicit (IMEX Runge–Kutta methods for non-hydrostatic atmospheric models

    D. J. Gardner

    2018-04-01

    Full Text Available The efficient simulation of non-hydrostatic atmospheric dynamics requires time integration methods capable of overcoming the explicit stability constraints on time step size arising from acoustic waves. In this work, we investigate various implicit–explicit (IMEX additive Runge–Kutta (ARK methods for evolving acoustic waves implicitly to enable larger time step sizes in a global non-hydrostatic atmospheric model. The IMEX formulations considered include horizontally explicit – vertically implicit (HEVI approaches as well as splittings that treat some horizontal dynamics implicitly. In each case, the impact of solving nonlinear systems in each implicit ARK stage in a linearly implicit fashion is also explored.The accuracy and efficiency of the IMEX splittings, ARK methods, and solver options are evaluated on a gravity wave and baroclinic wave test case. HEVI splittings that treat some vertical dynamics explicitly do not show a benefit in solution quality or run time over the most implicit HEVI formulation. While splittings that implicitly evolve some horizontal dynamics increase the maximum stable step size of a method, the gains are insufficient to overcome the additional cost of solving a globally coupled system. Solving implicit stage systems in a linearly implicit manner limits the solver cost but this is offset by a reduction in step size to achieve the desired accuracy for some methods. Overall, the third-order ARS343 and ARK324 methods performed the best, followed by the second-order ARS232 and ARK232 methods.

  17. A modified atmospheric non-hydrostatic model on low aspect ratio grids

    Wen-Yih Sun

    2012-04-01

    Full Text Available It is popular to use a horizontal explicit and a vertical implicit (HE-VI scheme in the compressible non-hydrostatic (NH model. However, when the aspect ratio becomes small, a small time-interval is required in HE-VI, because the Courant-Fredrich-Lewy (CFL criterion is determined by the horizontal grid spacing. Furthermore, simulations from HE-VI can depart from the forward–backward (FB scheme in NH even when the time interval is less than the CFL criterion allowed. Hence, a modified non-hydrostatic (MNH model is proposed, in which the left-hand side of the continuity equation is multiplied by a parameter δ (4≤δ≤16, in this study. When the linearized MNH is solved by FB (can be other schemes, the eigenvalue shows that MNH can suppress the frequency of acoustic waves very effectively but does not have a significant impact on the gravity waves. Hence, MNH enables to use a longer time step than that allowed in the original NH. When the aspect ratio is small, MNH solved by FB can be more accurate and efficient than the NH solved by HE-VI. Therefore, MNH can be very useful to study cloud, Large Eddy Simulation (LES, turbulence, flow over complex terrains, etc., which require fine resolution in both horizontal and vertical directions.

  18. A modified atmospheric non-hydrostatic model on low aspect ratio grids: part II

    Wen-Yih Sun

    2013-06-01

    Full Text Available Sun et al. (2012 proposed a modified non-hydrostatic model (MNH, in which the left-hand side of the continuity equation is multiplied by a parameter δ (4≤δ≤16 in the article to suppress high-frequency acoustic waves. They showed that the MNH allows a longer time step than the original non-hydrostatic model (NH. The MNH is also more accurate and efficient than the horizontal explicit and vertical implicit scheme (HE–VI when the aspect ratio (Δx/Δz is small. In addition to multiplying a parameter δ, here we propose to add a smoothing on the right-hand side of the continuity equation in the MNH to damp shortest sound waves. Linear stability analysis and non-linear model simulations show that the MNH with smoothing (henceforth abbreviated as MNHS can use twice the time interval of the MNH while maintaining the same accuracy. The MNHS is also more accurate and efficient than HE–VI when the aspect ratio is small.

  19. Meso-scale wind variability. Final report

    Larsen, S.; Larsen, X.; Vincent, C.; Soerensen, P.; Pinson, P.; Trombe, P.-J.; Madsen, H.; Cutululis, N.

    2011-11-15

    The project has aimed to characterize mesoscale meteorological phenomenon for the North Sea and the Inner Danish waters, and additionally aimed on improving the predictability and quality of the power production from offshore windfarms. The meso-scale meteorology has been characterized with respect to the physical processes, climatology, spectral characteristics and correlation properties based on measurements from wind farms, satellite data (SAR) and mesoscale numerical modeling (WRF). The abilities of the WRF model to characterize and predict relevant mesoscale phenomenon has been proven. Additionally application of statistical forecasting, using a Markov switching approach that can be related to the meteorological conditions, to analyze and short term predict the power production from an offshore wind farms have been documented. Two PhD studies have been conducted in connection with the project. The project has been a cooperative project between Risoe DTU, IMM DTU, DONG Energy, Vattenfall and VESTAS. It is registered as Energinet.dk, project no. 2007-1-7141. (Author)

  20. Error Covariance Estimation of Mesoscale Data Assimilation

    Xu, Qin

    2005-01-01

    The goal of this project is to explore and develop new methods of error covariance estimation that will provide necessary statistical descriptions of prediction and observation errors for mesoscale data assimilation...

  1. Laser guidance of mesoscale particles

    Underdown, Frank Hartman, Jr.

    Mesoscale particles are guided and trapped in hollow optical fibers using radiation pressure forces. Laser light from a 0.4W, 780nm diode laser is guided in a low- loss fiber mode and used to generate the guidance forces. Laser scattering and absorption forces propels particles along the fiber and polarization gradient forces attract them to the fiber's axial center. Using two counter propagating laser beams, inside the fiber, particles can be trapped in three dimensions. Measuring the spring constant of the trap gives the gradient force. This dissertation describes Rayleigh and Mie scattering models for calculating guidance forces. Calculated forces as a function of particle size and composition (i.e. dielectric, semiconductor, and metals) will be presented. For example, under typical experimental conditions 100nm Au particles are guided by a 2 × 10-14 N propulsive force in a water filled fiber. In comparison, the measured force, obtained from the particle's velocity and Stokes' law, is 7.98 × 10-14 N.

  2. DCMIP2016: a review of non-hydrostatic dynamical core design and intercomparison of participating models

    Ullrich, Paul A.; Jablonowski, Christiane; Kent, James; Lauritzen, Peter H.; Nair, Ramachandran; Reed, Kevin A.; Zarzycki, Colin M.; Hall, David M.; Dazlich, Don; Heikes, Ross; Konor, Celal; Randall, David; Dubos, Thomas; Meurdesoif, Yann; Chen, Xi; Harris, Lucas; Kühnlein, Christian; Lee, Vivian; Qaddouri, Abdessamad; Girard, Claude; Giorgetta, Marco; Reinert, Daniel; Klemp, Joseph; Park, Sang-Hun; Skamarock, William; Miura, Hiroaki; Ohno, Tomoki; Yoshida, Ryuji; Walko, Robert; Reinecke, Alex; Viner, Kevin

    2017-12-01

    Atmospheric dynamical cores are a fundamental component of global atmospheric modeling systems and are responsible for capturing the dynamical behavior of the Earth's atmosphere via numerical integration of the Navier-Stokes equations. These systems have existed in one form or another for over half of a century, with the earliest discretizations having now evolved into a complex ecosystem of algorithms and computational strategies. In essence, no two dynamical cores are alike, and their individual successes suggest that no perfect model exists. To better understand modern dynamical cores, this paper aims to provide a comprehensive review of 11 non-hydrostatic dynamical cores, drawn from modeling centers and groups that participated in the 2016 Dynamical Core Model Intercomparison Project (DCMIP) workshop and summer school. This review includes a choice of model grid, variable placement, vertical coordinate, prognostic equations, temporal discretization, and the diffusion, stabilization, filters, and fixers employed by each system.

  3. DCMIP2016: a review of non-hydrostatic dynamical core design and intercomparison of participating models

    P. A. Ullrich

    2017-12-01

    Full Text Available Atmospheric dynamical cores are a fundamental component of global atmospheric modeling systems and are responsible for capturing the dynamical behavior of the Earth's atmosphere via numerical integration of the Navier–Stokes equations. These systems have existed in one form or another for over half of a century, with the earliest discretizations having now evolved into a complex ecosystem of algorithms and computational strategies. In essence, no two dynamical cores are alike, and their individual successes suggest that no perfect model exists. To better understand modern dynamical cores, this paper aims to provide a comprehensive review of 11 non-hydrostatic dynamical cores, drawn from modeling centers and groups that participated in the 2016 Dynamical Core Model Intercomparison Project (DCMIP workshop and summer school. This review includes a choice of model grid, variable placement, vertical coordinate, prognostic equations, temporal discretization, and the diffusion, stabilization, filters, and fixers employed by each system.

  4. Generation of weakly nonlinear nonhydrostatic internal tides over large topography: a multi-modal approach

    R. Maugé

    2008-03-01

    Full Text Available A set of evolution equations is derived for the modal coefficients in a weakly nonlinear nonhydrostatic internal-tide generation problem. The equations allow for the presence of large-amplitude topography, e.g. a continental slope, which is formally assumed to have a length scale much larger than that of the internal tide. However, comparison with results from more sophisticated numerical models show that this restriction can in practice be relaxed. It is shown that a topographically induced coupling between modes occurs that is distinct from nonlinear coupling. Nonlinear effects include the generation of higher harmonics by reflection from boundaries, i.e. steeper tidal beams at frequencies that are multiples of the basic tidal frequency. With a seasonal thermocline included, the model is capable of reproducing the phenomenon of local generation of internal solitary waves by a tidal beam impinging on the seasonal thermocline.

  5. Exact Solutions of Atmospheric (2+1)-Dimensional Nonlinear Incompressible Non-hydrostatic Boussinesq Equations

    Liu, Ping; Wang, Ya-Xiong; Ren, Bo; Li, Jin-Hua

    2016-12-01

    Exact solutions of the atmospheric (2+1)-dimensional nonlinear incompressible non-hydrostatic Boussinesq (INHB) equations are researched by Combining function expansion and symmetry method. By function expansion, several expansion coefficient equations are derived. Symmetries and similarity solutions are researched in order to obtain exact solutions of the INHB equations. Three types of symmetry reduction equations and similarity solutions for the expansion coefficient equations are proposed. Non-traveling wave solutions for the INHB equations are obtained by symmetries of the expansion coefficient equations. Making traveling wave transformations on expansion coefficient equations, we demonstrate some traveling wave solutions of the INHB equations. The evolutions on the wind velocities, temperature perturbation and pressure perturbation are demonstrated by figures, which demonstrate the periodic evolutions with time and space. Supported by the National Natural Science Foundation of China under Grant Nos. 11305031 and 11305106, and Training Programme Foundation for Outstanding Young Teachers in Higher Education Institutions of Guangdong Province under Grant No. Yq2013205

  6. Dynamics of premixed hydrogen/air flames in mesoscale channels

    Pizza, Gianmarco [Paul Scherrer Institute, Combustion Research, CH-5232, Villigen PSI (Switzerland); Aerothermochemistry and Combustion Systems Laboratory, Swiss Federal Institute of Technology, CH-8092, Zurich (Switzerland); Frouzakis, Christos E.; Boulouchos, Konstantinos [Aerothermochemistry and Combustion Systems Laboratory, Swiss Federal Institute of Technology, CH-8092, Zurich (Switzerland); Mantzaras, John [Paul Scherrer Institute, Combustion Research, CH-5232, Villigen PSI (Switzerland); Tomboulides, Ananias G. [Department of Engineering and Management of Energy Resources, University of Western Macedonia, 50100 Kozani (Greece)

    2008-10-15

    Direct numerical simulation with detailed chemistry and transport is used to study the stabilization and dynamics of lean ({phi}=0.5) premixed hydrogen/air atmospheric pressure flames in mesoscale planar channels. Channel heights of h=2, 4, and 7 mm, and inflow velocities in the range 0.3{<=}U{sub IN}{<=}1100cm/ s are investigated. Six different burning modes are identified: mild combustion, ignition/extinction, closed steady symmetric flames, open steady symmetric flames, oscillating and, finally, asymmetric flames. Chaotic behavior of cellular flame structures is observed for certain values of U{sub IN}. Stability maps delineating the regions of the different flame types are finally constructed. (author)

  7. Process analysis of the modelled 3-D mesoscale impact of aircraft emissions on the atmosphere

    Hendricks, J; Ebel, A; Lippert, E; Petry, H [Koeln Univ. (Germany). Inst. fuer Geophysik und Meterorologie

    1998-12-31

    A mesoscale chemistry transport model is applied to study the impact of aircraft emissions on the atmospheric trace gas composition. A special analysis of the simulations is conducted to separate the effects of chemistry, transport, diffusion and cloud processes on the transformation of the exhausts of a subsonic fleet cruising over the North Atlantic. The aircraft induced ozone production strongly depends on the tropopause height and the cruise altitude. Aircraft emissions may undergo an effective downward transport under the influence of stratosphere-troposphere exchange activity. (author) 12 refs.

  8. Process analysis of the modelled 3-D mesoscale impact of aircraft emissions on the atmosphere

    Hendricks, J.; Ebel, A.; Lippert, E.; Petry, H. [Koeln Univ. (Germany). Inst. fuer Geophysik und Meterorologie

    1997-12-31

    A mesoscale chemistry transport model is applied to study the impact of aircraft emissions on the atmospheric trace gas composition. A special analysis of the simulations is conducted to separate the effects of chemistry, transport, diffusion and cloud processes on the transformation of the exhausts of a subsonic fleet cruising over the North Atlantic. The aircraft induced ozone production strongly depends on the tropopause height and the cruise altitude. Aircraft emissions may undergo an effective downward transport under the influence of stratosphere-troposphere exchange activity. (author) 12 refs.

  9. Alteration of the superconducting properties of A15 compounds and elementary composite superconductors by non-hydrostatic elastic strain

    Welch, D.O.

    1979-01-01

    Elastic strains alter (usually, but not always, adversely) the critical temperatures, magnetic fields, and current densities of superconducting A15 compounds; non-hydrostatic strain states are particularly effective in this regard. This paper is a review of the experimental evidence, obtained by a variety of techniques, concerning the strain dependence of the critical properties of a number of A15 compounds and a discussion of theoretical models for describing such effects

  10. Non-hydrostatic semi-elastic hybrid-coordinate SISL extension of HIRLAM. Part I: numerical scheme

    Rõõm, Rein; Männik, Aarne; Luhamaa, Andres

    2007-01-01

    Two-time-level, semi-implicit, semi-Lagrangian (SISL) scheme is applied to the non-hydrostatic pressure coordinate equations, constituting a modified Miller–Pearce–White model, in hybrid-coordinate framework. Neutral background is subtracted in the initial continuous dynamics, yielding modified equations for geopotential, temperature and logarithmic surface pressure fluctuation. Implicit Lagrangian marching formulae for single time-step are derived. A disclosure scheme is presented, which res...

  11. Non-hydrostatic semi-elastic hybrid-coordinate SISL extension of HIRLAM. Part II: numerical testing

    Rõõm, Rein; Männik, Aarne; Luhamaa, Andres; Zirk, Marko

    2007-10-01

    The semi-implicit semi-Lagrangian (SISL), two-time-level, non-hydrostatic numerical scheme, based on the non-hydrostatic, semi-elastic pressure-coordinate equations, is tested in model experiments with flow over given orography (elliptical hill, mountain ridge, system of successive ridges) in a rectangular domain with emphasis on the numerical accuracy and non-hydrostatic effect presentation capability. Comparison demonstrates good (in strong primary wave generation) to satisfactory (in weak secondary wave reproduction in some cases) consistency of the numerical modelling results with known stationary linear test solutions. Numerical stability of the developed model is investigated with respect to the reference state choice, modelling dynamics of a stationary front. The horizontally area-mean reference temperature proves to be the optimal stability warrant. The numerical scheme with explicit residual in the vertical forcing term becomes unstable for cross-frontal temperature differences exceeding 30 K. Stability is restored, if the vertical forcing is treated implicitly, which enables to use time steps, comparable with the hydrostatic SISL.

  12. A hybrid finite-volume and finite difference scheme for depth-integrated non-hydrostatic model

    Yin, Jing; Sun, Jia-wen; Wang, Xing-gang; Yu, Yong-hai; Sun, Zhao-chen

    2017-06-01

    A depth-integrated, non-hydrostatic model with hybrid finite difference and finite volume numerical algorithm is proposed in this paper. By utilizing a fraction step method, the governing equations are decomposed into hydrostatic and non-hydrostatic parts. The first part is solved by using the finite volume conservative discretization method, whilst the latter is considered by solving discretized Poisson-type equations with the finite difference method. The second-order accuracy, both in time and space, of the finite volume scheme is achieved by using an explicit predictor-correction step and linear construction of variable state in cells. The fluxes across the cell faces are computed in a Godunov-based manner by using MUSTA scheme. Slope and flux limiting technique is used to equip the algorithm with total variation dimensioning property for shock capturing purpose. Wave breaking is treated as a shock by switching off the non-hydrostatic pressure in the steep wave front locally. The model deals with moving wet/dry front in a simple way. Numerical experiments are conducted to verify the proposed model.

  13. An efficient semi-implicit method for three-dimensional non-hydrostatic flows in compliant arterial vessels.

    Fambri, Francesco; Dumbser, Michael; Casulli, Vincenzo

    2014-11-01

    Blood flow in arterial systems can be described by the three-dimensional Navier-Stokes equations within a time-dependent spatial domain that accounts for the elasticity of the arterial walls. In this article, blood is treated as an incompressible Newtonian fluid that flows through compliant vessels of general cross section. A three-dimensional semi-implicit finite difference and finite volume model is derived so that numerical stability is obtained at a low computational cost on a staggered grid. The key idea of the method consists in a splitting of the pressure into a hydrostatic and a non-hydrostatic part, where first a small quasi-one-dimensional nonlinear system is solved for the hydrostatic pressure and only in a second step the fully three-dimensional non-hydrostatic pressure is computed from a three-dimensional nonlinear system as a correction to the hydrostatic one. The resulting algorithm is robust, efficient, locally and globally mass conservative, and applies to hydrostatic and non-hydrostatic flows in one, two and three space dimensions. These features are illustrated on nontrivial test cases for flows in tubes with circular or elliptical cross section where the exact analytical solution is known. Test cases of steady and pulsatile flows in uniformly curved rigid and elastic tubes are presented. Wherever possible, axial velocity development and secondary flows are shown and compared with previously published results. Copyright © 2014 John Wiley & Sons, Ltd.

  14. Wind-Farm Parametrisations in Mesoscale Models

    Volker, Patrick; Badger, Jake; Hahmann, Andrea N.

    2013-01-01

    In this paper we compare three wind-farm parametrisations for mesoscale models against measurement data from the Horns Rev I offshore wind-farm. The parametrisations vary from a simple rotor drag method, to more sophisticated models. Additional to (4) we investigated the horizontal resolution dep...

  15. Delayed shear enhancement in mesoscale atmospheric dispersion

    Moran, M.D. [Atmospheric Environment Service, Ontario (Canada); Pielke, R.A. [Colorado State Univ., Fort Collins, CO (United States)

    1994-12-31

    Mesoscale atmospheric dispersion (MAD) is more complicated than smaller-scale dispersion because the mean wind field can no longer be considered steady or horizontally homogeneous over mesoscale time and space scales. Wind shear also plays a much more important role on the mesoscale: horizontal dispersion can be enhanced and often dominated by vertical wind shear on these scales through the interaction of horizontal differential advection and vertical mixing. Just over 30 years ago, Pasquill suggested that this interaction need not be simultaneous and that the combination of differential horizontal advection with delayed or subsequent vertical mixing could maintain effective horizontal diffusion in spite of temporal or spatial reductions in boundary-layer turbulence intensity. This two-step mechanism has not received much attention since then, but a recent analysis of observations from and numerical simulations of two mesoscale tracer experiments suggests that delayed shear enhancement can play an important role in MAD. This paper presents an overview of this analysis, with particular emphasis on the influence of resolvable vertical shear on MAD in these two case studies and the contributions made by delayed shear enhancement.

  16. An axisymmetric non-hydrostatic model for double-diffusive water systems

    Hilgersom, Koen; Zijlema, Marcel; van de Giesen, Nick

    2018-02-01

    The three-dimensional (3-D) modelling of water systems involving double-diffusive processes is challenging due to the large computation times required to solve the flow and transport of constituents. In 3-D systems that approach axisymmetry around a central location, computation times can be reduced by applying a 2-D axisymmetric model set-up. This article applies the Reynolds-averaged Navier-Stokes equations described in cylindrical coordinates and integrates them to guarantee mass and momentum conservation. The discretized equations are presented in a way that a Cartesian finite-volume model can be easily extended to the developed framework, which is demonstrated by the implementation into a non-hydrostatic free-surface flow model. This model employs temperature- and salinity-dependent densities, molecular diffusivities, and kinematic viscosity. One quantitative case study, based on an analytical solution derived for the radial expansion of a dense water layer, and two qualitative case studies demonstrate a good behaviour of the model for seepage inflows with contrasting salinities and temperatures. Four case studies with respect to double-diffusive processes in a stratified water body demonstrate that turbulent flows are not yet correctly modelled near the interfaces and that an advanced turbulence model is required.

  17. Effects of Nonhydrostatic Stress on Structural and Optoelectronic Properties of Methylammonium Lead Bromide Perovskite

    Zhang, Rong; Cai, Weizhao; Bi, Tiange; Zarifi, Niloofar; Terpstra, Tyson; Zhang, Chuang; Verdent, Z. Valy; Zurek, Eva; Deemyad, Shanti (Buffalo); (Utah)

    2017-07-13

    We report synchrotron X-ray diffraction, photoconductivity, and photoluminescence investigations of methylammonium-lead-bromide (MAPbBr3) under various stress conditions, supported by density-functional-theory (DFT) calculations. The properties of MAPbBr3 show substantial dependence on the hydrostatic conditions. While nonhydrostatic compression of MAPbBr3 leads to amorphization above 2.4 GPa, under quasi-hydrostatic (Ar) and hydrostatic (He) pressure, the sample remains in crystalline phases. A sequence of phase transitions between two cubic phases and orthorhombic Pnma phase is observed when using Ar, or no pressure-transmitting-medium (PTM). In helium-PTM only transitions between the two cubic structures and a new isostructural phase transition with a large volume collapse to a third cubic-phase at 2.7 GPa was observed. The photoluminescence measurements indicate a pressure-induced band gap-narrowing in the cubic phase I, and a blue-shift in the orthorhombic structure. DFT calculations illustrate that the dynamics of the organic molecules and the inorganic lattice, coupled via the N–H···Br hydrogen-bonding interactions, affect the Pb–Br distance and the bandgap evolution under pressure.

  18. The importance of modeling nonhydrostatic processes for dense water reproduction in the Southern Adriatic Sea

    Bellafiore, Debora; McKiver, William J.; Ferrarin, Christian; Umgiesser, Georg

    2018-05-01

    Dense water (DW) formation commonly occurs in the shallow Northern Adriatic Sea during winter outbreaks, when there is a combination of the cooling of surface waters by the winds and high salinity as a result of reduced river inputs. These DWs subsequently propagate southwards over a period of weeks/months, eventually arriving in the Southern Adriatic Sea. The investigation is based on a new nonhydrostatic (NH) formulation of the 3D finite element model SHYFEM that is validated for a number of theoretical test cases. Subsequently this model is used to simulate, through high-resolution numerical simulations, an extreme DW event that occurred in the Adriatic Sea in 2012. We perform both hydrostatic (HY) and NH simulations in order to explicitly see the impact of NH processes on the DW dynamics. The modeled results are compared to observations collected in the field campaign of March-April 2012 in the Southern Adriatic Sea. The NH run correctly reproduces the across isobath bottom-trapped gravity current characterizing the canyon DW pathways. It also more accurately captures the frequency and intensity of dense water cascading pulsing events, as the inclusion of NH processes produces stronger currents with different DW mixing characteristics. Finally, the NH run simulates internal gravity waves (IGW), generated during the cascading at the edge of the canyon, which propagate downslope. This IGW activity is not captured in the HY case.

  19. Mesoscale wind fluctuations over Danish waters

    Vincent, C.L.

    2010-12-15

    Mesoscale wind fluctuations affect the large scale integration of wind power because they undermine the day-ahead predictability of wind speed and power production, and because they can result in large fluctuations in power generation that must be balanced using reserve power. Large fluctuations in generated power are a particular problem for offshore wind farms because the typically high concentration of turbines within a limited geographical area means that fluctuations can be correlated across large numbers of turbines. Furthermore, organised mesoscale structures that often form over water, such as convective rolls and cellular convection, have length scales of tens of kilometers, and can cause large wind fluctuations on a time scale of around an hour. This thesis is an exploration of the predictability of mesoscale wind fluctuations using observations from the world's first two large offshore wind farms - Horns Rev I in the North Sea, and Nysted in the Baltic Sea. The thesis begins with a climatological analysis of wind fluctuations on time scales of 1-10 hours at the two sites. A novel method for calculating conditional climatologies of spectral information is proposed, based on binning and averaging the time axis of the Hilbert spectrum. Results reveal clear patterns between wind fluctuations and locally observed meteorological conditions. The analysis is expanded by classifying wind fluctuations on time scales of 1-3 hours according to synoptic patterns, satellite pictures and wind classes. Results indicate that cold air outbreaks and open cellular convection are a significant contributor to mesoscale wind variability at Horns Rev. The predictability of mesoscale wind fluctuations is tested by implementing standard statistical models that relate local wind variability to parameters based on a large scale weather analysis. The models show some skill, but only achieve a 15% improvement on a persistence forecast. The possibility of explicitly modelling

  20. Radiation chemistry

    Rodgers, F.; Rodgers, M.A.

    1987-01-01

    The contents of this book include: Interaction of ionizing radiation with matter; Primary products in radiation chemistry; Theoretical aspects of radiation chemistry; Theories of the solvated electron; The radiation chemistry of gases; Radiation chemistry of colloidal aggregates; Radiation chemistry of the alkali halides; Radiation chemistry of polymers; Radiation chemistry of biopolymers; Radiation processing and sterilization; and Compound index

  1. Evaluation of a mesoscale dispersion modelling tool during the CAPITOUL experiment

    Lac, C.; Bonnardot, F.; Connan, O.; Camail, C.; Maro, D.; Hebert, D.; Rozet, M.; Pergaud, J.

    2008-12-01

    Atmospheric transport and dispersion were investigated during the CAPITOUL campaign using measurements of sulphur hexafluoride (SF6) tracer. Six releases of SF6 tracer were performed (March 9-11 and July 1-3, 2004) in the same suburban area of Toulouse conurbation, during the Intensive Observing Periods (IOP) of CAPITOUL. Concentration data were collected both at ground-level along axes perpendicular to the wind direction (at distances ranging between 280 m and 5000 m from the release point), and above the ground at 100 m and 200 m height using aircraft flights. Meteorological conditions were all associated with daytime anticyclonic conditions with weak winds and convective clear and cloudy boundary layers. A meso-scale dispersion modelling system, PERLE, developed at Meteo-France for environmental emergencies in case of atmospheric accidental release, was evaluated in terms of meteorology and dispersion, for the different tracer experiments, in its operational configuration. PERLE is based on the combination of the non-hydrostatic meso-scale MESO-NH model, running at 2 km horizontal resolution, and the Lagrangian particle model SPRAY. The statistical meteorological evaluation includes two sets of simulations with initialisation from ECMWF or ALADIN. The meteorological day-to-day error statistics show fairly good Meso-NH predictions, in terms of wind speed, wind direction and near-surface temperature. A strong sensitivity to initial fields concerns the surface fluxes, crucial for dispersion, with an excessive drying of the convective boundary layer with ALADIN initial fields, leading to an overprediction of surface sensible heat fluxes. A parameterization of dry and shallow convection according to the Eddy-Diffusivity-Mass-Flux (EDMF) approach (Pergaud et al. 2008) allows an efficient mixing in the Convective Boundary Layer (CBL) and improves significantly the wind fields. A statistical evaluation of the dispersion prediction was then performed and shows a

  2. Mesoscale simulation of concrete spall failure

    Knell, S.; Sauer, M.; Millon, O.; Riedel, W.

    2012-05-01

    Although intensively studied, it is still being debated which physical mechanisms are responsible for the increase of dynamic strength and fracture energy of concrete observed at high loading rates, and to what extent structural inertia forces on different scales contribute to the observation. We present a new approach for the three dimensional mesoscale modelling of dynamic damage and cracking in concrete. Concrete is approximated as a composite of spherical elastic aggregates of mm to cm size embedded in an elastic cement stone matrix. Cracking within the matrix and at aggregate interfaces in the μm range are modelled with adaptively inserted—initially rigid—cohesive interface elements. The model is applied to analyse the dynamic tensile failure observed in Hopkinson-Bar spallation experiments with strain rates up to 100/s. The influence of the key mesoscale failure parameters of strength, fracture energy and relative weakening of the ITZ on macromechanic strength, momentum and energy conservation is numerically investigated.

  3. Mesoscale wind fluctuations over Danish waters

    Vincent, Claire Louise

    in generated power are a particular problem for oshore wind farms because the typically high concentration of turbines within a limited geographical area means that uctuations can be correlated across large numbers of turbines. Furthermore, organised mesoscale structures that often form over water......Mesoscale wind uctuations aect the large scale integration of wind power because they undermine the day-ahead predictability of wind speed and power production, and because they can result in large uctuations in power generation that must be balanced using reserve power. Large uctuations...... that realistic hour-scale wind uctuations and open cellular convection patterns develop in WRF simulations with 2km horizontal grid spacing. The atmospheric conditions during one of the case studies are then used to initialise a simplied version of the model that has no large scale weather forcing, topography...

  4. The effect of regional-scale soil-moisture deficits on mesoscale atmospheric dynamics that influence fire severity

    Fast, J.D.

    1994-09-30

    This study employs a three-dimensional, nonhydrostatic mesoscale model to evaluate the effects of horizontally heterogeneous soil moisture and vegetation type on the atmosphere during two periods in which wildland fires occurred. Numerical sensitivity simulations demonstrate that evapotranspiration significantly affects the boundary-layer structure embedded in the synoptic-scale circulations. In regions with sufficiently moist soils, evapotranspiration increases the humidity and modifies the diurnally varying temperature near the surface. Occasionally, changes in the humidity and temperature fields can also be seen a significant distance downwind of the moist soil regions. The perturbations in the temperature fields ultimately affect the wind speed and direction over or at the boundaries of the moist-soil regions, but only at certain times during the simulation period. The higher humidity also increases the cloudiness and changes the precipitation amounts, indicating that soil moisture and vegetation may play an important role in modifying the spatial distribution and intensity of precipitation. A lower atmospheric stability index, that is an indicator of the potential for wildland fire, is also calculated from the model results. This index is also sensitive to the horizontal distribution of soil moisture and vegetation, especially in regions with relatively moist soils. While only two periods are examined in this study, the impact of surface inhomogeneities in soil moisture and vegetation type on the atmosphere is expected to be highly dependent on the particular synoptic conditions and upon the distribution of soil moisture.

  5. Modeling lightning-NOx chemistry on a sub-grid scale in a global chemical transport model

    A. Gressent

    2016-05-01

    Full Text Available For the first time, a plume-in-grid approach is implemented in a chemical transport model (CTM to parameterize the effects of the nonlinear reactions occurring within high concentrated NOx plumes from lightning NOx emissions (LNOx in the upper troposphere. It is characterized by a set of parameters including the plume lifetime, the effective reaction rate constant related to NOx–O3 chemical interactions, and the fractions of NOx conversion into HNO3 within the plume. Parameter estimates were made using the Dynamical Simple Model of Atmospheric Chemical Complexity (DSMACC box model, simple plume dispersion simulations, and the 3-D Meso-NH (non-hydrostatic mesoscale atmospheric model. In order to assess the impact of the LNOx plume approach on the NOx and O3 distributions on a large scale, simulations for the year 2006 were performed using the GEOS-Chem global model with a horizontal resolution of 2° × 2.5°. The implementation of the LNOx parameterization implies an NOx and O3 decrease on a large scale over the region characterized by a strong lightning activity (up to 25 and 8 %, respectively, over central Africa in July and a relative increase downwind of LNOx emissions (up to 18 and 2 % for NOx and O3, respectively, in July. The calculated variability in NOx and O3 mixing ratios around the mean value according to the known uncertainties in the parameter estimates is at a maximum over continental tropical regions with ΔNOx [−33.1, +29.7] ppt and ΔO3 [−1.56, +2.16] ppb, in January, and ΔNOx [−14.3, +21] ppt and ΔO3 [−1.18, +1.93] ppb, in July, mainly depending on the determination of the diffusion properties of the atmosphere and the initial NO mixing ratio injected by lightning. This approach allows us (i to reproduce a more realistic lightning NOx chemistry leading to better NOx and O3 distributions on the large scale and (ii to focus on other improvements to reduce remaining uncertainties from processes

  6. The effects of the solid inner core and nonhydrostatic structure on the earth's forced nutations and earth tides

    De Vries, Dan; Wahr, John M.

    1991-01-01

    This paper computes the effects of the solid inner core (IC) on the forced nutations and earth tides, and on certain of the earth's rotational normal modes. The theoretical results are extended to include the effects of a solid IC and of nonhydrostatic structure. The presence of the IC is responsible for a new, almost diurnal, prograde normal mode which involves a relative rotation between the IC and fluid outer core about an equatorial axis. It is shown that the small size of the IC's effects on both nutations and tides is a consequence of the fact that the IC's moments of inertia are less than 1/1000 of the entire earth's.

  7. High-pressure crystal structure of elastically isotropic CaTiO3 perovskite under hydrostatic and non-hydrostatic conditions.

    Zhao, Jing; Ross, Nancy L; Wang, Di; Angel, Ross J

    2011-11-16

    The structural evolution of orthorhombic CaTiO3 perovskite has been studied using high-pressure single-crystal x-ray diffraction under hydrostatic conditions up to 8.1 GPa and under a non-hydrostatic stress field formed in a diamond anvil cell (DAC) up to 4.7 GPa. Under hydrostatic conditions, the TiO6 octahedra become more tilted and distorted with increasing pressure, similar to other 2:4 perovskites. Under non-hydrostatic conditions, the experiments do not show any apparent difference in the internal structural variation from hydrostatic conditions and no additional tilts and distortions in the TiO6 octahedra are observed, even though the lattice itself becomes distorted due to the non-hydrostatic stress. The similarity between the hydrostatic and non-hydrostatic cases can be ascribed to the fact that CaTiO3 perovskite is nearly elastically isotropic and, as a consequence, its deviatoric unit-cell volume strain produced by the non-hydrostatic stress is very small; in other words, the additional octahedral tilts relevant to the extra unit-cell volume associated with the deviatoric unit-cell volume strain may be totally neglected. This study further addresses the role that three factors--the elastic properties, the crystal orientation and the pressure medium--have on the structural evolution of an orthorhombic perovskite loaded in a DAC under non-hydrostatic conditions. The influence of these factors can be clearly visualized by plotting the three-dimensional distribution of the deviatoric unit-cell volume strain in relation to the cylindrical axis of the DAC and indicates that, if the elasticity of a perovskite is nearly isotropic as it is for CaTiO3, the other two factors become relatively insignificant.

  8. High-pressure crystal structure of elastically isotropic CaTiO3 perovskite under hydrostatic and non-hydrostatic conditions

    Zhao Jing; Ross, Nancy L; Wang, Di; Angel, Ross J

    2011-01-01

    The structural evolution of orthorhombic CaTiO 3 perovskite has been studied using high-pressure single-crystal x-ray diffraction under hydrostatic conditions up to 8.1 GPa and under a non-hydrostatic stress field formed in a diamond anvil cell (DAC) up to 4.7 GPa. Under hydrostatic conditions, the TiO 6 octahedra become more tilted and distorted with increasing pressure, similar to other 2:4 perovskites. Under non-hydrostatic conditions, the experiments do not show any apparent difference in the internal structural variation from hydrostatic conditions and no additional tilts and distortions in the TiO 6 octahedra are observed, even though the lattice itself becomes distorted due to the non-hydrostatic stress. The similarity between the hydrostatic and non-hydrostatic cases can be ascribed to the fact that CaTiO 3 perovskite is nearly elastically isotropic and, as a consequence, its deviatoric unit-cell volume strain produced by the non-hydrostatic stress is very small; in other words, the additional octahedral tilts relevant to the extra unit-cell volume associated with the deviatoric unit-cell volume strain may be totally neglected. This study further addresses the role that three factors-the elastic properties, the crystal orientation and the pressure medium-have on the structural evolution of an orthorhombic perovskite loaded in a DAC under non-hydrostatic conditions. The influence of these factors can be clearly visualized by plotting the three-dimensional distribution of the deviatoric unit-cell volume strain in relation to the cylindrical axis of the DAC and indicates that, if the elasticity of a perovskite is nearly isotropic as it is for CaTiO 3 , the other two factors become relatively insignificant. (paper)

  9. Nonhydrostatic and surfbeat model predictions of extreme wave run-up in fringing reef environments

    Lashley, Christopher H.; Roelvink, Dano; van Dongeren, Ap R.; Buckley, Mark L.; Lowe, Ryan J.

    2018-01-01

    The accurate prediction of extreme wave run-up is important for effective coastal engineering design and coastal hazard management. While run-up processes on open sandy coasts have been reasonably well-studied, very few studies have focused on understanding and predicting wave run-up at coral reef-fronted coastlines. This paper applies the short-wave resolving, Nonhydrostatic (XB-NH) and short-wave averaged, Surfbeat (XB-SB) modes of the XBeach numerical model to validate run-up using data from two 1D (alongshore uniform) fringing-reef profiles without roughness elements, with two objectives: i) to provide insight into the physical processes governing run-up in such environments; and ii) to evaluate the performance of both modes in accurately predicting run-up over a wide range of conditions. XBeach was calibrated by optimizing the maximum wave steepness parameter (maxbrsteep) in XB-NH and the dissipation coefficient (alpha) in XB-SB) using the first dataset; and then applied to the second dataset for validation. XB-NH and XB-SB predictions of extreme wave run-up (Rmax and R2%) and its components, infragravity- and sea-swell band swash (SIG and SSS) and shoreline setup (), were compared to observations. XB-NH more accurately simulated wave transformation but under-predicted shoreline setup due to its exclusion of parameterized wave-roller dynamics. XB-SB under-predicted sea-swell band swash but overestimated shoreline setup due to an over-prediction of wave heights on the reef flat. Run-up (swash) spectra were dominated by infragravity motions, allowing the short-wave (but not wave group) averaged model (XB-SB) to perform comparably well to its more complete, short-wave resolving (XB-NH) counterpart. Despite their respective limitations, both modes were able to accurately predict Rmax and R2%.

  10. A Non-hydrostatic Atmospheric Model for Global High-resolution Simulation

    Peng, X.; Li, X.

    2017-12-01

    A three-dimensional non-hydrostatic atmosphere model, GRAPES_YY, is developed on the spherical Yin-Yang grid system in order to enforce global high-resolution weather simulation or forecasting at the CAMS/CMA. The quasi-uniform grid makes the computation be of high efficiency and free of pole problem. Full representation of the three-dimensional Coriolis force is considered in the governing equations. Under the constraint of third-order boundary interpolation, the model is integrated with the semi-implicit semi-Lagrangian method using the same code on both zones. A static halo region is set to ensure computation of cross-boundary transport and updating Dirichlet-type boundary conditions in the solution process of elliptical equations with the Schwarz method. A series of dynamical test cases, including the solid-body advection, the balanced geostrophic flow, zonal flow over an isolated mountain, development of the Rossby-Haurwitz wave and a baroclinic wave, are carried out, and excellent computational stability and accuracy of the dynamic core has been confirmed. After implementation of the physical processes of long and short-wave radiation, cumulus convection, micro-physical transformation of water substances and the turbulent processes in the planetary boundary layer include surface layer vertical fluxes parameterization, a long-term run of the model is then put forward under an idealized aqua-planet configuration to test the model physics and model ability in both short-term and long-term integrations. In the aqua-planet experiment, the model shows an Earth-like structure of circulation. The time-zonal mean temperature, wind components and humidity illustrate reasonable subtropical zonal westerly jet, meridional three-cell circulation, tropical convection and thermodynamic structures. The specific SST and solar insolation being symmetric about the equator enhance the ITCZ and tropical precipitation, which concentrated in tropical region. Additional analysis and

  11. Non-hydrostatic semi-elastic hybrid-coordinate SISL extension of HIRLAM. Part I: numerical scheme

    Rõõm, Rein; Männik, Aarne; Luhamaa, Andres

    2007-10-01

    Two-time-level, semi-implicit, semi-Lagrangian (SISL) scheme is applied to the non-hydrostatic pressure coordinate equations, constituting a modified Miller-Pearce-White model, in hybrid-coordinate framework. Neutral background is subtracted in the initial continuous dynamics, yielding modified equations for geopotential, temperature and logarithmic surface pressure fluctuation. Implicit Lagrangian marching formulae for single time-step are derived. A disclosure scheme is presented, which results in an uncoupled diagnostic system, consisting of 3-D Poisson equation for omega velocity and 2-D Helmholtz equation for logarithmic pressure fluctuation. The model is discretized to create a non-hydrostatic extension to numerical weather prediction model HIRLAM. The discretization schemes, trajectory computation algorithms and interpolation routines, as well as the physical parametrization package are maintained from parent hydrostatic HIRLAM. For stability investigation, the derived SISL model is linearized with respect to the initial, thermally non-equilibrium resting state. Explicit residuals of the linear model prove to be sensitive to the relative departures of temperature and static stability from the reference state. Relayed on the stability study, the semi-implicit term in the vertical momentum equation is replaced to the implicit term, which results in stability increase of the model.

  12. Intense mesoscale variability in the Sardinia Sea

    Russo, Aniello; Borrione, Ines; Falchetti, Silvia; Knoll, Michaela; Fiekas, Heinz-Volker; Heywood, Karen; Oddo, Paolo; Onken, Reiner

    2015-04-01

    From the 6 to 25 June 2014, the REP14-MED sea trial was conducted by CMRE, supported by 20 partners from six different nations. The at-sea activities were carried out onboard the research vessels Alliance (NATO) and Planet (German Ministry of Defense), comprising a marine area of about 110 x 110 km2 to the west of the Sardinian coast. More than 300 CTD casts typically spaced at 10 km were collected; both ships continuously recorded vertical profiles of currents by means of their ADCPs, and a ScanFish® and a CTD chain were towed for almost three days by Alliance and Planet, respectively, following parallel routes. Twelve gliders from different manufacturers (Slocum, SeaGliderTM and SeaExplorer) were continuously sampling the study area following zonal tracks spaced at 10 km. In addition, six moorings, 17 surface drifters and one ARVOR float were deployed. From a first analysis of the observations, several mesoscale features were identified in the survey area, in particular: (i) a warm-core anticyclonic eddy in the southern part of the domain, about 50 km in diameter and with the strongest signal at about 50-m depth (ii) another warm-core anticyclonic eddy of comparable dimensions in the central part of the domain, but extending to greater depth than the former one, and (iii) a small (less than 15 km in diameter) cold-core cyclonic eddy of Winter Intermediate Water in the depth range between 170 m and 370 m. All three eddies showed intensified currents, up to 50 cm s-1. The huge high-resolution observational data set and the variety of observation techniques enabled the mesoscale features and their variability to be tracked for almost three weeks. In order to obtain a deeper understanding of the mesoscale dynamic behaviour and their interactions, assimilation studies with an ocean circulation model are underway.

  13. Determinants of Tree Assemblage Composition at the Mesoscale within a Subtropical Eucalypt Forest

    Hero, Jean-Marc; Butler, Sarah A.; Lollback, Gregory W.; Castley, James G.

    2014-01-01

    A variety of environmental processes, including topography, edaphic and disturbance factors can influence vegetation composition. The relative influence of these patterns has been known to vary with scale, however, few studies have focused on environmental drivers of composition at the mesoscale. This study examined the relative importance of topography, catchment flow and soil in influencing tree assemblages in Karawatha Forest Park; a South-East Queensland subtropical eucalypt forest embedded in an urban matrix that is part of the Terrestrial Ecosystem Research Network South-East Queensland Peri-urban SuperSite. Thirty-three LTER plots were surveyed at the mesoscale (909 ha), where all woody stems ≥1.3 m high rooted within plots were sampled. Vegetation was divided into three cohorts: small (≥1–10 cm DBH), intermediate (≥10–30 cm DBH), and large (≥30 cm DBH). Plot slope, aspect, elevation, catchment area and location and soil chemistry and structure were also measured. Ordinations and smooth surface modelling were used to determine drivers of vegetation assemblage in each cohort. Vegetation composition was highly variable among plots at the mesoscale (plots systematically placed at 500 m intervals). Elevation was strongly related to woody vegetation composition across all cohorts (R2: 0.69–0.75). Other topographic variables that explained a substantial amount of variation in composition were catchment area (R2: 0.43–0.45) and slope (R2: 0.23–0.61). Soil chemistry (R2: 0.09–0.75) was also associated with woody vegetation composition. While species composition differed substantially between cohorts, the environmental variables explaining composition did not. These results demonstrate the overriding importance of elevation and other topographic features in discriminating tree assemblage patterns irrespective of tree size. The importance of soil characteristics to tree assemblages was also influenced by topography, where ridge top sites were

  14. Mesoscale Eddies in the Solomon Sea

    Hristova, H. G.; Kessler, W. S.; McWilliams, J. C.; Molemaker, M. J.

    2011-12-01

    Water mass transformation in the strong equatorward flows through the Solomon Sea influences the properties of the Equatorial Undercurrent and subsequent cold tongue upwelling. High eddy activity in the interior Solomon Sea seen in altimetric sea surface height (SSH) and in several models may provide a mechanism for these transformations. We investigate these effects using a mesoscale (4-km resolution) sigma-coordinate (ROMS) model of the Solomon Sea nested in a basin solution, forced by a repeating seasonal cycle, and evaluated against observational data. The model generates a vigorous upper layer eddy field; some of these are apparently shed as the New Guinea Coastal Undercurrent threads through the complex topography of the region, others are independent of the strong western boundary current. We diagnose the scales and vertical structure of the eddies in different parts of the Solomon Sea to illuminate their generation processes and propagation characteristics, and compare these to observed eddy statistics. Hypotheses tested are that the Solomon Sea mesoscale eddies are generated locally by baroclinic instability, that the eddies are shed as the South Equatorial Current passes around and through the Solomon Island chain, that eddies are generated by the New Guinea Coastal Undercurrent, or that eddies occurring outside of the Solomon Sea propagate into the Solomon Sea. These different mechanisms have different implications for the resulting mixing and property fluxes. They also provide different interpretations for SSH signals observed from satellites (e.g., that will be observed by the upcoming SWOT satellite).

  15. The structural variation of rhombohedral LaAlO3 perovskite under non-hydrostatic stress fields in a diamond-anvil cell

    Zhao Jing; Angel, Ross J; Ross, Nancy L

    2011-01-01

    The structural variation of LaAlO 3 perovskite under non-hydrostatic stress developed in the pressure medium within a diamond-anvil cell was determined using single-crystal x-ray diffraction. The experimental results show that the lattice of LaAlO 3 becomes more distorted and deviates from the hydrostatic behavior as pressure is increased up to 7.5 GPa. The determination of the crystal structure further confirms that the octahedral AlO 6 groups become more distorted, but the octahedral rotation around the threefold axis decreases as under hydrostatic conditions. These experimental results can be reproduced from knowledge of the elastic tensor of the sample at ambient conditions and the stress state within the pressure medium. Further calculations for two other orientations also indicate that non-hydrostatic stress has only a small effect on the rotation of the AlO 6 octahedra towards zero, but non-hydrostatic stress inevitably leads to distortions in the crystal lattice and the AlO 6 octahedra. As a result, the crystal structure is eventually driven away from cubic symmetry under non-hydrostatic conditions, whereas it evolves towards cubic symmetry under hydrostatic pressure.

  16. Bad chemistry

    Petsko, Gregory A

    2004-01-01

    General chemistry courses haven't changed significantly in forty years. Because most basic chemistry students are premedical students, medical schools have enormous influence and could help us start all over again to create undergraduate chemistry education that works.

  17. Mesoscale Effects on Carbon Export: A Global Perspective

    Harrison, Cheryl S.; Long, Matthew C.; Lovenduski, Nicole S.; Moore, Jefferson K.

    2018-04-01

    Carbon export from the surface to the deep ocean is a primary control on global carbon budgets and is mediated by plankton that are sensitive to physical forcing. Earth system models generally do not resolve ocean mesoscale circulation (O(10-100) km), scales that strongly affect transport of nutrients and plankton. The role of mesoscale circulation in modulating export is evaluated by comparing global ocean simulations conducted at 1° and 0.1° horizontal resolution. Mesoscale resolution produces a small reduction in globally integrated export production (export production can be large (±50%), with compensating effects in different ocean basins. With mesoscale resolution, improved representation of coastal jets block off-shelf transport, leading to lower export in regions where shelf-derived nutrients fuel production. Export is further reduced in these regions by resolution of mesoscale turbulence, which restricts the spatial area of production. Maximum mixed layer depths are narrower and deeper across the Subantarctic at higher resolution, driving locally stronger nutrient entrainment and enhanced summer export production. In energetic regions with seasonal blooms, such as the Subantarctic and North Pacific, internally generated mesoscale variability drives substantial interannual variation in local export production. These results suggest that biogeochemical tracer dynamics show different sensitivities to transport biases than temperature and salinity, which should be considered in the formulation and validation of physical parameterizations. Efforts to compare estimates of export production from observations and models should account for large variability in space and time expected for regions strongly affected by mesoscale circulation.

  18. Extreme gust wind estimation using mesoscale modeling

    Larsén, Xiaoli Guo; Kruger, Andries

    2014-01-01

    , surface turbulence characteristics. In this study, we follow a theory that is different from the local gust concept as described above. In this theory, the gust at the surface is non-local; it is produced by the deflection of air parcels flowing in the boundary layer and brought down to the surface...... from the Danish site Høvsøre help us to understand the limitation of the traditional method. Good agreement was found between the extreme gust atlases for South Africa and the existing map made from a limited number of measurements across the country. Our study supports the non-local gust theory. While...... through turbulent eddies. This process is modeled using the mesoscale Weather Forecasting and Research (WRF) model. The gust at the surface is calculated as the largest winds over a layer where the averaged turbulence kinetic energy is greater than the averaged buoyancy force. The experiments have been...

  19. Mesoscale Modelling of the Response of Aluminas

    Bourne, N. K.

    2006-01-01

    The response of polycrystalline alumina to shock is not well addressed. There are several operating mechanisms that only hypothesized which results in models which are empirical. A similar state of affairs in reactive flow modelling led to the development of mesoscale representations of the flow to illuminate operating mechanisms. In this spirit, a similar effort is undergone for a polycrystalline alumina. Simulations are conducted to observe operating mechanisms at the micron scale. A method is then developed to extend the simulations to meet response at the continuum level where measurements are made. The approach is validated by comparison with continuum experiments. The method and results are presented, and some of the operating mechanisms are illuminated by the observed response

  20. Outcomes and challenges of global high-resolution non-hydrostatic atmospheric simulations using the K computer

    Satoh, Masaki; Tomita, Hirofumi; Yashiro, Hisashi; Kajikawa, Yoshiyuki; Miyamoto, Yoshiaki; Yamaura, Tsuyoshi; Miyakawa, Tomoki; Nakano, Masuo; Kodama, Chihiro; Noda, Akira T.; Nasuno, Tomoe; Yamada, Yohei; Fukutomi, Yoshiki

    2017-12-01

    This article reviews the major outcomes of a 5-year (2011-2016) project using the K computer to perform global numerical atmospheric simulations based on the non-hydrostatic icosahedral atmospheric model (NICAM). The K computer was made available to the public in September 2012 and was used as a primary resource for Japan's Strategic Programs for Innovative Research (SPIRE), an initiative to investigate five strategic research areas; the NICAM project fell under the research area of climate and weather simulation sciences. Combining NICAM with high-performance computing has created new opportunities in three areas of research: (1) higher resolution global simulations that produce more realistic representations of convective systems, (2) multi-member ensemble simulations that are able to perform extended-range forecasts 10-30 days in advance, and (3) multi-decadal simulations for climatology and variability. Before the K computer era, NICAM was used to demonstrate realistic simulations of intra-seasonal oscillations including the Madden-Julian oscillation (MJO), merely as a case study approach. Thanks to the big leap in computational performance of the K computer, we could greatly increase the number of cases of MJO events for numerical simulations, in addition to integrating time and horizontal resolution. We conclude that the high-resolution global non-hydrostatic model, as used in this five-year project, improves the ability to forecast intra-seasonal oscillations and associated tropical cyclogenesis compared with that of the relatively coarser operational models currently in use. The impacts of the sub-kilometer resolution simulation and the multi-decadal simulations using NICAM are also reviewed.

  1. Probabilistic, meso-scale flood loss modelling

    Kreibich, Heidi; Botto, Anna; Schröter, Kai; Merz, Bruno

    2016-04-01

    Flood risk analyses are an important basis for decisions on flood risk management and adaptation. However, such analyses are associated with significant uncertainty, even more if changes in risk due to global change are expected. Although uncertainty analysis and probabilistic approaches have received increased attention during the last years, they are still not standard practice for flood risk assessments and even more for flood loss modelling. State of the art in flood loss modelling is still the use of simple, deterministic approaches like stage-damage functions. Novel probabilistic, multi-variate flood loss models have been developed and validated on the micro-scale using a data-mining approach, namely bagging decision trees (Merz et al. 2013). In this presentation we demonstrate and evaluate the upscaling of the approach to the meso-scale, namely on the basis of land-use units. The model is applied in 19 municipalities which were affected during the 2002 flood by the River Mulde in Saxony, Germany (Botto et al. submitted). The application of bagging decision tree based loss models provide a probability distribution of estimated loss per municipality. Validation is undertaken on the one hand via a comparison with eight deterministic loss models including stage-damage functions as well as multi-variate models. On the other hand the results are compared with official loss data provided by the Saxon Relief Bank (SAB). The results show, that uncertainties of loss estimation remain high. Thus, the significant advantage of this probabilistic flood loss estimation approach is that it inherently provides quantitative information about the uncertainty of the prediction. References: Merz, B.; Kreibich, H.; Lall, U. (2013): Multi-variate flood damage assessment: a tree-based data-mining approach. NHESS, 13(1), 53-64. Botto A, Kreibich H, Merz B, Schröter K (submitted) Probabilistic, multi-variable flood loss modelling on the meso-scale with BT-FLEMO. Risk Analysis.

  2. From Quanta to the Continuum: Opportunities for Mesoscale Science

    Crabtree, George [Argonne National Lab. (ANL), Argonne, IL (United States); Sarrao, John [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Alivisatos, Paul [Univ. of California, Berkeley, CA (United States); Barletta, William [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States); Bates, Frank [Univ. of Minnesota, Minneapolis, MN (United States); Brown, Gordon [Stanford Univ., CA (United States); French, Roger [Case Western Reserve Univ., Cleveland, OH (United States); Greene, Laura [Univ. of Illinois, Urbana, IL (United States); Hemminger, John [Univ. of California, Irvine, CA (United States); Kastner, Marc [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States); Kay, Bruce [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lewis, Jennifer [Univ. of Illinois, Urbana, IL (United States); Ratner, Mark [Northwestern Univ., Evanston, IL (United States); Anthony, Rollett [Carnegie Mellon Univ., Pittsburgh, PA (United States); Rubloff, Gary [University of Maryland, College Park, MD (United States); Spence, John [Arizona State Univ., Mesa, AZ (United States); Tobias, Douglas [Univ. of California, Irvine, CA (United States); Tranquada, John [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2012-09-01

    This report explores the opportunity and defines the research agenda for mesoscale science—discovering, understanding, and controlling interactions among disparate systems and phenomena to reach the full potential of materials complexity and functionality. The ability to predict and control mesoscale phenomena and architectures is essential if atomic and molecular knowledge is to blossom into a next generation of technology opportunities, societal benefits, and scientific advances.. The body of this report outlines the need, the opportunities, the challenges, and the benefits of mastering mesoscale science.

  3. Complex chemistry

    Kim, Bong Gon; Kim, Jae Sang; Kim, Jin Eun; Lee, Boo Yeon

    2006-06-01

    This book introduces complex chemistry with ten chapters, which include development of complex chemistry on history coordination theory and Warner's coordination theory and new development of complex chemistry, nomenclature on complex with conception and define, chemical formula on coordination compound, symbol of stereochemistry, stereo structure and isomerism, electron structure and bond theory on complex, structure of complex like NMR and XAFS, balance and reaction on solution, an organo-metallic chemistry, biology inorganic chemistry, material chemistry of complex, design of complex and calculation chemistry.

  4. Mathematical Chemistry

    Trinajstić, Nenad; Gutman, Ivan

    2002-01-01

    A brief description is given of the historical development of mathematics and chemistry. A path leading to the meeting of these two sciences is described. An attempt is made to define mathematical chemistry, and journals containing the term mathematical chemistry in their titles are noted. In conclusion, the statement is made that although chemistry is an experimental science aimed at preparing new compounds and materials, mathematics is very useful in chemistry, among other things, to produc...

  5. North American Mesoscale Forecast System (NAM) [12 km

    National Oceanic and Atmospheric Administration, Department of Commerce — The North American Mesoscale Forecast System (NAM) is one of the major regional weather forecast models run by the National Centers for Environmental Prediction...

  6. Assimilation of Doppler weather radar observations in a mesoscale ...

    Research (PSU–NCAR) mesoscale model (MM5) version 3.5.6. The variational data assimilation ... investigation of the direct assimilation of radar reflectivity data in 3DVAR system. The present ...... Results presented in this paper are based on.

  7. The Coupled Ocean/Atmosphere Mesoscale Prediction System (COAMPS)

    Hodur, Richard M; Hong, Xiaodong; Doyle, James D; Pullen, Julie; Cummings, James; Martin, Paul; Rennick, Mary Alice

    2002-01-01

    ... of the Couple Ocean/Atmosphere Mesoscale Prediction System (COAMPS). The goal of this modeling project is to gain predictive skill in simulating the ocean and atmosphere at high resolution on time-scales of hours to several days...

  8. Mesoscale circulation systems and ozone concentrations during ESCOMPTE: a case study from IOP 2b

    Kalthoff, N.; Kottmeier, C.; Thürauf, J.; Corsmeier, U.; Saїd, F.; Fréjafon, E.; Perros, P. E.

    2005-03-01

    The main objective of 'Expérience sur Site pour COntraindre les Modèles de Pollution atmosphérique et de Transport d'Emissions' (ESCOMPTE) is to generate a relevant data set for testing and evaluating mesoscale chemistry-transport models (CTMs). During ESCOMPTE, measurements have been performed at numerous surface stations, by radars and lidars, and several aircraft in the planetary boundary layer. The data from these different sources have been merged to obtain a consistent description of the spatial distribution of wind, temperature, humidity, and ozone for the photosmog episode on June 25, 2001 (IOP 2b). On this day, moderate synoptic winds favour the evolution of different mesoscale circulation systems. During daytime, the sea breeze penetrates towards the north in the Rhône valley. As the winds above the sea breeze layer come from the east, polluted air from the metropolitan area of Marseille leads to an increase of ozone at elevated layers above the convective boundary layer (CBL). At the mountainous station of Luberon about 55 km north of Marseille around noon, when the CBL top surpasses the height of the mountain summit, polluted air with ozone concentrations of about 120 ppbv arrived from southerly directions, thus indicating the passage of the city plume of Marseille. At Cadarache and Vinon in the Durance valley, about 60 km inland, the ozone maximum at the surface and at flight level 920 m MSL appears between 14 and 15 UTC. At this time, southwesterly valley winds prevail in the valley, while southerly winds occur above. This finding highlights the height-dependent advection of ozone due to interacting mesoscale circulation systems. These dynamical processes need to be represented adequately in CTMs to deliver a realistic description of the ozone concentration fields.

  9. Unifying Inference of Meso-Scale Structures in Networks.

    Tunç, Birkan; Verma, Ragini

    2015-01-01

    Networks are among the most prevalent formal representations in scientific studies, employed to depict interactions between objects such as molecules, neuronal clusters, or social groups. Studies performed at meso-scale that involve grouping of objects based on their distinctive interaction patterns form one of the main lines of investigation in network science. In a social network, for instance, meso-scale structures can correspond to isolated social groupings or groups of individuals that serve as a communication core. Currently, the research on different meso-scale structures such as community and core-periphery structures has been conducted via independent approaches, which precludes the possibility of an algorithmic design that can handle multiple meso-scale structures and deciding which structure explains the observed data better. In this study, we propose a unified formulation for the algorithmic detection and analysis of different meso-scale structures. This facilitates the investigation of hybrid structures that capture the interplay between multiple meso-scale structures and statistical comparison of competing structures, all of which have been hitherto unavailable. We demonstrate the applicability of the methodology in analyzing the human brain network, by determining the dominant organizational structure (communities) of the brain, as well as its auxiliary characteristics (core-periphery).

  10. Unifying Inference of Meso-Scale Structures in Networks.

    Birkan Tunç

    Full Text Available Networks are among the most prevalent formal representations in scientific studies, employed to depict interactions between objects such as molecules, neuronal clusters, or social groups. Studies performed at meso-scale that involve grouping of objects based on their distinctive interaction patterns form one of the main lines of investigation in network science. In a social network, for instance, meso-scale structures can correspond to isolated social groupings or groups of individuals that serve as a communication core. Currently, the research on different meso-scale structures such as community and core-periphery structures has been conducted via independent approaches, which precludes the possibility of an algorithmic design that can handle multiple meso-scale structures and deciding which structure explains the observed data better. In this study, we propose a unified formulation for the algorithmic detection and analysis of different meso-scale structures. This facilitates the investigation of hybrid structures that capture the interplay between multiple meso-scale structures and statistical comparison of competing structures, all of which have been hitherto unavailable. We demonstrate the applicability of the methodology in analyzing the human brain network, by determining the dominant organizational structure (communities of the brain, as well as its auxiliary characteristics (core-periphery.

  11. Using Coupled Mesoscale Experiments and Simulations to Investigate High Burn-Up Oxide Fuel Thermal Conductivity

    Teague, Melissa C.; Fromm, Bradley S.; Tonks, Michael R.; Field, David P.

    2014-12-01

    Nuclear energy is a mature technology with a small carbon footprint. However, work is needed to make current reactor technology more accident tolerant and to allow reactor fuel to be burned in a reactor for longer periods of time. Optimizing the reactor fuel performance is essentially a materials science problem. The current understanding of fuel microstructure have been limited by the difficulty in studying the structure and chemistry of irradiated fuel samples at the mesoscale. Here, we take advantage of recent advances in experimental capabilities to characterize the microstructure in 3D of irradiated mixed oxide (MOX) fuel taken from two radial positions in the fuel pellet. We also reconstruct these microstructures using Idaho National Laboratory's MARMOT code and calculate the impact of microstructure heterogeneities on the effective thermal conductivity using mesoscale heat conduction simulations. The thermal conductivities of both samples are higher than the bulk MOX thermal conductivity because of the formation of metallic precipitates and because we do not currently consider phonon scattering due to defects smaller than the experimental resolution. We also used the results to investigate the accuracy of simple thermal conductivity approximations and equations to convert 2D thermal conductivities to 3D. It was found that these approximations struggle to predict the complex thermal transport interactions between metal precipitates and voids.

  12. Mesoscale atmospheric modelling technology as a tool for the long-term meteorological dataset development

    Platonov, Vladimir; Kislov, Alexander; Rivin, Gdaly; Varentsov, Mikhail; Rozinkina, Inna; Nikitin, Mikhail; Chumakov, Mikhail

    2017-04-01

    The detailed hydrodynamic modelling of meteorological parameters during the last 30 years (1985 - 2014) was performed for the Okhotsk Sea and the Sakhalin island regions. The regional non-hydrostatic atmospheric model COSMO-CLM used for this long-term simulation with 13.2, 6.6 and 2.2 km horizontal resolutions. The main objective of creation this dataset was the outlook of the investigation of statistical characteristics and the physical mechanisms of extreme weather events (primarily, wind speed extremes) on the small spatio-temporal scales. COSMO-CLM is the climate version of the well-known mesoscale COSMO model, including some modifications and extensions adapting to the long-term numerical experiments. The downscaling technique was realized and developed for the long-term simulations with three consequent nesting domains. ERA-Interim reanalysis ( 0.75 degrees resolution) used as global forcing data for the starting domain ( 13.2 km horizontal resolution), then these simulation data used as initial and boundary conditions for the next model runs over the domain with 6.6 km resolution, and similarly, for the next step to 2.2 km domain. Besides, the COSMO-CLM model configuration for 13.2 km run included the spectral nudging technique, i.e. an additional assimilation of reanalysis data not only at boundaries, but also inside the whole domain. Practically, this computational scheme realized on the SGI Altix 4700 supercomputer system in the Main Computer Center of Roshydromet and used 2,400 hours of CPU time total. According to modelling results, the verification of the obtained dataset was performed on the observation data. Estimations showed the mean error -0.5 0C, up to 2 - 3 0C RMSE in temperature, and overestimation in wind speed (RMSE is up to 2 m/s). Overall, analysis showed that the used downscaling technique with applying the COSMO-CLM model reproduced the meteorological conditions, spatial distribution, seasonal and synoptic variability of temperature and

  13. The Representation of Tropical Cyclones Within the Global William Putman Non-Hydrostatic Goddard Earth Observing System Model (GEOS-5) at Cloud-Permitting Resolutions

    Putman, William M.

    2010-01-01

    The Goddard Earth Observing System Model (GEOS-S), an earth system model developed in the NASA Global Modeling and Assimilation Office (GMAO), has integrated the non-hydrostatic finite-volume dynamical core on the cubed-sphere grid. The extension to a non-hydrostatic dynamical framework and the quasi-uniform cubed-sphere geometry permits the efficient exploration of global weather and climate modeling at cloud permitting resolutions of 10- to 4-km on today's high performance computing platforms. We have explored a series of incremental increases in global resolution with GEOS-S from irs standard 72-level 27-km resolution (approx.5.5 million cells covering the globe from the surface to 0.1 hPa) down to 3.5-km (approx. 3.6 billion cells).

  14. Cycloidal meandering of a mesoscale anticyclonic eddy

    Kizner, Ziv; Shteinbuch-Fridman, Biana; Makarov, Viacheslav; Rabinovich, Michael

    2017-08-01

    By applying a theoretical approach, we propose a hypothetical scenario that might explain some features of the movement of a long-lived mesoscale anticyclone observed during 1990 in the Bay of Biscay [R. D. Pingree and B. Le Cann, "Three anticyclonic slope water oceanic eddies (SWODDIES) in the southern Bay of Biscay in 1990," Deep-Sea Res., Part A 39, 1147 (1992)]. In the remote-sensing infrared images, at the initial stage of observations, the anticyclone was accompanied by two cyclonic eddies, so the entire structure appeared as a tripole. However, at later stages, only the anticyclone was seen in the images, traveling generally west. Unusual for an individual eddy were the high speed of its motion (relative to the expected planetary beta-drift) and the presence of almost cycloidal meanders in its trajectory. Although surface satellites seem to have quickly disappeared, we hypothesize that subsurface satellites continued to exist, and the coherence of the three vortices persisted for a long time. A significant perturbation of the central symmetry in the mutual arrangement of three eddies constituting a tripole can make reasonably fast cycloidal drift possible. This hypothesis is tested with two-layer contour-dynamics f-plane simulations and with finite-difference beta-plane simulations. In the latter case, the interplay of the planetary beta-effect and that due to the sloping bottom is considered.

  15. Mesoscale simulations of hydrodynamic squirmer interactions.

    Götze, Ingo O; Gompper, Gerhard

    2010-10-01

    The swimming behavior of self-propelled microorganisms is studied by particle-based mesoscale simulations. The simulation technique includes both hydrodynamics and thermal fluctuations that are both essential for the dynamics of microswimmers. The swimmers are modeled as squirmers, i.e., spherical objects with a prescribed tangential surface velocity, where the focus of thrust generation can be tuned from pushers to pullers. For passive squirmers (colloids), we show that the velocity autocorrelation function agrees quantitatively with the Boussinesq approximation. Single active squirmers show a persistent random-walk behavior, determined by forward motion, lateral diffusion, and orientational fluctuations, in agreement with theoretical predictions. For pairs of squirmers, which are initially swimming in parallel, we find an attraction for pushers and a repulsion for pullers, as expected. The hydrodynamic force between squirmer pairs is calculated as a function of the center-to-center distances d(cm) and is found to be consistent with a logarithmic distance dependence for d(cm) less than about two sphere diameters; here, the force is considerably stronger than expected from the far-field expansion. The dependence of the force strength on the asymmetry of the polar surface velocity is obtained. During the collision process, thermal fluctuations turn out to be very important and to strongly affect the postcollision velocity directions of both squirmers.

  16. On the influence of temporal and spatial resolution of aircraft emission inventories for mesoscale modeling of pollutant dispersion

    Franzkowiak, V.; Petry, H.; Ebel, A. [Cologne Univ. (Germany). Inst. for Geophysics and Meteorology

    1997-12-31

    The sensitivity of a mesoscale chemistry transport model to the temporal and spatial resolution of aircraft emission inventories is evaluated. A statistical analysis of air traffic in the North-Atlantic flight corridor is carried out showing a highly variable, fine structured spatial distribution and a pronounced daily variation. Sensitivity studies comparing different emission scenarios reveal a strong dependency to the emission time and location of both transport and response in chemical formation of subsequent products. The introduction of a pronounced daily variation leads to a 30% higher ozone production in comparison to uniformly distributed emissions. (author) 9 refs.

  17. On the influence of temporal and spatial resolution of aircraft emission inventories for mesoscale modeling of pollutant dispersion

    Franzkowiak, V; Petry, H; Ebel, A [Cologne Univ. (Germany). Inst. for Geophysics and Meteorology

    1998-12-31

    The sensitivity of a mesoscale chemistry transport model to the temporal and spatial resolution of aircraft emission inventories is evaluated. A statistical analysis of air traffic in the North-Atlantic flight corridor is carried out showing a highly variable, fine structured spatial distribution and a pronounced daily variation. Sensitivity studies comparing different emission scenarios reveal a strong dependency to the emission time and location of both transport and response in chemical formation of subsequent products. The introduction of a pronounced daily variation leads to a 30% higher ozone production in comparison to uniformly distributed emissions. (author) 9 refs.

  18. Impact of aircraft exhaust on the atmosphere. Box model studies and 3-D mesoscale numerical case studies of seasonal differences

    Petry, H; Ebel, A; Franzkowiak, V; Hendricks, J; Lippert, E; Moellhoff, M [Koeln Univ. (Germany). Inst. fuer Geophysik und Meteorologie

    1998-12-31

    The impact of aircraft emissions released in the tropopause region on atmospheric trace gases as O{sub 3} or HNO{sub 3} is investigated by means of model studies. Special emphasis is drawn on seasonal effects. A box model is applied as well as a 3-D mesoscale chemistry transport model. These model studies show that the impact of aircraft emissions on ozone in the tropopause region is much stronger in summer than in late autumn with a difference of one order of magnitude. (author) 14 refs.

  19. Impact of aircraft exhaust on the atmosphere. Box model studies and 3-D mesoscale numerical case studies of seasonal differences

    Petry, H.; Ebel, A.; Franzkowiak, V.; Hendricks, J.; Lippert, E.; Moellhoff, M. [Koeln Univ. (Germany). Inst. fuer Geophysik und Meteorologie

    1997-12-31

    The impact of aircraft emissions released in the tropopause region on atmospheric trace gases as O{sub 3} or HNO{sub 3} is investigated by means of model studies. Special emphasis is drawn on seasonal effects. A box model is applied as well as a 3-D mesoscale chemistry transport model. These model studies show that the impact of aircraft emissions on ozone in the tropopause region is much stronger in summer than in late autumn with a difference of one order of magnitude. (author) 14 refs.

  20. The effect of high non-hydrostatic pressure on III-V semiconductors: zinc blende to wurtzite structural phase transition and multiphase generation

    Pizani, P S; Jasinevicius, R G

    2014-01-01

    Raman scattering was employed to study structural phase transitions of InSb, GaSb and GaAs induced by highly non-hydrostatic pressures applied by mechanical impact, in which high compression/decompression rates are imposed to the sample. The results showed that is possible to produce several structural phases localized in different micrometric regions of the same sample: the zinc blende to possibly wurtzite structural phase transition and the generation of a multiphase state.

  1. Chemistry Notes

    School Science Review, 1976

    1976-01-01

    Described are eight chemistry experiments and demonstrations applicable to introductory chemistry courses. Activities include: measure of lattice enthalpy, Le Chatelier's principle, decarboxylation of soap, use of pocket calculators in pH measurement, and making nylon. (SL)

  2. Chemistry Dashboard

    The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. The Chemistry Dashboard provides access to a variety of information on over 700,000 chemicals currently in use.

  3. Combinatorial chemistry

    Nielsen, John

    1994-01-01

    An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds.......An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds....

  4. Aquatic Chemistry

    Kim, Dong Yeun; Kim, Oh Sik; Kim, Chang Guk; Park, Cheong Gil; Lee, Gwi Hyeon; Lee, Cheol Hui

    1987-07-01

    This book deals aquatic chemistry, which treats water and environment, chemical kinetics, chemical balance like dynamical characteristic, and thermodynamics, acid-base chemistry such as summary, definition, kinetics, and PH design for mixture of acid-base chemistry, complex chemistry with definition, and kinetics, precipitation and dissolution on summary, kinetics of precipitation and dissolution, and balance design oxidation and resolution with summary, balance of oxidation and resolution.

  5. Positronium chemistry

    Green, James

    1964-01-01

    Positronium Chemistry focuses on the methodologies, reactions, processes, and transformations involved in positronium chemistry. The publication first offers information on positrons and positronium and experimental methods, including mesonic atoms, angular correlation measurements, annihilation spectra, and statistical errors in delayed coincidence measurements. The text then ponders on positrons in gases and solids. The manuscript takes a look at the theoretical chemistry of positronium and positronium chemistry in gases. Topics include quenching, annihilation spectrum, delayed coincidence

  6. Non-hydrostatic behavior of KBr as a pressure medium in diamond anvil cells up to 5.63 GPa

    Zhao, Jing; Ross, Nancy L

    2015-01-01

    Non-hydrostatic stresses of KBr acting as a pressure–transmitting medium have been investigated by examining their effect on a single crystal of quartz in a diamond anvil cell (DAC). The lattice strains or distortions were measured by single-crystal x-ray diffraction methods, and the non-hydrostatic deviatoric stresses for KBr were determined up to 5.63(2) GPa. The experimental results show that differences between axial stress components in the direction normal to the DAC culet face and the radial stress components in directions parallel to the DAC culet face are about 0.063(24) GPa at pressures below 2.14 GPa, and the pressure-transmitting medium can therefore be considered as quasi-hydrostatic up to this pressure. However above 2.14 GPa, after the phase transition pressure of KBr during which it converts from the B1 phase to the B2 phase, the deviatoric stresses constantly increase with increasing pressure. At the maximum pressure of this study, 5.63(2) GPa, the difference between axial stress and radial stress components reaches 0.93(9) GPa. Different variations in the non-hydrostatic deviatoric stresses were observed during both compression and decompression of the DAC, and are mainly ascribed to the phase-transition-induced volume change of KBr. (paper)

  7. Multi-protein assemblies underlie the mesoscale organization of the plasma membrane

    Saka, Sinem K.; Honigmann, Alf; Eggeling, Christian; Hell, Stefan W.; Lang, Thorsten; Rizzoli, Silvio O.

    2014-01-01

    Most proteins have uneven distributions in the plasma membrane. Broadly speaking, this may be caused by mechanisms specific to each protein, or may be a consequence of a general pattern that affects the distribution of all membrane proteins. The latter hypothesis has been difficult to test in the past. Here, we introduce several approaches based on click chemistry, through which we study the distribution of membrane proteins in living cells, as well as in membrane sheets. We found that the plasma membrane proteins form multi-protein assemblies that are long lived (minutes), and in which protein diffusion is restricted. The formation of the assemblies is dependent on cholesterol. They are separated and anchored by the actin cytoskeleton. Specific proteins are preferentially located in different regions of the assemblies, from their cores to their edges. We conclude that the assemblies constitute a basic mesoscale feature of the membrane, which affects the patterning of most membrane proteins, and possibly also their activity. PMID:25060237

  8. Forensic Chemistry

    Bell, Suzanne

    2009-07-01

    Forensic chemistry is unique among chemical sciences in that its research, practice, and presentation must meet the needs of both the scientific and the legal communities. As such, forensic chemistry research is applied and derivative by nature and design, and it emphasizes metrology (the science of measurement) and validation. Forensic chemistry has moved away from its analytical roots and is incorporating a broader spectrum of chemical sciences. Existing forensic practices are being revisited as the purview of forensic chemistry extends outward from drug analysis and toxicology into such diverse areas as combustion chemistry, materials science, and pattern evidence.

  9. Mesoscale inversion of carbon sources and sinks

    Lauvaux, T.

    2008-01-01

    Inverse methods at large scales are used to infer the spatial variability of carbon sources and sinks over the continents but their uncertainties remain large. Atmospheric concentrations integrate the surface flux variability but atmospheric transport models at low resolution are not able to simulate properly the local atmospheric dynamics at the measurement sites. However, the inverse estimates are more representative of the large spatial heterogeneity of the ecosystems compared to direct flux measurements. Top-down and bottom-up methods that aim at quantifying the carbon exchanges between the surface and the atmosphere correspond to different scales and are not easily comparable. During this phD, a mesoscale inverse system was developed to correct carbon fluxes at 8 km resolution. The high resolution transport model MesoNH was used to simulate accurately the variability of the atmospheric concentrations, which allowed us to reduce the uncertainty of the retrieved fluxes. All the measurements used here were observed during the intensive regional campaign CERES of May and June 2005, during which several instrumented towers measured CO 2 concentrations and fluxes in the South West of France. Airborne measurements allowed us to observe concentrations at high altitude but also CO 2 surface fluxes over large parts of the domain. First, the capacity of the inverse system to correct the CO 2 fluxes was estimated using pseudo-data experiments. The largest fraction of the concentration variability was attributed to regional surface fluxes over an area of about 300 km around the site locations depending on the meteorological conditions. Second, an ensemble of simulations allowed us to define the spatial and temporal structures of the transport errors. Finally, the inverse fluxes at 8 km resolution were compared to direct flux measurements. The inverse system has been validated in space and time and showed an improvement of the first guess fluxes from a vegetation model

  10. Vertical Transport by Coastal Mesoscale Convective Systems

    Lombardo, K.; Kading, T.

    2016-12-01

    This work is part of an ongoing investigation of coastal mesoscale convective systems (MCSs), including changes in vertical transport of boundary layer air by storms moving from inland to offshore. The density of a storm's cold pool versus that of the offshore marine atmospheric boundary layer (MABL), in part, determines the ability of the storm to successfully cross the coast, the mechanism driving storm propagation, and the ability of the storm to lift air from the boundary layer aloft. The ability of an MCS to overturn boundary layer air can be especially important over the eastern US seaboard, where warm season coastal MCSs are relatively common and where large coastal population centers generate concentrated regions of pollution. Recent work numerically simulating idealized MCSs in a coastal environment has provided some insight into the physical mechanisms governing MCS coastal crossing success and the impact on vertical transport of boundary layer air. Storms are simulated using a cloud resolving model initialized with atmospheric conditions representative of a Mid-Atlantic environment. Simulations are run in 2-D at 250 m horizontal resolution with a vertical resolution stretched from 100 m in the boundary layer to 250 m aloft. The left half of the 800 km domain is configured to represent land, while the right half is assigned as water. Sensitivity experiments are conducted to quantify the influence of varying MABL structure on MCS coastal crossing success and air transport, with MABL values representative of those observed over the western Mid-Atlantic during warm season. Preliminary results indicate that when the density of the cold pool is much greater than the MABL, the storm successfully crosses the coastline, with lifting of surface parcels, which ascend through the troposphere. When the density of the cold pool is similar to that of the MABL, parcels within the MABL remain at low levels, though parcels above the MABL ascend through the troposphere.

  11. Development and analysis of prognostic equations for mesoscale kinetic energy and mesoscale (subgrid scale) fluxes for large-scale atmospheric models

    Avissar, Roni; Chen, Fei

    1993-01-01

    Generated by landscape discontinuities (e.g., sea breezes) mesoscale circulation processes are not represented in large-scale atmospheric models (e.g., general circulation models), which have an inappropiate grid-scale resolution. With the assumption that atmospheric variables can be separated into large scale, mesoscale, and turbulent scale, a set of prognostic equations applicable in large-scale atmospheric models for momentum, temperature, moisture, and any other gaseous or aerosol material, which includes both mesoscale and turbulent fluxes is developed. Prognostic equations are also developed for these mesoscale fluxes, which indicate a closure problem and, therefore, require a parameterization. For this purpose, the mean mesoscale kinetic energy (MKE) per unit of mass is used, defined as E-tilde = 0.5 (the mean value of u'(sub i exp 2), where u'(sub i) represents the three Cartesian components of a mesoscale circulation (the angle bracket symbol is the grid-scale, horizontal averaging operator in the large-scale model, and a tilde indicates a corresponding large-scale mean value). A prognostic equation is developed for E-tilde, and an analysis of the different terms of this equation indicates that the mesoscale vertical heat flux, the mesoscale pressure correlation, and the interaction between turbulence and mesoscale perturbations are the major terms that affect the time tendency of E-tilde. A-state-of-the-art mesoscale atmospheric model is used to investigate the relationship between MKE, landscape discontinuities (as characterized by the spatial distribution of heat fluxes at the earth's surface), and mesoscale sensible and latent heat fluxes in the atmosphere. MKE is compared with turbulence kinetic energy to illustrate the importance of mesoscale processes as compared to turbulent processes. This analysis emphasizes the potential use of MKE to bridge between landscape discontinuities and mesoscale fluxes and, therefore, to parameterize mesoscale fluxes

  12. Analysis of the environments of seven Mediterranean tropical-like storms using an axisymmetric, nonhydrostatic, cloud resolving model

    L. Fita

    2007-01-01

    Full Text Available Tropical-like storms on the Mediterranean Sea are occasionally observed on satellite images, often with a clear eye surrounded by an axysimmetric cloud structure. These storms sometimes attain hurricane intensity and can severely affect coastal lands. A deep, cut-off, cold-core low is usually observed at mid-upper tropospheric levels in association with the development of these tropical-like systems. In this study we attempt to apply some tools previously used in studies of tropical hurricanes to characterise the environments in which seven known Mediterranean events developed. In particular, an axisymmetric, nonhydrostatic, cloud resolving model is applied to simulate the tropical-like storm genesis and evolution. Results are compared to surface observations when landfall occurred and with satellite microwave derived wind speed measurements over the sea. Finally, sensitivities of the numerical simulations to different factors (e.g. sea surface temperature, vertical humidity profile and size of the initial precursor of the storm are examined.

  13. Mesoscale modeling of solute precipitation and radiation damage

    Zhang, Yongfeng [Idaho National Lab. (INL), Idaho Falls, ID (United States); Schwen, Daniel [Idaho National Lab. (INL), Idaho Falls, ID (United States); Ke, Huibin [Idaho National Lab. (INL), Idaho Falls, ID (United States); Univ. of Wisconsin, Madison, WI (United States); Bai, Xianming [Idaho National Lab. (INL), Idaho Falls, ID (United States); Hales, Jason [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-09-01

    This report summarizes the low length scale effort during FY 2014 in developing mesoscale capabilities for microstructure evolution in reactor pressure vessels. During operation, reactor pressure vessels are subject to hardening and embrittlement caused by irradiation-induced defect accumulation and irradiation-enhanced solute precipitation. Both defect production and solute precipitation start from the atomic scale, and manifest their eventual effects as degradation in engineering-scale properties. To predict the property degradation, multiscale modeling and simulation are needed to deal with the microstructure evolution, and to link the microstructure feature to material properties. In this report, the development of mesoscale capabilities for defect accumulation and solute precipitation are summarized. Atomic-scale efforts that supply information for the mesoscale capabilities are also included.

  14. Low-level wind response to mesoscale pressure systems

    Garratt, J. R.; Physick, W. L.

    1983-09-01

    Observations are presented which show a strong correlation between low-level wind behaviour (e.g., rotation near the surface) and the passage of mesoscale pressure systems. The latter are associated with frontal transition zones, are dominated by a pressure-jump line and a mesoscale high pressure area, and produce locally large horizontal pressure gradients. The wind observations are simulated by specifying a time sequence of perturbation pressure gradient and subsequently solving the vertically-integrated momentum equations with appropriate initial conditions. Very good agreement is found between observed and calculated winds; in particular, (i) a 360 ° rotation in wind on passage of the mesoscale high; (ii) wind-shift lines produced dynamically by the pressure-jump line; (iii) rapid linear increase in wind speed on passage of the pressure jump.

  15. On Improving 4-km Mesoscale Model Simulations

    Deng, Aijun; Stauffer, David R.

    2006-03-01

    A previous study showed that use of analysis-nudging four-dimensional data assimilation (FDDA) and improved physics in the fifth-generation Pennsylvania State University National Center for Atmospheric Research Mesoscale Model (MM5) produced the best overall performance on a 12-km-domain simulation, based on the 18 19 September 1983 Cross-Appalachian Tracer Experiment (CAPTEX) case. However, reducing the simulated grid length to 4 km had detrimental effects. The primary cause was likely the explicit representation of convection accompanying a cold-frontal system. Because no convective parameterization scheme (CPS) was used, the convective updrafts were forced on coarser-than-realistic scales, and the rainfall and the atmospheric response to the convection were too strong. The evaporative cooling and downdrafts were too vigorous, causing widespread disruption of the low-level winds and spurious advection of the simulated tracer. In this study, a series of experiments was designed to address this general problem involving 4-km model precipitation and gridpoint storms and associated model sensitivities to the use of FDDA, planetary boundary layer (PBL) turbulence physics, grid-explicit microphysics, a CPS, and enhanced horizontal diffusion. Some of the conclusions include the following: 1) Enhanced parameterized vertical mixing in the turbulent kinetic energy (TKE) turbulence scheme has shown marked improvements in the simulated fields. 2) Use of a CPS on the 4-km grid improved the precipitation and low-level wind results. 3) Use of the Hong and Pan Medium-Range Forecast PBL scheme showed larger model errors within the PBL and a clear tendency to predict much deeper PBL heights than the TKE scheme. 4) Combining observation-nudging FDDA with a CPS produced the best overall simulations. 5) Finer horizontal resolution does not always produce better simulations, especially in convectively unstable environments, and a new CPS suitable for 4-km resolution is needed. 6

  16. Multiscale Modeling of Mesoscale and Interfacial Phenomena

    Petsev, Nikolai Dimitrov

    With rapidly emerging technologies that feature interfaces modified at the nanoscale, traditional macroscopic models are pushed to their limits to explain phenomena where molecular processes can play a key role. Often, such problems appear to defy explanation when treated with coarse-grained continuum models alone, yet remain prohibitively expensive from a molecular simulation perspective. A prominent example is surface nanobubbles: nanoscopic gaseous domains typically found on hydrophobic surfaces that have puzzled researchers for over two decades due to their unusually long lifetimes. We show how an entirely macroscopic, non-equilibrium model explains many of their anomalous properties, including their stability and abnormally small gas-side contact angles. From this purely transport perspective, we investigate how factors such as temperature and saturation affect nanobubbles, providing numerous experimentally testable predictions. However, recent work also emphasizes the relevance of molecular-scale phenomena that cannot be described in terms of bulk phases or pristine interfaces. This is true for nanobubbles as well, whose nanoscale heights may require molecular detail to capture the relevant physics, in particular near the bubble three-phase contact line. Therefore, there is a clear need for general ways to link molecular granularity and behavior with large-scale continuum models in the treatment of many interfacial problems. In light of this, we have developed a general set of simulation strategies that couple mesoscale particle-based continuum models to molecular regions simulated through conventional molecular dynamics (MD). In addition, we derived a transport model for binary mixtures that opens the possibility for a wide range of applications in biological and drug delivery problems, and is readily reconciled with our hybrid MD-continuum techniques. Approaches that couple multiple length scales for fluid mixtures are largely absent in the literature, and

  17. New Mesoscale Fluvial Landscapes - Seismic Geomorphology and Exploration

    Wilkinson, M. J.

    2013-01-01

    Megafans (100-600 km radius) are very large alluvial fans that cover significant areas on most continents, the surprising finding of recent global surveys. The number of such fans and patterns of sedimentation on them provides new mesoscale architectures that can now be applied on continental fluvial depositional systems, and therefore on. Megafan-scale reconstructions underground as yet have not been attempted. Seismic surveys offer new possibilities in identifying the following prospective situations at potentially unsuspected locations: (i) sand concentrations points, (ii) sand-mud continuums at the mesoscale, (iii) paleo-valley forms in these generally unvalleyed landscapes, (iv) stratigraphic traps, and (v) structural traps.

  18. Organic chemistry

    2003-08-01

    This book with sixteen chapter explains organic chemistry on linkage isomerism such as alkane, cycloalkane, alkene, aromatic compounds, stereo selective isomerization, aromatic compounds, stereo selective isomerization, organic compounds, stereo selective isomerization, organic halogen compound, alcohol, ether, aldehyde and ketone, carboxylic acid, dicarboxylic acid, fat and detergent, amino, carbohydrate, amino acid and protein, nucleotide and nucleic acid and spectroscopy, a polymer and medical chemistry. Each chapter has introduction structure and characteristic and using of organic chemistry.

  19. Radiation chemistry

    None

    1973-07-01

    Research progress is reported on radiation chemistry of heavy elements that includes the following topics: radiation chemistry of plutonium in nitric acid solutions (spectrophotometric analysis and gamma radiolysis of Pu(IV) and Pu(VI) in nitric acid solution); EPR studies of intermediates formed in radiolytic reactions with aqueous medium; two-phase radiolysis and its effect on the distribution coefficient of plutonium; and radiation chemistry of nitric acid. (DHM)

  20. Technetium chemistry

    Burns, C.; Bryan, J.; Cotton, F.; Ott, K.; Kubas, G.; Haefner, S.; Barrera, J.; Hall, K.; Burrell, A.

    1996-01-01

    Technetium chemistry is a young and developing field. Despite the limited knowledge of its chemistry, technetium is the workhorse for nuclear medicine. Technetium is also a significant environmental concern because it is formed as a byproduct of nuclear weapons production and fission-power generators. Development of new technetium radio-pharmaceuticals and effective environmental control depends strongly upon knowledge of basic technetium chemistry. The authors performed research into the basic coordination and organometallic chemistry of technetium and used this knowledge to address nuclear medicine and environmental applications. This is the final report of a three-year Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL)

  1. Chemistry Technology

    Federal Laboratory Consortium — Chemistry technology experts at NCATS engage in a variety of innovative translational research activities, including:Design of bioactive small molecules.Development...

  2. Land surface sensitivity of mesoscale convective systems

    Tournay, Robert C.

    Mesoscale convective systems (MCSs) are important contributors to the hydrologic cycle in many regions of the world as well as major sources of severe weather. MCSs continue to challenge forecasters and researchers alike, arising from difficulties in understanding system initiation, propagation, and demise. One distinct type of MCS is that formed from individual convective cells initiated primarily by daytime heating over high terrain. This work is aimed at improving our understanding of the land surface sensitivity of this class of MCS in the contiguous United States. First, a climatology of mesoscale convective systems originating in the Rocky Mountains and adjacent high plains from Wyoming southward to New Mexico is developed through a combination of objective and subjective methods. This class of MCS is most important, in terms of total warm season precipitation, in the 500 to 1300m elevations of the Great Plains (GP) to the east in eastern Colorado to central Nebraska and northwest Kansas. Examining MCSs by longevity, short lasting MCSs (15 hrs) reveals that longer lasting systems tend to form further south and have a longer track with a more southerly track. The environment into which the MCS is moving showed differences across commonly used variables in convection forecasting, with some variables showing more favorable conditions throughout (convective inhibition, 0-6 km shear and 250 hPa wind speed) ahead of longer lasting MCSs. Other variables, such as convective available potential energy, showed improving conditions through time for longer lasting MCSs. Some variables showed no difference across longevity of MCS (precipitable water and large-scale vertical motion). From subsets of this MCS climatology, three regions of origin were chosen based on the presence of ridgelines extending eastward from the Rocky Mountains known to be foci for convection initiation and subsequent MCS formation: Southern Wyoming (Cheyenne Ridge), Colorado (Palmer divide) and

  3. Online coupled regional meteorology chemistry models in Europe : Current status and prospects

    Baklanov, A.; Schlünzen, K.; Suppan, P.; Baldasano, J.; Brunner, D.; Aksoyoglu, S.; Carmichael, G.; Douros, J.; Flemming, J.; Forkel, R.; Galmarini, S.; Gauss, M.; Grell, G.; Hirtl, M.; Joffre, S.; Jorba, O.; Kaas, E.; Kaasik, M.; Kallos, G.; Kong, X.; Korsholm, U.; Kurganskiy, A.; Kushta, J.; Lohmann, U.; Mahura, A.; Manders-Groot, A.; Maurizi, A.; Moussiopoulos, N.; Rao, S.T.; Savage, N.; Seigneur, C.; Sokhi, R.S.; Solazzo, E.; Solomos, S.; Sørensen, B.; Tsegas, G.; Vignati, E.; Vogel, B.; Zhang, Y.

    2014-01-01

    Online coupled mesoscale meteorology atmospheric chemistry models have undergone a rapid evolution in recent years. Although mainly developed by the air quality modelling community, these models are also of interest for numerical weather prediction and regional climate modelling as they can consider

  4. Ensemble flood simulation for a small dam catchment in Japan using 10 and 2 km resolution nonhydrostatic model rainfalls

    Kobayashi, Kenichiro; Otsuka, Shigenori; Apip; Saito, Kazuo

    2016-08-01

    This paper presents a study on short-term ensemble flood forecasting specifically for small dam catchments in Japan. Numerical ensemble simulations of rainfall from the Japan Meteorological Agency nonhydrostatic model (JMA-NHM) are used as the input data to a rainfall-runoff model for predicting river discharge into a dam. The ensemble weather simulations use a conventional 10 km and a high-resolution 2 km spatial resolutions. A distributed rainfall-runoff model is constructed for the Kasahori dam catchment (approx. 70 km2) and applied with the ensemble rainfalls. The results show that the hourly maximum and cumulative catchment-average rainfalls of the 2 km resolution JMA-NHM ensemble simulation are more appropriate than the 10 km resolution rainfalls. All the simulated inflows based on the 2 and 10 km rainfalls become larger than the flood discharge of 140 m3 s-1, a threshold value for flood control. The inflows with the 10 km resolution ensemble rainfall are all considerably smaller than the observations, while at least one simulated discharge out of 11 ensemble members with the 2 km resolution rainfalls reproduces the first peak of the inflow at the Kasahori dam with similar amplitude to observations, although there are spatiotemporal lags between simulation and observation. To take positional lags into account of the ensemble discharge simulation, the rainfall distribution in each ensemble member is shifted so that the catchment-averaged cumulative rainfall of the Kasahori dam maximizes. The runoff simulation with the position-shifted rainfalls shows much better results than the original ensemble discharge simulations.

  5. Current organic chemistry

    1997-01-01

    Provides in depth reviews on current progress in the fields of asymmetric synthesis, organometallic chemistry, bioorganic chemistry, heterocyclic chemistry, natural product chemistry, and analytical...

  6. Skills of different mesoscale models over Indian region during ...

    tion and prediction of high impact severe weather systems. Such models ... mesoscale models can be run at cloud resolving resolutions (∼1km) ... J. Earth Syst. Sci. 117, No. ..... similar to climate drift, indicating that those error components are ...

  7. Mesoscale meteorological model based on radioactive explosion cloud simulation

    Zheng Yi; Zhang Yan; Ying Chuntong

    2008-01-01

    In order to simulate nuclear explosion and dirty bomb radioactive cloud movement and concentration distribution, mesoscale meteorological model RAMS was used. Particles-size, size-active distribution and gravitational fallout in the cloud were considered. The results show that the model can simulate the 'mushroom' clouds of explosion. Three-dimension fluid field and radioactive concentration field were received. (authors)

  8. Role of land state in a high resolution mesoscale model

    ... Proceedings – Mathematical Sciences · Resonance – Journal of Science ... Land surface characteristics; high resolution mesoscale model; Uttarakhand ... to predict realistic location, timing, amount,intensity and distribution of rainfall ... region embedded within two low pressure centers over Arabian Seaand Bay of Bengal.

  9. Modeling Air-Quality in Complex Terrain Using Mesoscale and ...

    Air-quality in a complex terrain (Colorado-River-Valley/Grand-Canyon Area, Southwest U.S.) is modeled using a higher-order closure mesoscale model and a higher-order closure dispersion model. Non-reactive tracers have been released in the Colorado-River valley, during winter and summer 1992, to study the ...

  10. Mesoscale characterization of local property distributions in heterogeneous electrodes

    Hsu, Tim; Epting, William K.; Mahbub, Rubayyat; Nuhfer, Noel T.; Bhattacharya, Sudip; Lei, Yinkai; Miller, Herbert M.; Ohodnicki, Paul R.; Gerdes, Kirk R.; Abernathy, Harry W.; Hackett, Gregory A.; Rollett, Anthony D.; De Graef, Marc; Litster, Shawn; Salvador, Paul A.

    2018-05-01

    The performance of electrochemical devices depends on the three-dimensional (3D) distributions of microstructural features in their electrodes. Several mature methods exist to characterize 3D microstructures over the microscale (tens of microns), which are useful in understanding homogeneous electrodes. However, methods that capture mesoscale (hundreds of microns) volumes at appropriate resolution (tens of nm) are lacking, though they are needed to understand more common, less ideal electrodes. Using serial sectioning with a Xe plasma focused ion beam combined with scanning electron microscopy (Xe PFIB-SEM), two commercial solid oxide fuel cell (SOFC) electrodes are reconstructed over volumes of 126 × 73 × 12.5 and 124 × 110 × 8 μm3 with a resolution on the order of ≈ 503 nm3. The mesoscale distributions of microscale structural features are quantified and both microscale and mesoscale inhomogeneities are found. We analyze the origin of inhomogeneity over different length scales by comparing experimental and synthetic microstructures, generated with different particle size distributions, with such synthetic microstructures capturing well the high-frequency heterogeneity. Effective medium theory models indicate that significant mesoscale variations in local electrochemical activity are expected throughout such electrodes. These methods offer improved understanding of the performance of complex electrodes in energy conversion devices.

  11. Onset of meso-scale turbulence in active nematics

    Doostmohammadi, A.; Shendruk, T.N.; Thijssen, K.; Yeomans, J.M.

    2017-01-01

    Meso-scale turbulence is an innate phenomenon, distinct from inertial turbulence, that spontaneously occurs at low Reynolds number in fluidized biological systems. This spatiotemporal disordered flow radically changes nutrient and molecular transport in living fluids and can strongly affect the

  12. Calculation of extreme wind atlases using mesoscale modeling. Final report

    Larsén, Xiaoli Guo; Badger, Jake

    This is the final report of the project PSO-10240 "Calculation of extreme wind atlases using mesoscale modeling". The overall objective is to improve the estimation of extreme winds by developing and applying new methodologies to confront the many weaknesses in the current methodologies as explai...

  13. Nuclear chemistry

    Vertes, A.; Kiss, I.

    1987-01-01

    This book is an introduction to the application of nuclear science in modern chemistry. The first group of chapters discuss the basic phenomena and concepts of nuclear physics with emphasis on their relation to chemical problems, including the main properties and the composition of atomic nuclei, nuclear reactions, radioactive decay and interactions of radiation with matter. These chapters provide the basis for understanding the following chapters which encompass the wide scope of nuclear chemistry. The methods of the investigation of chemical structure based on the interaction of nuclear radiation with matter including positronium chemistry and other exotic atoms is elaborated in particular detail. Separate chapters are devoted to the use of radioactive tracers, the chemical consequences of nuclear processes (i.e. hot atom chemistry), radiation chemistry, isotope effects and their applications, and the operation of nuclear reactors

  14. Nuclear chemistry

    Vertes, A.; Kiss, I.

    1987-01-01

    This book is an introduction to the application of nuclear science in modern chemistry. The first group of chapters discuss the basic phenomena and concepts of nuclear physics with emphasis on their relation to chemical problems, including the main properties and the composition of atomic nuclei, nuclear reactions, radioactive decay and interactions of radiation with matter. These chapters provide the basis for understanding the following chapters which encompass the wide scope of nuclear chemistry. The methods of the investigation of chemical structure based on the interaction of nuclear radiation with matter including positronium chemistry and other exotic atoms is elaborated in particular detail. Separate chapters are devoted to the use of radioactive tracers, the chemical consequences of nuclear processes (i.e. hot atom chemistry), radiation chemistry, isotope effects and their applications, and the operation of nuclear reactors. (Auth.)

  15. Quantum chemistry

    Lowe, John P

    1993-01-01

    Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom,

  16. Materials Chemistry

    Fahlman, Bradley D

    2011-01-01

    The 2nd edition of Materials Chemistry builds on the strengths that were recognized by a 2008 Textbook Excellence Award from the Text and Academic Authors Association (TAA). Materials Chemistry addresses inorganic-, organic-, and nano-based materials from a structure vs. property treatment, providing a suitable breadth and depth coverage of the rapidly evolving materials field. The 2nd edition continues to offer innovative coverage and practical perspective throughout. After briefly defining materials chemistry and its history, seven chapters discuss solid-state chemistry, metals, semiconducting materials, organic "soft" materials, nanomaterials, and materials characterization. All chapters have been thoroughly updated and expanded with, for example, new sections on ‘soft lithographic’ patterning, ‘click chemistry’ polymerization, nanotoxicity, graphene, as well as many biomaterials applications. The polymer and ‘soft’ materials chapter represents the largest expansion for the 2nd edition. Each ch...

  17. Analytical chemistry

    Choi, Jae Seong

    1993-02-15

    This book is comprised of nineteen chapters, which describes introduction of analytical chemistry, experimental error and statistics, chemistry equilibrium and solubility, gravimetric analysis with mechanism of precipitation, range and calculation of the result, volume analysis on general principle, sedimentation method on types and titration curve, acid base balance, acid base titration curve, complex and firing reaction, introduction of chemical electro analysis, acid-base titration curve, electrode and potentiometry, electrolysis and conductometry, voltammetry and polarographic spectrophotometry, atomic spectrometry, solvent extraction, chromatograph and experiments.

  18. Analytical chemistry

    Choi, Jae Seong

    1993-02-01

    This book is comprised of nineteen chapters, which describes introduction of analytical chemistry, experimental error and statistics, chemistry equilibrium and solubility, gravimetric analysis with mechanism of precipitation, range and calculation of the result, volume analysis on general principle, sedimentation method on types and titration curve, acid base balance, acid base titration curve, complex and firing reaction, introduction of chemical electro analysis, acid-base titration curve, electrode and potentiometry, electrolysis and conductometry, voltammetry and polarographic spectrophotometry, atomic spectrometry, solvent extraction, chromatograph and experiments.

  19. Analytical chemistry

    Chae, Myeong Hu; Lee, Hu Jun; Kim, Ha Seok

    1989-02-15

    This book give explanations on analytical chemistry with ten chapters, which deal with development of analytical chemistry, the theory of error with definition and classification, sample and treatment gravimetry on general process of gravimetry in aqueous solution and non-aqueous solution, precipitation titration about precipitation reaction and types, complexometry with summary and complex compound, oxidation-reduction equilibrium on electrode potential and potentiometric titration, solvent extraction and chromatograph and experiment with basic operation for chemical experiment.

  20. Analytical chemistry

    Chae, Myeong Hu; Lee, Hu Jun; Kim, Ha Seok

    1989-02-01

    This book give explanations on analytical chemistry with ten chapters, which deal with development of analytical chemistry, the theory of error with definition and classification, sample and treatment gravimetry on general process of gravimetry in aqueous solution and non-aqueous solution, precipitation titration about precipitation reaction and types, complexometry with summary and complex compound, oxidation-reduction equilibrium on electrode potential and potentiometric titration, solvent extraction and chromatograph and experiment with basic operation for chemical experiment.

  1. Green Chemistry

    Collison, Melanie

    2011-05-15

    Green chemistry is the science of chemistry used in a way that will not use or create hazardous substances. Dr. Rui Resendes is working in this field at GreenCentre Canada, an offshoot of PARTEQ Innovations in Kingston, Ontario. GreenCentre's preliminary findings suggest their licensed product {sup S}witchable Solutions{sup ,} featuring 3 classes of solvents and a surfactant, may be useful in bitumen oil sands extraction.

  2. Micro- and meso-scale effects of forested terrain

    Dellwik, Ebba; Mann, Jakob; Sogachev, Andrey

    2011-01-01

    scales are the height of the planetary boundary layer and the Monin-Obukhov length, which both are related to the energy balance of the surface. Examples of important micro- and meso-scale effects of forested terrain are shown using data and model results from recent and ongoing experiments. For micro......The height and rotor diameter of modern wind turbines are so extensive, that the wind conditions they encounter often are well above the surface layer, where traditionally it is assumed that wind direction and turbulent fluxes are constant with respect to height, if the surface is homogenous....... Deviations from the requirement of homogeneity are often the focus of micro-scale studies in forested areas. Yet, to explain the wind climate in the relevant height range for turbines, it is necessary to also account for the length scales that are important parameters for the meso-scale flow. These length...

  3. Spectral structure of mesoscale winds over the water

    Larsén, Xiaoli Guo; Vincent, Claire Louise; Larsen, Søren Ejling

    2013-01-01

    to describe the spectral slope transition as well as the limit for application of the Taylor hypothesis. The stability parameter calculated from point measurements, the bulk Richardson number, is found insufficient to represent the various atmospheric structures that have their own spectral behaviours under...... spectra show universal characteristics, in agreement with the findings in literature, including the energy amplitude and the −5/3 spectral slope in the mesoscale range transitioning to a slope of −3 for synoptic and planetary scales. The integral time-scale of the local weather is found to be useful...... different stability conditions, such as open cells and gravity waves. For stationary conditions, the mesoscale turbulence is found to bear some characteristics of two-dimensional isotropy, including (1) very minor vertical variation of spectra; (2) similar spectral behaviour for the along- and across...

  4. Assessment of MARMOT. A Mesoscale Fuel Performance Code

    Tonks, M. R. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Schwen, D. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Zhang, Y. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Chakraborty, P. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Bai, X. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Fromm, B. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Yu, J. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Teague, M. C. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Andersson, D. A. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-04-01

    MARMOT is the mesoscale fuel performance code under development as part of the US DOE Nuclear Energy Advanced Modeling and Simulation Program. In this report, we provide a high level summary of MARMOT, its capabilities, and its current state of validation. The purpose of MARMOT is to predict the coevolution of microstructure and material properties of nuclear fuel and cladding. It accomplished this using the phase field method coupled to solid mechanics and heat conduction. MARMOT is based on the Multiphysics Object-Oriented Simulation Environment (MOOSE), and much of its basic capability in the areas of the phase field method, mechanics, and heat conduction come directly from MOOSE modules. However, additional capability specific to fuel and cladding is available in MARMOT. While some validation of MARMOT has been completed in the areas of fission gas behavior and grain growth, much more validation needs to be conducted. However, new mesoscale data needs to be obtained in order to complete this validation.

  5. Mesoscale modeling: solving complex flows in biology and biotechnology.

    Mills, Zachary Grant; Mao, Wenbin; Alexeev, Alexander

    2013-07-01

    Fluids are involved in practically all physiological activities of living organisms. However, biological and biorelated flows are hard to analyze due to the inherent combination of interdependent effects and processes that occur on a multitude of spatial and temporal scales. Recent advances in mesoscale simulations enable researchers to tackle problems that are central for the understanding of such flows. Furthermore, computational modeling effectively facilitates the development of novel therapeutic approaches. Among other methods, dissipative particle dynamics and the lattice Boltzmann method have become increasingly popular during recent years due to their ability to solve a large variety of problems. In this review, we discuss recent applications of these mesoscale methods to several fluid-related problems in medicine, bioengineering, and biotechnology. Copyright © 2013 Elsevier Ltd. All rights reserved.

  6. Maps of mesoscale wind variability over the North Sea region

    Vincent, Claire Louise; Hahmann, Andrea N.; Badger, Jake

    Mesoscale wind fluctuations affect the operation of wind farms, particularly as the number of geographically concentrated wind farms in the North Sea increases (Akhmatov et al. 2007). The frequency and intensity of wind fluctuations could be considered as a new siting criterion, together with exi...... for a 1 year period. The model was run with a horizontal grid spacing of 2 km. The variability maps are created by integrating the average 24 hour spectra at every grid point over different time-scales....

  7. Mesoscale modeling of metal-loaded high explosives

    Bdzil, John Bohdan [Los Alamos National Laboratory; Lieberthal, Brandon [UNIV OF ILLINOIS; Srewart, Donald S [UNIV OF ILLINOIS

    2010-01-01

    We describe a 3D approach to modeling multi-phase blast explosive, which is primarily condensed explosive by volume with inert embedded particles. These embedded particles are uniform in size and placed on the array of a regular lattice. The asymptotic theory of detonation shock dynamics governs the detonation shock propagation in the explosive. Mesoscale hydrodynamic simulations are used to show how the particles are compressed, deformed, and accelerated by the high-speed detonation products flow.

  8. Mesoscale Frontogenesis: An Analysis of Two Cold Front Case Studies

    1993-01-01

    marked the boundary of warm air or the "warm sector". Further development of this cyclone model by Bjerknes and Solberg (1922) and Bergeron (1928) provided...represent 25 mn s -1 Relative humidity of greater than 80% indicated by the shaded region in gray. Frontal zones marked with solid black lines. 24 two... Zuckerberg , J.T. Schaefer, and G.E. Rasch, 1986: Forecast problems: The meteorological and operational factors, In: Mesoscale Meteorology and Forecasting

  9. Lost mold-rapid infiltration forming: Strength control in mesoscale 3Y-TZP ceramics

    Antolino, Nicholas E.

    The strength of nanoparticulate enabled microdevices and components is directly related to the interfacial control between particles and the flaws introduced as these particles come together to form the device or component. One new application for micro-scale or meso-scale (10's microm to 100's microm) devices is surgical instruments designed to enter the body, perform a host of surgeries within the body cavity, and be extracted with no external incisions to the patient. This new concept in surgery, called natural orifice transluminal endoscopic surgery (NOTES), requires smaller and more functional surgical tools. Conventional processing routes do not exist for making these instruments with the desired size, topology, precision, and strength. A process, called lost mold-rapid infiltration forming (LM-RIF), was developed to satisfy this need. A tetragonally stabilized zirconia polycrystalline material (3Y-TZP) is a candidate material for this process and application because of its high strength, chemical stability, high elastic modulus, and reasonably high toughness for a ceramic. Modern technical ceramics, like Y-TZP, are predicated on dense, fine grained microstructures and functional mesoscale devices must also adhere to this standard. Colloid and interfacial chemistry was used to disperse and concentrate the Y-TZP nanoparticles through a very steep, yet localized, potential energy barrier against the van der Waals attractive force. The interparticle interaction energies were modeled and compared to rheological data on the suspension. At high concentrations, the suspension was pseudoplastic, which is evidence that a structure was formed within the suspension that could be disrupted by a shearing force. The LM-RIF process exploits this rheological behavior to fill mold cavities created by photolithography. The premise of the LM-RIF process is to process the particulate material into a dense ceramic body while the unsintered mesoscale parts are supported en masse

  10. Explicit simulation of a midlatitude Mesoscale Convective System

    Alexander, G.D.; Cotton, W.R. [Colorado State Univ., Fort Collins, CO (United States)

    1996-04-01

    We have explicitly simulated the mesoscale convective system (MCS) observed on 23-24 June 1985 during PRE-STORM, the Preliminary Regional Experiment for the Stormscale Operational and Research and Meterology Program. Stensrud and Maddox (1988), Johnson and Bartels (1992), and Bernstein and Johnson (1994) are among the researchers who have investigated various aspects of this MCS event. We have performed this MCS simulation (and a similar one of a tropical MCS; Alexander and Cotton 1994) in the spirit of the Global Energy and Water Cycle Experiment Cloud Systems Study (GCSS), in which cloud-resolving models are used to assist in the formulation and testing of cloud parameterization schemes for larger-scale models. In this paper, we describe (1) the nature of our 23-24 June MCS dimulation and (2) our efforts to date in using our explicit MCS simulations to assist in the development of a GCM parameterization for mesoscale flow branches. The paper is organized as follows. First, we discuss the synoptic situation surrounding the 23-24 June PRE-STORM MCS followed by a discussion of the model setup and results of our simulation. We then discuss the use of our MCS simulation. We then discuss the use of our MCS simulations in developing a GCM parameterization for mesoscale flow branches and summarize our results.

  11. Mesoscale cyclogenesis over the western north Pacific Ocean during TPARC

    Christopher A. Davis

    2013-01-01

    Full Text Available Three cases of mesoscale marine cyclogenesis over the subtropics of the Western Pacific Ocean are investigated. Each case occurred during the THORPEX Pacific Asia Regional Campaign and Tropical Cyclone Structure (TCS-08 field phases in 2008. Each cyclone developed from remnants of disturbances that earlier showed potential for tropical cyclogenesis within the tropics. Two of the cyclones produced gale-force surface winds, and one, designated as a tropical cyclone, resulted in a significant coastal storm over eastern Japan. Development was initiated by a burst of organized mesoscale convection that consolidated and intensified the surface cyclonic circulation over a period of 12–24 h. Upper-tropospheric potential vorticity anomalies modulated the vertical wind shear that, in turn, influenced the periods of cyclone intensification and weakening. Weak baroclinicity associated with vertical shear was also deemed important in organizing mesoscale ascent and the convection outbreaks. The remnant tropical disturbances contributed exceptional water vapour content to higher latitudes that led to strong diabatic heating, and the tropical remnants contributed vorticity that was the seed of the development in the subtropics. Predictability of these events more than three days in advance appears to be minimal.

  12. General chemistry

    Kwon, Yeong Sik; Lee, Dong Seop; Ryu, Haung Ryong; Jang, Cheol Hyeon; Choi, Bong Jong; Choi, Sang Won

    1993-07-01

    The book concentrates on the latest general chemistry, which is divided int twenty-three chapters. It deals with basic conception and stoichiometry, nature of gas, structure of atoms, quantum mechanics, symbol and structure of an electron of ion and molecule, chemical thermodynamics, nature of solid, change of state and liquid, properties of solution, chemical equilibrium, solution and acid-base, equilibrium of aqueous solution, electrochemistry, chemical reaction speed, molecule spectroscopy, hydrogen, oxygen and water, metallic atom; 1A, IIA, IIIA, carbon and atom IVA, nonmetal atom and an inert gas, transition metals, lanthanons, and actinoids, nuclear properties and radioactivity, biochemistry and environment chemistry.

  13. Radiation chemistry

    Swallow, A.J.

    1983-01-01

    The subject is covered in chapters, entitled: introduction (defines scope of article as dealing with the chemistry of reactive species, (e.g. excess electrons, excited states, free radicals and inorganic ions in unusual valency states) as studied using radiation with radiation chemistry in its traditional sense and with biological and industrial applications); gases; water and simple inorganic systems; aqueous metallo-organic compounds and metalloproteins; small organic molecules in aqueous solution; microheterogeneous systems; non-aqueous liquids and solutions; solids; biological macromolecules; synthetic polymers. (U.K.)

  14. Indoor Chemistry

    Weschler, Charles J.; Carslaw, Nicola

    2018-01-01

    This review aims to encapsulate the importance, ubiquity, and complexity of indoor chemistry. We discuss the many sources of indoor air pollutants and summarize their chemical reactions in the air and on surfaces. We also summarize some of the known impacts of human occupants, who act as sources...... and sinks of indoor chemicals, and whose activities (e.g., cooking, cleaning, smoking) can lead to extremely high pollutant concentrations. As we begin to use increasingly sensitive and selective instrumentation indoors, we are learning more about chemistry in this relatively understudied environment....

  15. Contribution of mesoscale eddies to Black Sea ventilation

    Capet, Arthur; Mason, Evan; Pascual, Ananda; Grégoire, Marilaure

    2017-04-01

    The shoaling of the Black Sea oxycline is one of the most urgent environmental issues in the Black Sea. The permanent oxycline derives directly from the Black Sea permanent stratification and has shoaled alarmingly in the last decades, due to a shifting balance between oxygen consumption and ventilation processes (Capet et al. 2016). The understanding of this balance is thus of the utmost importance and requires to quantify 1) the export of nutrients and organic materials from the shelf regions to the open sea and 2) the ventilation processes. These two processes being influenced by mesoscale features, it is critical to understand the role of the semi-permanent mesoscale structures in horizontal (center/periphery) and vertical (diapycnal and isopycnal) exchanges. A useful insight can be obtained by merging observations from satellite altimeter and in situ profilers (ARGO). In such composite analyses, eddies are first automatically identified and tracked from altimeter data (Mason et al. 2014, py-eddy-tracker). Vertical ARGO profiles are then expressed in terms of their position relative to eddy centers and radii. Derived statistics indicate how consistently mesoscale eddies alter the vertical structure, and provide a deeper understanding of the associated horizontal and vertical fluxes. However, this data-based approach is limited in the Black Sea due to the lower quality of gridded altimetric products in the vicinity of the coast, where semi-permanent mesoscale structures prevail. To complement the difficult analysis of this sparse dataset, a compositing methodology. is also applied to model outputs from the 5km GHER-BHAMBI Black Sea implementation (CMEMS BS-MFC). Characteristic biogeochemical anomalies associated with eddies in the model are analyzed per se, and compared to the observation-based analysis. Capet, A., Stanev, E. V., Beckers, J.-M., Murray, J. W., and Grégoire, M.: Decline of the Black Sea oxygen inventory, Biogeosciences, 13, 1287-1297, doi:10

  16. Mesoscale variability in the Bransfield Strait region (Antarctica during Austral summer

    M. A. García

    1994-08-01

    Full Text Available The Bransfield Strait is one the best-known areas of Antarctica's oceanic surroundings. In spite of this, the study of the mesoscale variability of its local circulation has been addressed only recently. This paper focuses on the mesoscale structure of local physical oceanographic conditions in the Bransfield Strait during the Austral summer as derived from the BIOANTAR 93 cruise and auxiliary remote sensing data. Moreover, data recovered from moored current meters allow identification of transient mesoscale phenomena.

  17. Handbook of heterocyclic chemistry

    Katritzky, Alan R

    2010-01-01

    ... Heterocyclic Chemistry I (1984) Comprehensive Heterocyclic Chemistry II (1996) Comprehensive Heterocyclic Chemistry III (2008) Comprehensive Organic Functional Group Transformations I (1995) Compreh...

  18. Evaluation of surface air temperature and urban effects in Japan simulated by non-hydrostatic regional climate model

    Murata, A.; Sasaki, H.; Hanafusa, M.; Kurihara, K.

    2012-12-01

    We evaluated the performance of a well-developed nonhydrostatic regional climate model (NHRCM) with a spatial resolution of 5 km with respect to temperature in the present-day climate of Japan, and estimated urban heat island (UHI) intensity by comparing the model results and observations. The magnitudes of root mean square error (RMSE) and systematic error (bias) for the annual average of daily mean (Ta), maximum (Tx), and minimum (Tn) temperatures are within 1.5 K, demonstrating that the temperatures of the present-day climate are reproduced well by NHRCM. These small errors indicate that temperature variability produced by local-scale phenomena is represented well by the model with a higher spatial resolution. It is also found that the magnitudes of RMSE and bias in the annually-average Tx are relatively large compared with those in Ta and Tn. The horizontal distributions of the error, defined as the difference between simulated and observed temperatures (simulated minus observed), illustrate negative errors in the annually-averaged Tn in three major metropolitan areas: Tokyo, Osaka, and Nagoya. These negative errors in urban areas affect the cold bias in the annually-averaged Tx. The relation between the underestimation of temperature and degree of urbanization is therefore examined quantitatively using National Land Numerical Information provided by the Ministry of Land, Infrastructure, Transport, and Tourism. The annually-averaged Ta, Tx, and Tn are all underestimated in the areas where the degree of urbanization is relatively high. The underestimations in these areas are attributed to the treatment of urban areas in NHRCM, where the effects of urbanization, such as waste heat and artificial structures, are not included. In contrast, in rural areas, the simulated Tx is underestimated and Tn is overestimated although the errors in Ta are small. This indicates that the simulated diurnal temperature range is underestimated. The reason for the relatively large

  19. Mesoscale Model Data Preparation and Execution: A New Method Utilizing the Internet

    Kirby, Stephen

    2002-01-01

    In order to streamline and simplify the methodologies required to obtain and process the requisite meteorological data for mesoscale meteorological models such as the Battlescale Forecast Model (BFM...

  20. North Pacific Mesoscale Coupled Air-Ocean Simulations Compared with Observations

    Cerovecki, Ivana [Univ. of California, San Diego, CA (United States). Scripps Inst. of Oceanography; McClean, Julie [Univ. of California, San Diego, CA (United States). Scripps Inst. of Oceanography; Koracin, Darko [Desert Research Inst. (DRI), Reno, NV (United States). Division of Atmospheric Sciences

    2014-11-14

    The overall objective of this study was to improve the representation of regional ocean circulation in the North Pacific by using high resolution atmospheric forcing that accurately represents mesoscale processes in ocean-atmosphere regional (North Pacific) model configuration. The goal was to assess the importance of accurate representation of mesoscale processes in the atmosphere and the ocean on large scale circulation. This is an important question, as mesoscale processes in the atmosphere which are resolved by the high resolution mesoscale atmospheric models such as Weather Research and Forecasting (WRF), are absent in commonly used atmospheric forcing such as CORE forcing, employed in e.g. the Community Climate System Model (CCSM).

  1. Experimental Study on Meso-Scale Milling Process Using Nanofluid Minimum Quantity Lubrication

    Lee, P. H.; Nam, T. S.; Li, Cheng Jun; Lee, S. W.

    2010-01-01

    This paper present the characteristics of micro- and meso-scale milling processes in which compressed cold air, minimum quantity lubrication (MQL) and MoS 2 nanofluid MQL are used. For process characterization, the micro and meso-scale milling experiments are conducted using desktop meso-scale machine tool system and the surface roughness is measured. The experimental results show that the use of compressed chilly air and nanofluid MQL in the micro- and meso-scale milling processes is effective in improving the surface finish

  2. Reinventing Chemistry

    Whitesides, George McClelland

    2015-01-01

    Chemistry is in a period of change, from an era focused on molecules and reactions, to one in which manipulations of systems of molecules and reactions will be essential parts of controlling larger systems. This Essay traces paths from the past to possible futures.

  3. Chemistry Notes

    School Science Review, 1972

    1972-01-01

    Short articles on the kinetics of the hydrogen peroxide-iodide ion reaction, simulation of fluidization catalysis, the use of Newman projection diagrams to represent steric relationships in organic chemistry, the use of synthetic substrates for proteolytic enzyme reactions, and two simple clock reactions"--hydrolysis of halogenoalkanes and…

  4. Chemistry and physics

    Broerse, J.J.; Barendsen, G.W.; Kal, H.B.; Kogel, A.J. van der

    1983-01-01

    This book contains the extended abstracts of the contributions of the poster workshop sessions on chemistry and physics of the 7th international congress of radiation research. They cover the following main topics: primary processes in radiation physics and chemistry, general chemistry in radiation chemistry, DNA and model systems in radiation chemistry, molecules of biological interest in radiation chemistry, techniques in radiation chemistry, hot atom chemistry. refs.; figs.; tabs

  5. Fine chemistry

    Laszlo, P.

    1988-01-01

    The 1988 progress report of the Fine Chemistry laboratory (Polytechnic School, France) is presented. The research programs are centered on the renewal of the organic chemistry most important reactions and on the invention of new, highly efficient and highly selective reactions, by applying low cost reagents and solvents. An important research domain concerns the study and fabrication of new catalysts. They are obtained by means of the reactive sputtering of the metals and metal oxydes thin films. The Monte Carlo simulations of the long-range electrostatic interaction in a clay and the obtention of acrylamides from anhydrous or acrylic ester are summarized. Moreover, the results obtained in the field of catalysis are also given. The published papers and the congress communications are included [fr

  6. Radioanalytical chemistry

    1982-01-01

    The bibliography of Hungarian literature in the field of radioanalytical chemistry covers the four-year period 1976-1979. The list of papers contains 290 references in the alphabetical order of the first authors. The majority of the titles belongs to neutron activation analysis, labelling, separation and determination of radioactive isotopes. Other important fields like radioimmunoassay, environmental protection etc. are covered as well. (Sz.J.)

  7. Analytical chemistry

    Anon.

    1985-01-01

    The division for Analytical Chemistry continued to try and develope an accurate method for the separation of trace amounts from mixtures which, contain various other elements. Ion exchange chromatography is of special importance in this regard. New separation techniques were tried on certain trace amounts in South African standard rock materials and special ceramics. Methods were also tested for the separation of carrier-free radioisotopes from irradiated cyclotron discs

  8. Towards a generalization procedure for WRF mesoscale wind climatologies

    Hahmann, Andrea N.; Casso, P.; Campmany, E.

    We present a method for generalizing wind climatologies generated from mesoscale model output (e.g. the Weather, Research and Forecasting (WRF) model.) The generalization procedure is based on Wind Atlas framework of WAsP and KAMM/WAsP, and been extensively in wind resources assessment in DTU Wind...... generalized wind climatologies estimated by the microscale model WAsP and the methodology presented here. For the Danish wind measurements the mean absolute error in the ‘raw’ wind speeds is 9.2%, while the mean absolute error in the generalized wind speeds is 4.1%. The generalization procedure has been...

  9. A Reanalysis System for the Generation of Mesoscale Climatographies

    Hahmann, Andrea N.; Rostkier-Edelstein, Dorita; Warner, Thomas T.

    2010-01-01

    ), wherein Newtonian relaxation terms in the prognostic equations continually nudge the model solution toward surface and upper-air observations. When applied to a mesoscale climatography, the system is called Climate-FDDA (CFDDA). Here, the CFDDA system is used for downscaling eastern Mediterranean...... the frequency distributions of atmospheric states in addition to time means. The verification of the monthly rainfall climatography shows that CFDDA captures most of the observed spatial and interannual variability, although the model tends to underestimate rainfall amounts over the sea. The frequency...

  10. LBM estimation of thermal conductivity in meso-scale modelling

    Grucelski, A

    2016-01-01

    Recently, there is a growing engineering interest in more rigorous prediction of effective transport coefficients for multicomponent, geometrically complex materials. We present main assumptions and constituents of the meso-scale model for the simulation of the coal or biomass devolatilisation with the Lattice Boltzmann method. For the results, the estimated values of the thermal conductivity coefficient of coal (solids), pyrolytic gases and air matrix are presented for a non-steady state with account for chemical reactions in fluid flow and heat transfer. (paper)

  11. Adaptation of Mesoscale Weather Models to Local Forecasting

    Manobianco, John T.; Taylor, Gregory E.; Case, Jonathan L.; Dianic, Allan V.; Wheeler, Mark W.; Zack, John W.; Nutter, Paul A.

    2003-01-01

    Methodologies have been developed for (1) configuring mesoscale numerical weather-prediction models for execution on high-performance computer workstations to make short-range weather forecasts for the vicinity of the Kennedy Space Center (KSC) and the Cape Canaveral Air Force Station (CCAFS) and (2) evaluating the performances of the models as configured. These methodologies have been implemented as part of a continuing effort to improve weather forecasting in support of operations of the U.S. space program. The models, methodologies, and results of the evaluations also have potential value for commercial users who could benefit from tailoring their operations and/or marketing strategies based on accurate predictions of local weather. More specifically, the purpose of developing the methodologies for configuring the models to run on computers at KSC and CCAFS is to provide accurate forecasts of winds, temperature, and such specific thunderstorm-related phenomena as lightning and precipitation. The purpose of developing the evaluation methodologies is to maximize the utility of the models by providing users with assessments of the capabilities and limitations of the models. The models used in this effort thus far include the Mesoscale Atmospheric Simulation System (MASS), the Regional Atmospheric Modeling System (RAMS), and the National Centers for Environmental Prediction Eta Model ( Eta for short). The configuration of the MASS and RAMS is designed to run the models at very high spatial resolution and incorporate local data to resolve fine-scale weather features. Model preprocessors were modified to incorporate surface, ship, buoy, and rawinsonde data as well as data from local wind towers, wind profilers, and conventional or Doppler radars. The overall evaluation of the MASS, Eta, and RAMS was designed to assess the utility of these mesoscale models for satisfying the weather-forecasting needs of the U.S. space program. The evaluation methodology includes

  12. Industrial chemistry engineering

    1993-01-01

    This book on industrial chemistry engineering is divided in two parts. The first part deals with industrial chemistry, inorganic industrial chemistry, organic industrial chemistry, analytical chemistry and practical questions. The last parts explain the chemical industry, a unit parts and thermodynamics in chemical industry and reference. It reveals the test subjects for the industrial chemistry engineering with a written examination and practical skill.

  13. Computational chemistry

    Arnold, J. O.

    1987-01-01

    With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

  14. Green chemistry

    Warner, John C.; Cannon, Amy S.; Dye, Kevin M.

    2004-01-01

    A grand challenge facing government, industry, and academia in the relationship of our technological society to the environment is reinventing the use of materials. To address this challenge, collaboration from an interdisciplinary group of stakeholders will be necessary. Traditionally, the approach to risk management of materials and chemicals has been through inerventions intended to reduce exposure to materials that are hazardous to health and the environment. In 1990, the Pollution Prevention Act encouraged a new tact-elimination of hazards at the source. An emerging approach to this grand challenge seeks to embed the diverse set of environmental perspectives and interests in the everyday practice of the people most responsible for using and creating new materials--chemists. The approach, which has come to be known as Green Chemistry, intends to eliminate intrinsic hazard itself, rather than focusing on reducing risk by minimizing exposure. This chapter addresses the representation of downstream environmental stakeholder interests in the upstream everyday practice that is reinventing chemistry and its material inputs, products, and waste as described in the '12 Principles of Green Chemistry'

  15. Recipes for correcting the impact of effective mesoscale resolution on the estimation of extreme winds

    Larsén, Xiaoli Guo; Ott, Søren; Badger, Jake

    2012-01-01

    Extreme winds derived from simulations using mesoscale models are underestimated due to the effective spatial and temporal resolutions. This is reflected in the spectral domain as an energy deficit in the mesoscale range. The energy deficit implies smaller spectral moments and thus underestimatio...

  16. Mesoscale eddies are oases for higher trophic marine life

    Godø , Olav R.; Samuelsen, Annette; Macaulay, Gavin J.; Patel, Ruben; Hjø llo, Solfrid Sæ tre; Horne, John; Kaartvedt, Stein; Johannessen, Johnny A.

    2012-01-01

    Mesoscale eddies stimulate biological production in the ocean, but knowledge of energy transfers to higher trophic levels within eddies remains fragmented and not quantified. Increasing the knowledge base is constrained by the inability of traditional sampling methods to adequately sample biological processes at the spatio-temporal scales at which they occur. By combining satellite and acoustic observations over spatial scales of 10 s of km horizontally and 100 s of m vertically, supported by hydrographical and biological sampling we show that anticyclonic eddies shape distribution and density of marine life from the surface to bathyal depths. Fish feed along density structures of eddies, demonstrating that eddies catalyze energy transfer across trophic levels. Eddies create attractive pelagic habitats, analogous to oases in the desert, for higher trophic level aquatic organisms through enhanced 3-D motion that accumulates and redistributes biomass, contributing to overall bioproduction in the ocean. Integrating multidisciplinary observation methodologies promoted a new understanding of biophysical interaction in mesoscale eddies. Our findings emphasize the impact of eddies on the patchiness of biomass in the sea and demonstrate that they provide rich feeding habitat for higher trophic marine life. 2012 God et al.

  17. Rotational and divergent kinetic energy in the mesoscale model ALADIN

    V. Blažica

    2013-03-01

    Full Text Available Kinetic energy spectra from the mesoscale numerical weather prediction (NWP model ALADIN with horizontal resolution 4.4 km are split into divergent and rotational components which are then compared at horizontal scales below 300 km and various vertical levels. It is shown that about 50% of kinetic energy in the free troposphere in ALADIN is divergent energy. The percentage increases towards 70% near the surface and in the upper troposphere towards 100 hPa. The maximal percentage of divergent energy is found at stratospheric levels around 100 hPa and at scales below 100 km which are not represented by the global models. At all levels, the divergent energy spectra are characterised by shallower slopes than the rotational energy spectra, and the difference increases as horizontal scales become larger. A very similar vertical distribution of divergent energy is obtained by using the standard ALADIN approach for the computation of spectra based on the extension zone and by applying detrending approach commonly used in mesoscale NWP community.

  18. Optogenetic stimulation of a meso-scale human cortical model

    Selvaraj, Prashanth; Szeri, Andrew; Sleigh, Jamie; Kirsch, Heidi

    2015-03-01

    Neurological phenomena like sleep and seizures depend not only on the activity of individual neurons, but on the dynamics of neuron populations as well. Meso-scale models of cortical activity provide a means to study neural dynamics at the level of neuron populations. Additionally, they offer a safe and economical way to test the effects and efficacy of stimulation techniques on the dynamics of the cortex. Here, we use a physiologically relevant meso-scale model of the cortex to study the hypersynchronous activity of neuron populations during epileptic seizures. The model consists of a set of stochastic, highly non-linear partial differential equations. Next, we use optogenetic stimulation to control seizures in a hyperexcited cortex, and to induce seizures in a normally functioning cortex. The high spatial and temporal resolution this method offers makes a strong case for the use of optogenetics in treating meso scale cortical disorders such as epileptic seizures. We use bifurcation analysis to investigate the effect of optogenetic stimulation in the meso scale model, and its efficacy in suppressing the non-linear dynamics of seizures.

  19. On the Nature of the Mesoscale Variability in Denmark Strait

    Pickart, Robert; von Appen, Wilken; Mastropole, Dana; Valdimarsson, Hedinn; Vage, Kjetil; Jonsson, Steingriumur; Jochumsen, Kerstin; Girton, James

    2017-04-01

    The dense overflow through Denmark Strait is the largest contributor to the lower limb of the Atlantic Meridional Overturning Circulation. As such, it is important to understand the sources of water feeding the overflow and how the water negotiates the sill as it passes into the Irminger Sea. Here we use a large collection of shipboard hydrographic transects occupied across the strait, together with 6-years of mooring data from the sill, to investigate the water masses and mesoscale variability of the overflow water. Two dominant types of mesoscale features were identified, referred to as a "bolus" and a "pulse". The former is a large lens of weakly stratified water corresponding to a slight increase in along-strait velocity. The latter is a thin layer with greater stratification and strongly enhanced along-strait flow. The boluses, which are often noted in the historical literature, are associated with cyclonic circulation, while pulses, which have not been previously identified, are associated with anti-cyclonic circulation. Both features result in increased transport of overflow water. It is argued that these fluctuations at the sill trigger energetic variability downstream in the Deep Western Boundary Current.

  20. Mesoscale eddies are oases for higher trophic marine life.

    Olav R Godø

    Full Text Available Mesoscale eddies stimulate biological production in the ocean, but knowledge of energy transfers to higher trophic levels within eddies remains fragmented and not quantified. Increasing the knowledge base is constrained by the inability of traditional sampling methods to adequately sample biological processes at the spatio-temporal scales at which they occur. By combining satellite and acoustic observations over spatial scales of 10 s of km horizontally and 100 s of m vertically, supported by hydrographical and biological sampling we show that anticyclonic eddies shape distribution and density of marine life from the surface to bathyal depths. Fish feed along density structures of eddies, demonstrating that eddies catalyze energy transfer across trophic levels. Eddies create attractive pelagic habitats, analogous to oases in the desert, for higher trophic level aquatic organisms through enhanced 3-D motion that accumulates and redistributes biomass, contributing to overall bioproduction in the ocean. Integrating multidisciplinary observation methodologies promoted a new understanding of biophysical interaction in mesoscale eddies. Our findings emphasize the impact of eddies on the patchiness of biomass in the sea and demonstrate that they provide rich feeding habitat for higher trophic marine life.

  1. Derivation and precision of mean field electrodynamics with mesoscale fluctuations

    Zhou, Hongzhe; Blackman, Eric G.

    2018-06-01

    Mean field electrodynamics (MFE) facilitates practical modelling of secular, large scale properties of astrophysical or laboratory systems with fluctuations. Practitioners commonly assume wide scale separation between mean and fluctuating quantities, to justify equality of ensemble and spatial or temporal averages. Often however, real systems do not exhibit such scale separation. This raises two questions: (I) What are the appropriate generalized equations of MFE in the presence of mesoscale fluctuations? (II) How precise are theoretical predictions from MFE? We address both by first deriving the equations of MFE for different types of averaging, along with mesoscale correction terms that depend on the ratio of averaging scale to variation scale of the mean. We then show that even if these terms are small, predictions of MFE can still have a significant precision error. This error has an intrinsic contribution from the dynamo input parameters and a filtering contribution from differences in the way observations and theory are projected through the measurement kernel. Minimizing the sum of these contributions can produce an optimal scale of averaging that makes the theory maximally precise. The precision error is important to quantify when comparing to observations because it quantifies the resolution of predictive power. We exemplify these principles for galactic dynamos, comment on broader implications, and identify possibilities for further work.

  2. Use of ground-based wind profiles in mesoscale forecasting

    Schlatter, Thomas W.

    1985-01-01

    A brief review is presented of recent uses of ground-based wind profile data in mesoscale forecasting. Some of the applications are in real time, and some are after the fact. Not all of the work mentioned here has been published yet, but references are given wherever possible. As Gage and Balsley (1978) point out, sensitive Doppler radars have been used to examine tropospheric wind profiles since the 1970's. It was not until the early 1980's, however, that the potential contribution of these instruments to operational forecasting and numerical weather prediction became apparent. Profiler winds and radiosonde winds compare favorably, usually within a few m/s in speed and 10 degrees in direction (see Hogg et al., 1983), but the obvious advantage of the profiler is its frequent (hourly or more often) sampling of the same volume. The rawinsonde balloon is launched only twice a day and drifts with the wind. In this paper, I will: (1) mention two operational uses of data from a wind profiling system developed jointly by the Wave Propagation and Aeronomy Laboratories of NOAA; (2) describe a number of displays of these same data on a workstation for mesoscale forecasting developed by the Program for Regional Observing and Forecasting Services (PROFS); and (3) explain some interesting diagnostic calculations performed by meteorologists of the Wave Propagation Laboratory.

  3. Mesoscale eddies are oases for higher trophic marine life

    Godø, Olav R.

    2012-01-17

    Mesoscale eddies stimulate biological production in the ocean, but knowledge of energy transfers to higher trophic levels within eddies remains fragmented and not quantified. Increasing the knowledge base is constrained by the inability of traditional sampling methods to adequately sample biological processes at the spatio-temporal scales at which they occur. By combining satellite and acoustic observations over spatial scales of 10 s of km horizontally and 100 s of m vertically, supported by hydrographical and biological sampling we show that anticyclonic eddies shape distribution and density of marine life from the surface to bathyal depths. Fish feed along density structures of eddies, demonstrating that eddies catalyze energy transfer across trophic levels. Eddies create attractive pelagic habitats, analogous to oases in the desert, for higher trophic level aquatic organisms through enhanced 3-D motion that accumulates and redistributes biomass, contributing to overall bioproduction in the ocean. Integrating multidisciplinary observation methodologies promoted a new understanding of biophysical interaction in mesoscale eddies. Our findings emphasize the impact of eddies on the patchiness of biomass in the sea and demonstrate that they provide rich feeding habitat for higher trophic marine life. 2012 God et al.

  4. Mesoscale eddies in the Subantarctic Front-Southwest Atlantic

    Pablo D. Glorioso

    2005-12-01

    Full Text Available Satellite and ship observations in the southern southwest Atlantic (SSWA reveal an intense eddy field and highlight the potential for using continuous real-time satellite altimetry to detect and monitor mesoscale phenomena with a view to understanding the regional circulation. The examples presented suggest that mesoscale eddies are a dominant feature of the circulation and play a fundamental role in the transport of properties along and across the Antarctic Circumpolar Current (ACC. The main ocean current in the SSWA, the Falkland-Malvinas Current (FMC, exhibits numerous embedded eddies south of 50°S which may contribute to the patchiness, transport and mixing of passive scalars by this strong, turbulent current. Large eddies associated with meanders are observed in the ACC fronts, some of them remaining stationary for long periods. Two particular cases are examined using a satellite altimeter in combination with in situ observations, suggesting that cross-frontal eddy transport and strong meandering occur where the ACC flow intensifies along the sub-Antarctic Front (SAF and the Southern ACC Front (SACCF.

  5. Lightning characteristics of derecho producing mesoscale convective systems

    Bentley, Mace L.; Franks, John R.; Suranovic, Katelyn R.; Barbachem, Brent; Cannon, Declan; Cooper, Stonie R.

    2016-06-01

    Derechos, or widespread, convectively induced wind storms, are a common warm season phenomenon in the Central and Eastern United States. These damaging and severe weather events are known to sweep quickly across large spatial regions of more than 400 km and produce wind speeds exceeding 121 km h-1. Although extensive research concerning derechos and their parent mesoscale convective systems already exists, there have been few investigations of the spatial and temporal distribution of associated cloud-to-ground lightning with these events. This study analyzes twenty warm season (May through August) derecho events between 2003 and 2013 in an effort to discern their lightning characteristics. Data used in the study included cloud-to-ground flash data derived from the National Lightning Detection Network, WSR-88D imagery from the University Corporation for Atmospheric Research, and damaging wind report data obtained from the Storm Prediction Center. A spatial and temporal analysis was conducted by incorporating these data into a geographic information system to determine the distribution and lightning characteristics of the environments of derecho producing mesoscale convective systems. Primary foci of this research include: (1) finding the approximate size of the lightning activity region for individual and combined event(s); (2) determining the intensity of each event by examining the density and polarity of lightning flashes; (3) locating areas of highest lightning flash density; and (4) to provide a lightning spatial analysis that outlines the temporal and spatial distribution of flash activity for particularly strong derecho producing thunderstorm episodes.

  6. Theoretical chemistry periodicities in chemistry and biology

    Eyring, Henry

    1978-01-01

    Theoretical Chemistry: Periodicities in Chemistry and Biology, Volume 4 covers the aspects of theoretical chemistry. The book discusses the stably rotating patterns of reaction and diffusion; the chemistry of inorganic systems exhibiting nonmonotonic behavior; and population cycles. The text also describes the mathematical modeling of excitable media in neurobiology and chemistry; oscillating enzyme reactions; and oscillatory properties and excitability of the heart cell membrane. Selected topics from the theory of physico-chemical instabilities are also encompassed. Chemists, mechanical engin

  7. Solution chemistry

    None

    1973-07-01

    Research progress is reported on studies in heavy element chemistry. Topics considered are: synergistic complexes of plutonyl ion; water uptake in synergistic systems; formation constants of some uranyl BETA -diketone complexes; thermodynamic acid dissociation constants of BETA -diketones; thermodynamic formation constants of uranyl BETA -diketonates; thiocyanate complexes of some trivalent lanthanides and actinides; stability constants of actinide complexes using dinonyl naphthalenesulfonic acid extraction; TBP extraction of actinides; stability constants of complexes of Pu(III) with 5- sulfosalicycllc acid; and solvent extraction behavior of Pu( VII). (DHM)

  8. Interstellar chemistry.

    Klemperer, William

    2006-08-15

    In the past half century, radioastronomy has changed our perception and understanding of the universe. In this issue of PNAS, the molecular chemistry directly observed within the galaxy is discussed. For the most part, the description of the molecular transformations requires specific kinetic schemes rather than chemical thermodynamics. Ionization of the very abundant molecular hydrogen and atomic helium followed by their secondary reactions is discussed. The rich variety of organic species observed is a challenge for complete understanding. The role and nature of reactions involving grain surfaces as well as new spectroscopic observations of interstellar and circumstellar regions are topics presented in this special feature.

  9. Radiation chemistry and bioradical chemistry

    Ferradini, C.

    1991-01-01

    Oxygen metabolism results, at the cellular level, in the formation of superoxyde radical O 2 - · and probably also of hydroxyl radical OH·. Other radical species can be produced from exogenous or endogenous molecules and nearly all of them have the possibility to react with oxygen giving peroxyradicals. Some of these transients play a role in various biological processes such as phagocytosis, inflammation or ischemy although the mechanisms invoked are poorly understood. Radiation chemistry is an invaluable tool for obtaining a quantitative view of these mechanisms. A description is given of this interaction [fr

  10. Deep drivers of mesoscale circulation in the central Rockall Trough

    Sherwin, T. J.; Alyenik, D.; Dumont, E.; Inall, M.

    2014-11-01

    Mesoscale variability in the central Rockall Trough between about 56 and 58° N has been investigated using a combination of ship-borne, underwater glider and gridded satellite altimeter measurements. Altimeter observations show that mesoscale features such as eddies and large scale circulation cells are ubiquitous phenomena. They have horizontal length scales of order 100 km with vertical scales of over 1000 m and are associated with mean current speeds (over the upper 1000 m) of 15 ± 7 cm s-1. Monthly area averaged surface Eddy Kinetic Energy (EKE) has substantial inter-annual variability, which at times can dominate a mean seasonal signal that varies from a maximum in May (74 cm2 s-2) to a minimum in October (52 cm2 s-2) and has increased gradually since 1992 at about 1.1 cm2 s-2 per year. A five month glider mission in the Trough showed that much of this energy comes from features that are located over 1000 m below the surface in the deep cold waters of the Trough (possibly from eddies associated the North Atlantic Current). The surface currents from altimeters had similar magnitude to the drift currents averaged over 1000 m from the glider in the stratified autumn, but were half the deep water speed during late winter. Although the mesoscale features move in an apparent random manner they may also be quasi-trapped by submarine topography such as seamounts. Occasionally anti-cyclonic and cyclonic cells combine to cause a coherent westward deflection of the European slope current that warms the Rockall side of the Trough. Such deflections contribute to the inter-annual variability in the observed temperature and salinity that are monitored in the upper 800 m of the Trough. By combining glider and altimeter measurements it is shown that altimeter measurements fail to observe a 15 cm s-1 northward flowing slope current on the eastern side and a small persistent southward current on the western side. There is much to be gained from the synergy between satellite

  11. Fundamentals of nuclear chemistry

    Majer, K.

    1982-01-01

    The textbook is a Czech-to-German translation of the second revised edition and covers the subject under the headings: general nuclear chemistry, methods of nuclear chemistry, preparative nuclear chemistry, analytical nuclear chemistry, and applied chemistry. The book is especially directed to students

  12. Mesoscale Benchmark Demonstration Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing

    Li, Yulan; Hu, Shenyang Y.; Montgomery, Robert; Gao, Fei; Sun, Xin; Tonks, Michael; Biner, Bullent; Millet, Paul; Tikare, Veena; Radhakrishnan, Balasubramaniam; Andersson , David

    2012-04-11

    A study was conducted to evaluate the capabilities of different numerical methods used to represent microstructure behavior at the mesoscale for irradiated material using an idealized benchmark problem. The purpose of the mesoscale benchmark problem was to provide a common basis to assess several mesoscale methods with the objective of identifying the strengths and areas of improvement in the predictive modeling of microstructure evolution. In this work, mesoscale models (phase-field, Potts, and kinetic Monte Carlo) developed by PNNL, INL, SNL, and ORNL were used to calculate the evolution kinetics of intra-granular fission gas bubbles in UO2 fuel under post-irradiation thermal annealing conditions. The benchmark problem was constructed to include important microstructural evolution mechanisms on the kinetics of intra-granular fission gas bubble behavior such as the atomic diffusion of Xe atoms, U vacancies, and O vacancies, the effect of vacancy capture and emission from defects, and the elastic interaction of non-equilibrium gas bubbles. An idealized set of assumptions was imposed on the benchmark problem to simplify the mechanisms considered. The capability and numerical efficiency of different models are compared against selected experimental and simulation results. These comparisons find that the phase-field methods, by the nature of the free energy formulation, are able to represent a larger subset of the mechanisms influencing the intra-granular bubble growth and coarsening mechanisms in the idealized benchmark problem as compared to the Potts and kinetic Monte Carlo methods. It is recognized that the mesoscale benchmark problem as formulated does not specifically highlight the strengths of the discrete particle modeling used in the Potts and kinetic Monte Carlo methods. Future efforts are recommended to construct increasingly more complex mesoscale benchmark problems to further verify and validate the predictive capabilities of the mesoscale modeling

  13. Parameterization of Mixed Layer and Deep-Ocean Mesoscales Including Nonlinearity

    Canuto, V. M.; Cheng, Y.; Dubovikov, M. S.; Howard, A. M.; Leboissetier, A.

    2018-01-01

    In 2011, Chelton et al. carried out a comprehensive census of mesoscales using altimetry data and reached the following conclusions: "essentially all of the observed mesoscale features are nonlinear" and "mesoscales do not move with the mean velocity but with their own drift velocity," which is "the most germane of all the nonlinear metrics."� Accounting for these results in a mesoscale parameterization presents conceptual and practical challenges since linear analysis is no longer usable and one needs a model of nonlinearity. A mesoscale parameterization is presented that has the following features: 1) it is based on the solutions of the nonlinear mesoscale dynamical equations, 2) it describes arbitrary tracers, 3) it includes adiabatic (A) and diabatic (D) regimes, 4) the eddy-induced velocity is the sum of a Gent and McWilliams (GM) term plus a new term representing the difference between drift and mean velocities, 5) the new term lowers the transfer of mean potential energy to mesoscales, 6) the isopycnal slopes are not as flat as in the GM case, 7) deep-ocean stratification is enhanced compared to previous parameterizations where being more weakly stratified allowed a large heat uptake that is not observed, 8) the strength of the Deacon cell is reduced. The numerical results are from a stand-alone ocean code with Coordinated Ocean-Ice Reference Experiment I (CORE-I) normal-year forcing.

  14. Cyclodextrin chemistry

    Khan, M.Z.; Chuaqui, C.A.

    1990-05-01

    The chemistry of cyclodextrins was studied. This study included synthesising some cyclodextrin derivatives, preparing selected inclusion complexes with cyclodextrin and investigating the effects of gamma irradiation on cyclodextrins and certain linear oligosaccharides. This report presents a brief review of the structure and properties of cyclodextrins, the synthesis of cyclodextrin derivatives, their complexation and applications. This is followed by a description of the synthesis of some cyclodextrin derivatives and the preparation of inclusion complexes of cyclodextrin with some organic compounds. Finally, the effects of gamma irradiation on cyclodextrins, some of their derivatives and certain structurally related carbohydrates are discussed. The gamma irradiation studies were carried out for two reasons: to study the effects of gamma irradiation on cyclodextrins and their derivatives; and to investigate selectivity during the gamma irradiation of cyclodextrin derivatives

  15. Astronomical chemistry.

    Klemperer, William

    2011-01-01

    The discovery of polar polyatomic molecules in higher-density regions of the interstellar medium by means of their rotational emission detected by radioastronomy has changed our conception of the universe from essentially atomic to highly molecular. We discuss models for molecule formation, emphasizing the general lack of thermodynamic equilibrium. Detailed chemical kinetics is needed to understand molecule formation as well as destruction. Ion molecule reactions appear to be an important class for the generally low temperatures of the interstellar medium. The need for the intrinsically high-quality factor of rotational transitions to definitively pin down molecular emitters has been well established by radioastronomy. The observation of abundant molecular ions both positive and, as recently observed, negative provides benchmarks for chemical kinetic schemes. Of considerable importance in guiding our understanding of astronomical chemistry is the fact that the larger molecules (with more than five atoms) are all organic.

  16. Reburning chemistry

    Kilpin, P.; Hupa, M.; Glarborg, P.

    1992-01-01

    No reduction chemistry in natural gas (methane) reburning was studied using detailed kinetic modeling. A reaction set including 225 reversible elementary gas-phase reactions and 48 chemical species was applied to an ideal plug flow reactor, and the most important reactions leading to NO reduction were identified and quantified for a number of conditions relevant for natural gas reburning. In addition, the influence of different process parameters on the NO reduction was investigated in the reburn zone and burn-out zone, respectively. Further, comparison of the calculations to available laboratory-scale data on reburning is made. In this paper, the impact of various fluid dynamic, mixing, and chemical effects---not accounted for in the calculations---on the NO reduction and the optimum reburning conditions predicted is discussed

  17. Combustion chemistry

    Brown, N.J. [Lawrence Berkeley Laboratory, CA (United States)

    1993-12-01

    This research is concerned with the development and use of sensitivity analysis tools to probe the response of dependent variables to model input variables. Sensitivity analysis is important at all levels of combustion modeling. This group`s research continues to be focused on elucidating the interrelationship between features in the underlying potential energy surface (obtained from ab initio quantum chemistry calculations) and their responses in the quantum dynamics, e.g., reactive transition probabilities, cross sections, and thermal rate coefficients. The goals of this research are: (i) to provide feedback information to quantum chemists in their potential surface refinement efforts, and (ii) to gain a better understanding of how various regions in the potential influence the dynamics. These investigations are carried out with the methodology of quantum functional sensitivity analysis (QFSA).

  18. Green's Kernels and meso-scale approximations in perforated domains

    Maz'ya, Vladimir; Nieves, Michael

    2013-01-01

    There are a wide range of applications in physics and structural mechanics involving domains with singular perturbations of the boundary. Examples include perforated domains and bodies with defects of different types. The accurate direct numerical treatment of such problems remains a challenge. Asymptotic approximations offer an alternative, efficient solution. Green’s function is considered here as the main object of study rather than a tool for generating solutions of specific boundary value problems. The uniformity of the asymptotic approximations is the principal point of attention. We also show substantial links between Green’s functions and solutions of boundary value problems for meso-scale structures. Such systems involve a large number of small inclusions, so that a small parameter, the relative size of an inclusion, may compete with a large parameter, represented as an overall number of inclusions. The main focus of the present text is on two topics: (a) asymptotics of Green’s kernels in domai...

  19. Development of a parameterization scheme of mesoscale convective systems

    Cotton, W.R.

    1994-01-01

    The goal of this research is to develop a parameterization scheme of mesoscale convective systems (MCS) including diabatic heating, moisture and momentum transports, cloud formation, and precipitation. The approach is to: Perform explicit cloud-resolving simulation of MCSs; Perform statistical analyses of simulated MCSs to assist in fabricating a parameterization, calibrating coefficients, etc.; Test the parameterization scheme against independent field data measurements and in numerical weather prediction (NWP) models emulating general circulation model (GCM) grid resolution. Thus far we have formulated, calibrated, implemented and tested a deep convective engine against explicit Florida sea breeze convection and in coarse-grid regional simulations of mid-latitude and tropical MCSs. Several explicit simulations of MCSs have been completed, and several other are in progress. Analysis code is being written and run on the explicitly simulated data

  20. Design of a mesoscale continuous flow route towards lithiated methoxyallene.

    Seghers, Sofie; Heugebaert, Thomas S A; Moens, Matthias; Sonck, Jolien; Thybaut, Joris; Stevens, Chris Victor

    2018-05-11

    The unique nucleophilic properties of lithiated methoxyallene allow for C-C bond formation with a wide variety of electrophiles, thus introducing an allenic group for further functionalization. This approach has yielded a tremendously broad range of (hetero)cyclic scaffolds, including API precursors. To date, however, its valorization at scale is hampered by the batch synthesis protocol which suffers from serious safety issues. Hence, the attractive heat and mass transfer properties of flow technology were exploited to establish a mesoscale continuous flow route towards lithiated methoxyallene. An excellent conversion of 94% was obtained, corresponding to a methoxyallene throughput of 8.2 g/h. The process is characterized by short reaction times, mild reaction conditions and a stoichiometric use of reagents. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Advanced mesoscale forecasts of icing events for Gaspe wind farms

    Gayraud, A.; Benoit, R.; Camion, A.

    2009-01-01

    Atmospheric icing includes every event which causes ice accumulations of various shapes on different structures. In terms of its effects on wind farms, atmospheric icing can decrease the aerodynamic performance, cause structure overloading, and add vibrations leading to failure and breaking. This presentation discussed advanced mesoscale forecasts of icing events for Gaspe wind farms. The context of the study was discussed with particular reference to atmospheric icing; effects on wind farms; and forecast objectives. The presentation also described the models and results of the study. These included MC2, a compressible community model, as well as a Milbrandt and Yau condensation scheme. It was shown that the study has provided good estimates of the duration of events as well as reliable precipitation categories. tabs., figs.

  2. A three-dimensional viscous topography mesoscale model

    Eichhorn, J; Flender, M; Kandlbinder, T; Panhans, W G; Trautmann, T; Zdunkowski, W G [Mainz Univ. (Germany). Inst. fuer Physik der Atmosphaere; Cui, K; Ries, R; Siebert, J; Wedi, N

    1997-11-01

    This study describes the theoretical foundation and applications of a newly designed mesoscale model named CLIMM (climate model Mainz). In contrast to terrain following coordinates, a cartesian grid is used to keep the finite difference equations as simple as possible. The method of viscous topography is applied to the flow part of the model. Since the topography intersects the cartesian grid cells, the new concept of boundary weight factors is introduced for the solution of Poisson`s equation. A three-dimensional radiosity model was implemented to handle radiative transfer at the ground. The model is applied to study thermally induced circulations and gravity waves at an idealized mountain. Furthermore, CLIMM was used to simulate typical wind and temperature distributions for the city of Mainz and its rural surroundings. It was found that the model in all cases produced realistic results. (orig.) 38 refs.

  3. Mesoscale modeling of amorphous metals by shear transformation zone dynamics

    Homer, Eric R.; Schuh, Christopher A.

    2009-01-01

    A new mesoscale modeling technique for the thermo-mechanical behavior of metallic glasses is proposed. The modeling framework considers the shear transformation zone (STZ) as the fundamental unit of deformation, and coarse-grains an amorphous collection of atoms into an ensemble of STZs on a mesh. By employing finite element analysis and a kinetic Monte Carlo algorithm, the modeling technique is capable of simulating glass processing and deformation on time and length scales greater than those usually attainable by atomistic modeling. A thorough explanation of the framework is presented, along with a specific two-dimensional implementation for a model metallic glass. The model is shown to capture the basic behaviors of metallic glasses, including high-temperature homogeneous flow following the expected constitutive law, and low-temperature strain localization into shear bands. Details of the effects of processing and thermal history on the glass structure and properties are also discussed.

  4. Assimilation of Aircraft Observations in High-Resolution Mesoscale Modeling

    Brian P. Reen

    2018-01-01

    Full Text Available Aircraft-based observations are a promising source of above-surface observations for assimilation into mesoscale model simulations. The Tropospheric Airborne Meteorological Data Reporting (TAMDAR observations have potential advantages over some other aircraft observations including the presence of water vapor observations. The impact of assimilating TAMDAR observations via observation nudging in 1 km horizontal grid spacing Weather Research and Forecasting model simulations is evaluated using five cases centered over California. Overall, the impact of assimilating the observations is mixed, with the layer with the greatest benefit being above the surface in the lowest 1000 m above ground level and the variable showing the most consistent benefit being temperature. Varying the nudging configuration demonstrates the sensitivity of the results to details of the assimilation, but does not clearly demonstrate the superiority of a specific configuration.

  5. Aerosol radiative effects on mesoscale cloud-precipitation variables over Northeast Asia during the MAPS-Seoul 2015 campaign

    Park, Shin-Young; Lee, Hyo-Jung; Kang, Jeong-Eon; Lee, Taehyoung; Kim, Cheol-Hee

    2018-01-01

    The online model, Weather Research and Forecasting Model with Chemistry (WRF-Chem) is employed to interpret the effects of aerosol-cloud-precipitation interaction on mesoscale meteorological fields over Northeast Asia during the Megacity Air Pollution Study-Seoul (MAPS-Seoul) 2015 campaign. The MAPS-Seoul campaign is a pre-campaign of the Korea-United States Air Quality (KORUS-AQ) campaign conducted over the Korean Peninsula. We validated the WRF-Chem simulations during the campaign period, and analyzed aerosol-warm cloud interactions by diagnosing both aerosol direct, indirect, and total effects. The results demonstrated that aerosol directly decreased downward shortwave radiation up to -44% (-282 W m-2) for this period and subsequently increased downward longwave radiation up to +15% (∼52 W m-2) in the presence of low-level clouds along the thematic area. Aerosol increased cloud fraction indirectly up to ∼24% with the increases of both liquid water path and the droplet number mixing ratio. Precipitation properties were altered both directly and indirectly. Direct effects simply changed cloud-precipitation quantities via simple updraft process associated with perturbed radiation and temperature, while indirect effects mainly suppressed precipitation, but sometimes increased precipitation in the higher relative humidity atmosphere or near vapor-saturated condition. The total aerosol effects caused a time lag of the precipitation rate with the delayed onset time of up to 9 h. This implies the importance of aerosol effects in improving mesoscale precipitation rate prediction in the online approach in the presence of non-linear warm cloud.

  6. Dynamics of Clouds and Mesoscale Circulations over the Maritime Continent

    Jin, Y.; Wang, S.; Xian, P.; Reid, J. S.; Nachamkin, J.

    2010-12-01

    In recent decades Southeast Asia (SEA) has seen rapid economic growth as well as increased biomass burning, resulting in high air pollution levels and reduced air qual-ity. At the same time clouds often prevent accurate air-quality monitoring and analysis using satellite observations. The Seven SouthEast Asian Studies (7SEAS) field campaign currently underway over SEA provides an unprecedented opportunity to study the com-plex interplay between aerosol and clouds. 7SEAS is a comprehensive interdisciplinary atmospheric sciences program through international partnership of NASA, NRL, ONR and seven local institutions including those from Indonesia, Malaysia, the Philippines, Singapore, Taiwan, Thailand, and Vietnam. While the original goal of 7SEAS is to iso-late the impacts of aerosol particles on weather and the environment, it is recognized that better understanding of SEA meteorological conditions, especially those associated with cloud formation and evolution, is critical to the success of the campaign. In this study we attempt to gain more insight into the dynamic and physical processes associated with low level clouds and atmospheric circulation at the regional scale over SEA, using the Navy’s Coupled Ocean/Atmosphere Mesoscale Prediction System (COAMPS® ), a regional forecast model in operation at FNMOC since 1998. This effort comprises two main components. First, multiple-years of COAMPS operational forecasts over SEA are analyzed for basic climatology of atmospheric fea-tures. Second, mesoscale circulation and cloud properties are simulated at relatively higher resolution (15-km) for selected periods in the Gulf of Tonkin and adjacent coastal areas. Simulation results are compared to MODIS cloud observations and local sound-ings obtained during 7SEAS for model verifications. Atmospheric boundary layer proc-esses are examined in relation to spatial and temporal variations of cloud fields. The cur-rent work serves as an important step toward improving our

  7. Modification of inertial oscillations by the mesoscale eddy field

    Elipot, Shane; Lumpkin, Rick; Prieto, GermáN.

    2010-09-01

    The modification of near-surface near-inertial oscillations (NIOs) by the geostrophic vorticity is studied globally from an observational standpoint. Surface drifter are used to estimate NIO characteristics. Despite its spatial resolution limits, altimetry is used to estimate the geostrophic vorticity. Three characteristics of NIOs are considered: the relative frequency shift with respect to the local inertial frequency; the near-inertial variance; and the inverse excess bandwidth, which is interpreted as a decay time scale. The geostrophic mesoscale flow shifts the frequency of NIOs by approximately half its vorticity. Equatorward of 30°N and S, this effect is added to a global pattern of blue shift of NIOs. While the global pattern of near-inertial variance is interpretable in terms of wind forcing, it is also observed that the geostrophic vorticity organizes the near-inertial variance; it is maximum for near zero values of the Laplacian of the vorticity and decreases for nonzero values, albeit not as much for positive as for negative values. Because the Laplacian of vorticity and vorticity are anticorrelated in the altimeter data set, overall, more near-inertial variance is found in anticyclonic vorticity regions than in cyclonic regions. While this is compatible with anticyclones trapping NIOs, the organization of near-inertial variance by the Laplacian of vorticity is also in very good agreement with previous theoretical and numerical predictions. The inverse bandwidth is a decreasing function of the gradient of vorticity, which acts like the gradient of planetary vorticity to increase the decay of NIOs from the ocean surface. Because the altimetry data set captures the largest vorticity gradients in energetic mesoscale regions, it is also observed that NIOs decay faster in large geostrophic eddy kinetic energy regions.

  8. Optical 3D printing: bridging the gaps in the mesoscale

    Jonušauskas, Linas; Juodkazis, Saulius; Malinauskas, Mangirdas

    2018-05-01

    Over the last decade, optical 3D printing has proved itself to be a flexible and capable approach in fabricating an increasing variety of functional structures. One of the main reasons why this technology has become so prominent is the fact that it allows the creation of objects in the mesoscale, where structure dimensions range from nanometers to centimeters. At this scale, the size and spatial configuration of produced single features start to influence the characteristics of the whole object, enabling an array of new, exotic and otherwise unachievable properties and structures (i.e. metamaterials). Here, we present the advantages of this technology in creating mesoscale structures in comparison to subtractive manufacturing techniques and to other branches of 3D printing. Differences between stereolithography, sintering, laser-induced forward transfer and femtosecond laser 3D multi-photon polymerization are highlighted. Attention is given to the discussion of applicable light sources, as well as to an ongoing analysis of the light–matter interaction mechanisms, as they determine the processable materials, required technological steps and the fidelity of feature sizes in fabricated patterns and workpieces. Optical 3D printing-enabled functional structures in micromechanics, medicine, microfluidics, micro-optics and photonics are discussed, with an emphasis on how this particular technology benefits advances in those fields. 4D printing, achieved by varying both the architecture and spatial material composition of the 3D structure, feature-size reduction via stimulated emission depletion-inspired nanolithography or thermal post-treatment, as well as plasmonic nanoparticle-polymer nanocomposites, are presented among examples of the newest trends in the development of this technology. Finally, an outlook is given, examining further scientific frontiers in the field as well as possibilities and challenges in transferring laboratory-level know-how to industrial

  9. Meso-scale modeling of irradiated concrete in test reactor

    Giorla, A.; Vaitová, M.; Le Pape, Y.; Štemberk, P.

    2015-01-01

    Highlights: • A meso-scale finite element model for irradiated concrete is developed. • Neutron radiation-induced volumetric expansion is a predominant degradation mode. • Confrontation with expansion and damage obtained from experiments is successful. • Effects of paste shrinkage, creep and ductility are discussed. - Abstract: A numerical model accounting for the effects of neutron irradiation on concrete at the mesoscale is detailed in this paper. Irradiation experiments in test reactor (Elleuch et al., 1972), i.e., in accelerated conditions, are simulated. Concrete is considered as a two-phase material made of elastic inclusions (aggregate) subjected to thermal and irradiation-induced swelling and embedded in a cementitious matrix subjected to shrinkage and thermal expansion. The role of the hardened cement paste in the post-peak regime (brittle-ductile transition with decreasing loading rate), and creep effects are investigated. Radiation-induced volumetric expansion (RIVE) of the aggregate cause the development and propagation of damage around the aggregate which further develops in bridging cracks across the hardened cement paste between the individual aggregate particles. The development of damage is aggravated when shrinkage occurs simultaneously with RIVE during the irradiation experiment. The post-irradiation expansion derived from the simulation is well correlated with the experimental data and, the obtained damage levels are fully consistent with previous estimations based on a micromechanical interpretation of the experimental post-irradiation elastic properties (Le Pape et al., 2015). The proposed modeling opens new perspectives for the interpretation of test reactor experiments in regards to the actual operation of light water reactors.

  10. Meso-scale modeling of irradiated concrete in test reactor

    Giorla, A. [Oak Ridge National Laboratory, One Bethel Valley Road, Oak Ridge, TN 37831 (United States); Vaitová, M. [Czech Technical University, Thakurova 7, 166 29 Praha 6 (Czech Republic); Le Pape, Y., E-mail: lepapeym@ornl.gov [Oak Ridge National Laboratory, One Bethel Valley Road, Oak Ridge, TN 37831 (United States); Štemberk, P. [Czech Technical University, Thakurova 7, 166 29 Praha 6 (Czech Republic)

    2015-12-15

    Highlights: • A meso-scale finite element model for irradiated concrete is developed. • Neutron radiation-induced volumetric expansion is a predominant degradation mode. • Confrontation with expansion and damage obtained from experiments is successful. • Effects of paste shrinkage, creep and ductility are discussed. - Abstract: A numerical model accounting for the effects of neutron irradiation on concrete at the mesoscale is detailed in this paper. Irradiation experiments in test reactor (Elleuch et al., 1972), i.e., in accelerated conditions, are simulated. Concrete is considered as a two-phase material made of elastic inclusions (aggregate) subjected to thermal and irradiation-induced swelling and embedded in a cementitious matrix subjected to shrinkage and thermal expansion. The role of the hardened cement paste in the post-peak regime (brittle-ductile transition with decreasing loading rate), and creep effects are investigated. Radiation-induced volumetric expansion (RIVE) of the aggregate cause the development and propagation of damage around the aggregate which further develops in bridging cracks across the hardened cement paste between the individual aggregate particles. The development of damage is aggravated when shrinkage occurs simultaneously with RIVE during the irradiation experiment. The post-irradiation expansion derived from the simulation is well correlated with the experimental data and, the obtained damage levels are fully consistent with previous estimations based on a micromechanical interpretation of the experimental post-irradiation elastic properties (Le Pape et al., 2015). The proposed modeling opens new perspectives for the interpretation of test reactor experiments in regards to the actual operation of light water reactors.

  11. Air Pollutant Distribution and Mesoscale Circulation Systems During Escompte

    Kottmeier, Ch.; Kalthoff, N.; Corsmeier, U.; Robin, D.; Thürauf, J.; Hofherr, T.; Hasel, M.

    The distribution of pollutants observed with an Dornier 128 instrumented aircraft and from AIRMARAIX ground stations during one day of the Escompte experiment (June 25, 2001) is analysed in relation to the mesoscale wind systems and vertical mixing from aircraft and radiosonde data. The ESCOMPTE-experiment (http://medias.obs- mip.fr/escompte) was carried out in June and July 2001 in the urban area of Marseille and its rural surroundings to investigate periods with photosmog conditions. The over- all aim is to produce an appropriate high quality 3-D data set which includes emission, meteorological, and chemical data. The data is used for the validation of mesoscale models and for chemical and meteorological process studies. The evolution of pho- tosmog episodes with high ozone concentrations depends on both chemical transfor- mation processes and meteorological conditions. As Marseille is situated between the Mediterranean Sea in the south and mountainous sites in the north, under weak large- scale flow the meteorological conditions are dominated by thermally driven circula- tion systems which strongly influence the horizontal transport of air pollutants. Ad- ditionally, vertically exchange processes like mountain venting and slope winds may contribute in the temporal evolution of the trace gas concentration of the city plume in the atmospheric boundary layer and are particularly studied by the Dornier flight measurements. Therefore the experiment was designed to measure both, the chemi- cal species and meteorological parameters with high resolution in space and time by surface stations, aircraft and vertical profiling systems like radiosondes, sodars and lidars. Results are shown (a) on the evolution of the wind field and the ozone concen- trations during June 25, when an ozone maximum develops about 60 km in the lee site of Marseille and (b) the vertical transport of air pollutants between the boundary layer and the free troposphere.

  12. Why Teach Environmental Chemistry?

    Gardner, Marjorie H.

    1974-01-01

    Discusses the importance of teaching environmental chemistry in secondary school science classes, and outlines five examples of environmental chemistry problems that focus on major concepts of chemistry and have critical implications for human survival and well-being. (JR)

  13. The Influence of Aerosol Hygroscopicity on Precipitation Intensity During a Mesoscale Convective Event

    Kawecki, Stacey; Steiner, Allison L.

    2018-01-01

    We examine how aerosol composition affects precipitation intensity using the Weather and Research Forecasting Model with Chemistry (version 3.6). By changing the prescribed default hygroscopicity values to updated values from laboratory studies, we test model assumptions about individual component hygroscopicity values of ammonium, sulfate, nitrate, and organic species. We compare a baseline simulation (BASE, using default hygroscopicity values) with four sensitivity simulations (SULF, increasing the sulfate hygroscopicity; ORG, decreasing organic hygroscopicity; SWITCH, using a concentration-dependent hygroscopicity value for ammonium; and ALL, including all three changes) to understand the role of aerosol composition on precipitation during a mesoscale convective system (MCS). Overall, the hygroscopicity changes influence the spatial patterns of precipitation and the intensity. Focusing on the maximum precipitation in the model domain downwind of an urban area, we find that changing the individual component hygroscopicities leads to bulk hygroscopicity changes, especially in the ORG simulation. Reducing bulk hygroscopicity (e.g., ORG simulation) initially causes fewer activated drops, weakened updrafts in the midtroposphere, and increased precipitation from larger hydrometeors. Increasing bulk hygroscopicity (e.g., SULF simulation) simulates more numerous and smaller cloud drops and increases precipitation. In the ALL simulation, a stronger cold pool and downdrafts lead to precipitation suppression later in the MCS evolution. In this downwind region, the combined changes in hygroscopicity (ALL) reduces the overprediction of intense events (>70 mm d-1) and better captures the range of moderate intensity (30-60 mm d-1) events. The results of this single MCS analysis suggest that aerosol composition can play an important role in simulating high-intensity precipitation events.

  14. Environmental chemistry. Seventh edition

    Manahan, S.E. [Univ. of Missouri, Columbia, MO (United States)

    1999-11-01

    This book presents a basic understanding of environmental chemistry and its applications. In addition to providing updated materials in this field, the book emphasizes the major concepts essential to the practice of environmental chemistry. Topics of discussion include the following: toxicological chemistry; toxicological chemistry of chemical substances; chemical analysis of water and wastewater; chemical analysis of wastes and solids; air and gas analysis; chemical analysis of biological materials and xenobiotics; fundamentals of chemistry; and fundamentals of organic chemistry.

  15. A Study of Mesoscale Gravity Waves over the North Atlantic with Satellite Observations and a Mesoscale Model

    Wu, Dong L.; Zhang, Fuqing

    2004-01-01

    Satellite microwave data are used to study gravity wave properties and variabilities over the northeastern United States and the North Atlantic in the December-January periods. The gravity waves in this region, found in many winters, can reach the stratopause with growing amplitude. The Advanced Microwave Sounding Unit-A (AMSU-A) observations show that the wave occurrences are correlated well with the intensity and location of the tropospheric baroclinic jet front systems. To further investigate the cause(s) and properties of the North Atlantic gravity waves, we focus on a series of wave events during 19-21 January 2003 and compare AMSU-A observations to simulations from a mesoscale model (MM5). The simulated gravity waves compare qualitatively well with the satellite observations in terms of wave structures, timing, and overall morphology. Excitation mechanisms of these large-amplitude waves in the troposphere are complex and subject to further investigations.

  16. USSR Report Chemistry

    1986-01-01

    Contents: Adsorption, Chemistry,Alkaloids, Analytical Chemistry, Catalysis,Chemical Industry,,Coal Gasification, Combustion, Electrochemistry,Explosives and Explosions, Fertilizers, Free Radicals, Inorganic...

  17. D'' Layer Activation via Tidal Dissipation: A Link Between Non-Hydrostatic Ellipticity, Non-Chondritic Heat Flux, and Non-Plume Head Generation of Flood Basalts

    Hager, B. H.; Mazarico, E.; Touma, J.; Wisdom, J.

    2003-12-01

    Quantitative understanding of Earth's heat budget has eluded a list of distinguished physicists and geochemists ranging from Lord Kelvin to Don L Anderson. The global heat flux is substantially greater than that generated by the estimated inventory of radioactive heat sources, so simple energy balance considerations demand an additional heat source. Secular cooling is commonly invoked to balance Earth's energy budget, but the required cooling rates are difficult to reconcile with both traditional convection calculations and petrologic estimates of ancient upper mantle temperatures. A non-geochemical heat source seems plausible. Indeed, Tuoma and Wisdom (Astron. J., 122, 2001) showed that tidal dissipation of rotational energy associated with resonant coupling could provide a substantial heat pulse to the CMB. D'' Layer Activation (DLA) by dumping of rotational energy could have important geodynamical consequences that we explore here. DLA could lead to a sudden (but modest) increase in the temperature of preexisting plumes, leading to a sudden increase in melt volume without the need for a troublesome plume head. The dissipation depends on non-hydrostatic CMB ellipticity, which itself is a result of mantle convection, leading to the possibility of an important feedback mechanism - DLA would lead to an increase in CMB ellipticity, further increasing the geodynamic importance of DLA.

  18. Water chemistry

    Hofstetter, K.J.; Baston, V.F.

    1986-01-01

    Prior to the accident, the coolants in the primary and secondary systems were within normal chemistry specifications for an operating pressurized water reactor with once-through steam generators. During and immediately after the accident, additional boric acid and sodium hydroxide were added to the primary coolant for control of criticality and radioiodine solubility. A primary to secondary leak developed contaminating the water in one steam generator. For about 5 years after the accident, the primary coolant was maintained at 3800 +. 100 ppm boron and 1000 +. 100 ppm sodium concentrations. Dissolved oxygen was maintained 7.5, corrosion caused by increased dissolved oxygen levels (up to 8 ppm) and higher chloride ion content (up to 5 ppm) is minimized. Chemical control of dissolved oxygen was discontinued and the coolant was processed. Prior to removal of the reactor vessel head, the boron concentration in the coolant was increased to ≅ 5000 ppm to support future defueling operations. Decontamination of the accident generated water is described in terms of contaminated water management. In addition, the decontamination and chemical lay-up conditions for the secondary system are presented along with an overview of chemical management at TMI-2

  19. Migration chemistry

    Carlsen, L.

    1992-05-01

    Migration chemistry, the influence of chemical -, biochemical - and physico-chemical reactions on the migration behaviour of pollutants in the environment, is an interplay between the actual natur of the pollutant and the characteristics of the environment, such as pH, redox conditions and organic matter content. The wide selection of possible pollutants in combination with varying geological media, as well as the operation of different chemical -, biochemical - and physico-chemical reactions compleactes the prediction of the influence of these processes on the mobility of pollutants. The report summarizes a wide range of potential pollutants in the terrestrial environment as well as a variety of chemical -, biochemical - and physico-chemical reactions, which can be expected to influence the migration behaviour, comprising diffusion, dispersion, convection, sorption/desorption, precipitation/dissolution, transformations/degradations, biochemical reactions and complex formation. The latter comprises the complexation of metal ions as well as non-polar organics to naturally occurring organic macromolecules. The influence of the single types of processes on the migration process is elucidated based on theoretical studies. The influence of chemical -, biochemical - and physico-chemical reactions on the migration behaviour is unambiguous, as the processes apparently control the transport of pollutants in the terrestrial environment. As the simple, conventional K D concept breaks down, it is suggested that the migration process should be described in terms of the alternative concepts chemical dispersion, average-elution-time and effective retention. (AB) (134 refs.)

  20. Electron tunneling in chemistry

    Zamaraev, K.I.; Khajrutdinov, R.F.; Zhdanov, V.P.; Molin, Yu.N.

    1985-01-01

    Results of experimental and theoretical investigations are outlined systematically on electron tunnelling in chemical reactions. Mechanism of electron transport to great distances is shown to be characteristic to chemical compounds of a wide range. The function of tunnel reactions is discussed for various fields of chemistry, including radiation chemistry, electrochemistry, chemistry of solids, chemistry of surface and catalysis

  1. Tools and Methods for Visualization of Mesoscale Ocean Eddies

    Bemis, K. G.; Liu, L.; Silver, D.; Kang, D.; Curchitser, E.

    2017-12-01

    Mesoscale ocean eddies form in the Gulf Stream and transport heat and nutrients across the ocean basin. The internal structure of these three-dimensional eddies and the kinematics with which they move are critical to a full understanding of their transport capacity. A series of visualization tools have been developed to extract, characterize, and track ocean eddies from 3D modeling results, to visually show the ocean eddy story by applying various illustrative visualization techniques, and to interactively view results stored on a server from a conventional browser. In this work, we apply a feature-based method to track instances of ocean eddies through the time steps of a high-resolution multidecadal regional ocean model and generate a series of eddy paths which reflect the life cycle of individual eddy instances. The basic method uses the Okubu-Weiss parameter to define eddy cores but could be adapted to alternative specifications of an eddy. Stored results include pixel-lists for each eddy instance, tracking metadata for eddy paths, and physical and geometric properties. In the simplest view, isosurfaces are used to display eddies along an eddy path. Individual eddies can then be selected and viewed independently or an eddy path can be viewed in the context of all eddy paths (longer than a specified duration) and the ocean basin. To tell the story of mesoscale ocean eddies, we combined illustrative visualization techniques, including visual effectiveness enhancement, focus+context, and smart visibility, with the extracted volume features to explore eddy characteristics at multiple scales from ocean basin to individual eddy. An evaluation by domain experts indicates that combining our feature-based techniques with illustrative visualization techniques provides an insight into the role eddies play in ocean circulation. A web-based GUI is under development to facilitate easy viewing of stored results. The GUI provides the user control to choose amongst available

  2. Mesoscale surface equivalent temperature (T E) for East Central USA

    Younger, Keri; Mahmood, Rezaul; Goodrich, Gregory; Pielke, Roger A.; Durkee, Joshua

    2018-04-01

    The purpose of this research is to investigate near surface mesoscale equivalent temperatures (T E) in Kentucky (located in east central USA) and potential land cover influences. T E is a measure of the moist enthalpy composed of the dry bulb temperature, T, and absolute humidity. Kentucky presents a unique opportunity to perform a study of this kind because of the observational infrastructure provided by the Kentucky Mesonet (www.kymesonet.org). This network maintains 69 research-grade, in-situ weather and climate observing stations across the Commonwealth. Equivalent temperatures were calculated utilizing high-quality observations from 33 of these stations. In addition, the Kentucky Mesonet offers higher spatial and temporal resolution than previous research on this topic. As expected, the differences (T E - T) were greatest in the summer (smallest in the winter), with an average of 35 °C (5 °C). In general, the differences were found to be the largest in the western climate division. This is attributed to agricultural land use and poorly drained land. These differences are smaller during periods of drought, signifying less influence of moisture.

  3. Mesoscale carbon sequestration site screening and CCS infrastructure analysis.

    Keating, Gordon N; Middleton, Richard S; Stauffer, Philip H; Viswanathan, Hari S; Letellier, Bruce C; Pasqualini, Donatella; Pawar, Rajesh J; Wolfsberg, Andrew V

    2011-01-01

    We explore carbon capture and sequestration (CCS) at the meso-scale, a level of study between regional carbon accounting and highly detailed reservoir models for individual sites. We develop an approach to CO(2) sequestration site screening for industries or energy development policies that involves identification of appropriate sequestration basin, analysis of geologic formations, definition of surface sites, design of infrastructure, and analysis of CO(2) transport and storage costs. Our case study involves carbon management for potential oil shale development in the Piceance-Uinta Basin, CO and UT. This study uses new capabilities of the CO(2)-PENS model for site screening, including reservoir capacity, injectivity, and cost calculations for simple reservoirs at multiple sites. We couple this with a model of optimized source-sink-network infrastructure (SimCCS) to design pipeline networks and minimize CCS cost for a given industry or region. The CLEAR(uff) dynamical assessment model calculates the CO(2) source term for various oil production levels. Nine sites in a 13,300 km(2) area have the capacity to store 6.5 GtCO(2), corresponding to shale-oil production of 1.3 Mbbl/day for 50 years (about 1/4 of U.S. crude oil production). Our results highlight the complex, nonlinear relationship between the spatial deployment of CCS infrastructure and the oil-shale production rate.

  4. Condensate localization by mesoscale disorder in high-Tc superconductors

    Kumar, N.

    1994-06-01

    We propose and solve approximately a phenomenological model for Anderson localization of the macroscopic wavefunction for an inhomogeneous superconductor quench-disordered on the mesoscale of the order of the coherence length ξ 0 . Our treatment is based on the non-linear Schroedinger equation resulting from the Ginzburg-Landau free-energy functional having a spatially random coefficient representing spatial disorder of the pairing interaction. Linearization of the equation, valid close to the critical temperature T c , or to the upper critical field H c2 (T c ) maps it to the Anderson localization problem with T c identified with the mobility edge. For the highly anisotropic high-T c materials and thin (2D) films in the quantum Hall geometry, we predict windows of re-entrant superconductivity centered at integrally spaced temperature values. Our model treatment also provides a possible explanation for the critical current J c perpendicular becoming non-zero on cooling before J c parallel does in some high-T c superconductors. (author). 18 refs

  5. Mobile Disdrometer Observations of Nocturnal Mesoscale Convective Systems During PECAN

    Bodine, D. J.; Rasmussen, K. L.

    2015-12-01

    Understanding microphysical processes in nocturnal mesoscale convective systems (MCSs) is an important objective of the Plains Elevated Convection At Night (PECAN) experiment, which occurred from 1 June - 15 July 2015 in the central Great Plains region of the United States. Observations of MCSs were collected using a large array of mobile and fixed instrumentation, including ground-based radars, soundings, PECAN Integrated Sounding Arrays (PISAs), and aircraft. In addition to these observations, three mobile Parsivel disdrometers were deployed to obtain drop-size distribution (DSD) measurements to further explore microphysical processes in convective and stratiform regions of nocturnal MCSs. Disdrometers were deployed within close range of a multiple frequency network of mobile and fixed dual-polarization radars (5 - 30 km range), and near mobile sounding units and PISAs. Using mobile disdrometer and multiple-wavelength, dual-polarization radar data, microphysical properties of convective and stratiform regions of MCSs are investigated. The analysis will also examine coordinated Range-Height Indicator (RHI) scans over the disdrometers to elucidate vertical DSD structure. Analysis of dense observations obtained during PECAN in combination with mobile disdrometer DSD measurements contributes to a greater understanding of the structural characteristics and evolution of nocturnal MCSs.

  6. Implementation of meso-scale radioactive dispersion model for GPU

    Sunarko [National Nuclear Energy Agency of Indonesia (BATAN), Jakarta (Indonesia). Nuclear Energy Assessment Center; Suud, Zaki [Bandung Institute of Technology (ITB), Bandung (Indonesia). Physics Dept.

    2017-05-15

    Lagrangian Particle Dispersion Method (LPDM) is applied to model atmospheric dispersion of radioactive material in a meso-scale of a few tens of kilometers for site study purpose. Empirical relationships are used to determine the dispersion coefficient for various atmospheric stabilities. Diagnostic 3-D wind-field is solved based on data from one meteorological station using mass-conservation principle. Particles representing radioactive pollutant are dispersed in the wind-field as a point source. Time-integrated air concentration is calculated using kernel density estimator (KDE) in the lowest layer of the atmosphere. Parallel code is developed for GTX-660Ti GPU with a total of 1 344 scalar processors using CUDA. A test of 1-hour release discovers that linear speedup is achieved starting at 28 800 particles-per-hour (pph) up to about 20 x at 14 4000 pph. Another test simulating 6-hour release with 36 000 pph resulted in a speedup of about 60 x. Statistical analysis reveals that resulting grid doses are nearly identical in both CPU and GPU versions of the code.

  7. 2D mesoscale colloidal crystal patterns on polymer substrates

    Bredikhin, Vladimir; Bityurin, Nikita

    2018-05-01

    The development of nanosphere lithography relies on the ability of depositing 2D colloidal crystals comprising micro- and nano-size elements on substrates of different materials. One of the most difficult problems here is deposition of coatings on hydrophobic substrates, e.g. polymers, from aqueous colloidal solutions. We use UV photooxidation for substrate hydrophilization. We demonstrate a new method of producing a two-dimensional ordered array of polymer microparticles (polystyrene microspheres ∼1 μm in diameter) on a polymer substrate (PMMA). We show that implementation of the new deposition technique for directed self-assembly of microspheres on an UV irradiated surface provides an opportunity to obtain coatings on a hydrophilized PMMA surface of large area (∼5 cm2). UV irradiation of the surface through masks allows creating 2D patterns consisting of mesoscale elements formed by the deposited self-assembled microparticles owing to the fact that the colloidal particles are deposited only on the irradiated area leaving the non-irradiated sections intact.

  8. Investigating Mesoscale Convective Systems and their Predictability Using Machine Learning

    Daher, H.; Duffy, D.; Bowen, M. K.

    2016-12-01

    A mesoscale convective system (MCS) is a thunderstorm region that lasts several hours long and forms near weather fronts and can often develop into tornadoes. Here we seek to answer the question of whether these tornadoes are "predictable" by looking for a defining characteristic(s) separating MCSs that evolve into tornadoes versus those that do not. Using NASA's Modern Era Retrospective-analysis for Research and Applications 2 reanalysis data (M2R12K), we apply several state of the art machine learning techniques to investigate this question. The spatial region examined in this experiment is Tornado Alley in the United States over the peak tornado months. A database containing select variables from M2R12K is created using PostgreSQL. This database is then analyzed using machine learning methods such as Symbolic Aggregate approXimation (SAX) and DBSCAN (an unsupervised density-based data clustering algorithm). The incentive behind using these methods is to mathematically define a MCS so that association rule mining techniques can be used to uncover some sort of signal or teleconnection that will help us forecast which MCSs will result in tornadoes and therefore give society more time to prepare and in turn reduce casualties and destruction.

  9. Modeling of Mesoscale Variability in Biofilm Shear Behavior.

    Pallab Barai

    Full Text Available Formation of bacterial colonies as biofilm on the surface/interface of various objects has the potential to impact not only human health and disease but also energy and environmental considerations. Biofilms can be regarded as soft materials, and comprehension of their shear response to external forces is a key element to the fundamental understanding. A mesoscale model has been presented in this article based on digitization of a biofilm microstructure. Its response under externally applied shear load is analyzed. Strain stiffening type behavior is readily observed under high strain loads due to the unfolding of chains within soft polymeric substrate. Sustained shear loading of the biofilm network results in strain localization along the diagonal direction. Rupture of the soft polymeric matrix can potentially reduce the intercellular interaction between the bacterial cells. Evolution of stiffness within the biofilm network under shear reveals two regimes: a initial increase in stiffness due to strain stiffening of polymer matrix, and b eventual reduction in stiffness because of tear in polymeric substrate.

  10. MICRO-SEISMOMETERS VIA ADVANCED MESO-SCALE FABRICATION

    Garcia, Caesar A; Onaran, Guclu; Avenson, Brad; Hall, Neal

    2014-11-07

    The Department of Energy (DOE) and the National Nuclear Security Administration (NNSA) seek revolutionary sensing innovations for the monitoring of nuclear detonations. Performance specifications are to be consistent with those obtainable by only an elite few products available today, but with orders of magnitude reduction in size, weight, power, and cost. The proposed commercial innovation calls upon several technologies including the combination of meso-scale fabrication and assembly, photonics-based displacement / motion detection methods, and the use of digital control electronics . Early Phase II development has demonstrated verified and repeatable sub 2ng noise floor from 3Hz to 100Hz, compact integration of 3-axis prototypes, and robust deployment exercises. Ongoing developments are focusing on low frequency challenges, low power consumption, ultra-miniature size, and low cross axis sensitivity. We are also addressing the rigorous set of specifications required for repeatable and reliable long-term explosion monitoring, including thermal stability, reduced recovery time from mass re-centering and large mechanical shocks, sensitivity stability, and transportability. Successful implementation will result in small, hand-held demonstration units with the ability to address national security needs of the DOE/NNSA. Additional applications envisioned include military/defense, scientific instrumentation, oil and gas exploration, inertial navigation, and civil infrastructure monitoring.

  11. Flame dynamics of a meso-scale heat recirculating combustor

    Vijayan, V.; Gupta, A.K. [Department of Mechanical Engineering, University of Maryland, College Park, MD 20742 (United States)

    2010-12-15

    The dynamics of premixed propane-air flame in a meso-scale ceramic combustor has been examined here. The flame characteristics in the combustor were examined by measuring the acoustic emissions and preheat temperatures together with high-speed cinematography. For the small-scale combustor, the volume to surface area ratio is small and hence the walls have significant effect on the global flame structure, flame location and flame dynamics. In addition to the flame-wall thermal coupling there is a coupling between flame and acoustics in the case of confined flames. Flame-wall thermal interactions lead to low frequency flame fluctuations ({proportional_to}100 Hz) depending upon the thermal response of the wall. However, the flame-acoustic interactions can result in a wide range of flame fluctuations ranging from few hundred Hz to few kHz. Wall temperature distribution is one of the factors that control the amount of reactant preheating which in turn effects the location of flame stabilization. Acoustic emission signals and high-speed flame imaging confirmed that for the present case flame-acoustic interactions have more significant effect on flame dynamics. Based on the acoustic emissions, five different flame regimes have been identified; whistling/harmonic mode, rich instability mode, lean instability mode, silent mode and pulsating flame mode. (author)

  12. Analysis of Surface Heterogeneity Effects with Mesoscale Terrestrial Modeling Platforms

    Simmer, C.

    2015-12-01

    An improved understanding of the full variability in the weather and climate system is crucial for reducing the uncertainty in weather forecasting and climate prediction, and to aid policy makers to develop adaptation and mitigation strategies. A yet unknown part of uncertainty in the predictions from the numerical models is caused by the negligence of non-resolved land surface heterogeneity and the sub-surface dynamics and their potential impact on the state of the atmosphere. At the same time, mesoscale numerical models using finer horizontal grid resolution [O(1)km] can suffer from inconsistencies and neglected scale-dependencies in ABL parameterizations and non-resolved effects of integrated surface-subsurface lateral flow at this scale. Our present knowledge suggests large-eddy-simulation (LES) as an eventual solution to overcome the inadequacy of the physical parameterizations in the atmosphere in this transition scale, yet we are constrained by the computational resources, memory management, big-data, when using LES for regional domains. For the present, there is a need for scale-aware parameterizations not only in the atmosphere but also in the land surface and subsurface model components. In this study, we use the recently developed Terrestrial Systems Modeling Platform (TerrSysMP) as a numerical tool to analyze the uncertainty in the simulation of surface exchange fluxes and boundary layer circulations at grid resolutions of the order of 1km, and explore the sensitivity of the atmospheric boundary layer evolution and convective rainfall processes on land surface heterogeneity.

  13. Understanding Mesoscale Land-Atmosphere Interactions in Arctic Region

    Hong, X.; Wang, S.; Nachamkin, J. E.

    2017-12-01

    Land-atmosphere interactions in Arctic region are examined using the U.S. Navy Coupled Ocean/Atmosphere Mesoscale Prediction System (COAMPS©*) with the Noah Land Surface Model (LSM). Initial land surface variables in COAMPS are interpolated from the real-time NASA Land Information System (LIS). The model simulations are configured for three nest grids with 27-9-3 km horizontal resolutions. The simulation period is set for October 2015 with 12-h data assimilation update cycle and 24-h integration length. The results are compared with those simulated without using LSM and evaluated with observations from ONR Sea State R/V Sikuliaq cruise and the North Slope of Alaska (NSA). There are complex soil and vegetation types over the surface for simulation with LSM, compared to without LSM simulation. The results show substantial differences in surface heat fluxes between bulk surface scheme and LSM, which may have an important impact on the sea ice evolution over the Arctic region. Evaluations from station data show surface air temperature and relative humidity have smaller biases for simulation using LSM. Diurnal variation of land surface temperature, which is necessary for physical processes of land-atmosphere, is also better captured than without LSM.

  14. Green chemistry: A tool in Pharmaceutical Chemistry

    Smita Talaviya; Falguni Majumdar

    2012-01-01

    Green chemistry expresses an area of research developing from scientific discoveries about pollution awareness and it utilizes a set of principles that reduces or eliminates the use or generation of hazardous substances in all steps of particular synthesis or process. Chemists and medicinal scientists can greatly reduce the risk to human health and the environment by following all the valuable principles of green chemistry. The most simple and direct way to apply green chemistry in pharmaceut...

  15. From hot atom chemistry to epithermal chemistry

    Roessler, K.

    2004-01-01

    The rise and fall of hot atom chemistry (HAC) over the years from 1934 to 2004 is reviewed. Several applications are discussed, in particular to astrophysics and the interaction of energetic ions and atoms in space. Epithermal chemistry (ETC) is proposed to substitute the old name, since it better fits the energy range as well as the non-thermal and non-equilibrium character of the reactions. ETC also avoids the strong connexion of HAC to nuclear chemistry and stands for the opening of the field to physical chemistry and astrophysics. (orig.)

  16. The latest general chemistry

    Ryu, Geun Bae; Choi, Se Yeong; Kim, Chin Yeong; Yoon, Gil Jung; Lee, Eun Seok; Seo, Moon Gyu

    1995-02-01

    This book deals with the latest general chemistry, which is comprised of twenty-three chapters, the contents of this book are introduction, theory of atoms and molecule, chemical formula and a chemical reaction formula, structure of atoms, nature of atoms and the periodic table, structure of molecule and spectrum, gas, solution, solid, chemical combination, chemical reaction speed, chemical equilibrium, thermal chemistry, oxidation-reduction, electrochemistry, acid-base, complex, aquatic chemistry, air chemistry, nuclear chemistry, metal and nonmetal, organic chemistry and biochemistry. It has exercise in the end of each chapter.

  17. Constitutional dynamic chemistry: bridge from supramolecular chemistry to adaptive chemistry.

    Lehn, Jean-Marie

    2012-01-01

    Supramolecular chemistry aims at implementing highly complex chemical systems from molecular components held together by non-covalent intermolecular forces and effecting molecular recognition, catalysis and transport processes. A further step consists in the investigation of chemical systems undergoing self-organization, i.e. systems capable of spontaneously generating well-defined functional supramolecular architectures by self-assembly from their components, thus behaving as programmed chemical systems. Supramolecular chemistry is intrinsically a dynamic chemistry in view of the lability of the interactions connecting the molecular components of a supramolecular entity and the resulting ability of supramolecular species to exchange their constituents. The same holds for molecular chemistry when the molecular entity contains covalent bonds that may form and break reversibility, so as to allow a continuous change in constitution by reorganization and exchange of building blocks. These features define a Constitutional Dynamic Chemistry (CDC) on both the molecular and supramolecular levels.CDC introduces a paradigm shift with respect to constitutionally static chemistry. The latter relies on design for the generation of a target entity, whereas CDC takes advantage of dynamic diversity to allow variation and selection. The implementation of selection in chemistry introduces a fundamental change in outlook. Whereas self-organization by design strives to achieve full control over the output molecular or supramolecular entity by explicit programming, self-organization with selection operates on dynamic constitutional diversity in response to either internal or external factors to achieve adaptation.The merging of the features: -information and programmability, -dynamics and reversibility, -constitution and structural diversity, points to the emergence of adaptive and evolutive chemistry, towards a chemistry of complex matter.

  18. Upscale Impact of Mesoscale Disturbances of Tropical Convection on Convectively Coupled Kelvin Waves

    Yang, Q.; Majda, A.

    2017-12-01

    Tropical convection associated with convectively coupled Kelvin waves (CCKWs) is typically organized by an eastward-moving synoptic-scale convective envelope with numerous embedded westward-moving mesoscale disturbances. It is of central importance to assess upscale impact of mesoscale disturbances on CCKWs as mesoscale disturbances propagate at various tilt angles and speeds. Here a simple multi-scale model is used to capture this multi-scale structure, where mesoscale fluctuations are directly driven by mesoscale heating and synoptic-scale circulation is forced by mean heating and eddy transfer of momentum and temperature. The two-dimensional version of the multi-scale model drives the synoptic-scale circulation, successfully reproduces key features of flow fields with a front-to-rear tilt and compares well with results from a cloud resolving model. In the scenario with an elevated upright mean heating, the tilted vertical structure of synoptic-scale circulation is still induced by the upscale impact of mesoscale disturbances. In a faster propagation scenario, the upscale impact becomes less important, while the synoptic-scale circulation response to mean heating dominates. In the unrealistic scenario with upward/westward tilted mesoscale heating, positive potential temperature anomalies are induced in the leading edge, which will suppress shallow convection in a moist environment. In its three-dimensional version, results show that upscale impact of mesoscale disturbances that propagate at tilt angles (110o 250o) induces negative lower-tropospheric potential temperature anomalies in the leading edge, providing favorable conditions for shallow convection in a moist environment, while the remaining tilt angle cases have opposite effects. Even in the presence of upright mean heating, the front-to-rear tilted synoptic-scale circulation can still be induced by eddy terms at tilt angles (120o 240o). In the case with fast propagating mesoscale heating, positive

  19. Probabilistic flood damage modelling at the meso-scale

    Kreibich, Heidi; Botto, Anna; Schröter, Kai; Merz, Bruno

    2014-05-01

    Decisions on flood risk management and adaptation are usually based on risk analyses. Such analyses are associated with significant uncertainty, even more if changes in risk due to global change are expected. Although uncertainty analysis and probabilistic approaches have received increased attention during the last years, they are still not standard practice for flood risk assessments. Most damage models have in common that complex damaging processes are described by simple, deterministic approaches like stage-damage functions. Novel probabilistic, multi-variate flood damage models have been developed and validated on the micro-scale using a data-mining approach, namely bagging decision trees (Merz et al. 2013). In this presentation we show how the model BT-FLEMO (Bagging decision Tree based Flood Loss Estimation MOdel) can be applied on the meso-scale, namely on the basis of ATKIS land-use units. The model is applied in 19 municipalities which were affected during the 2002 flood by the River Mulde in Saxony, Germany. The application of BT-FLEMO provides a probability distribution of estimated damage to residential buildings per municipality. Validation is undertaken on the one hand via a comparison with eight other damage models including stage-damage functions as well as multi-variate models. On the other hand the results are compared with official damage data provided by the Saxon Relief Bank (SAB). The results show, that uncertainties of damage estimation remain high. Thus, the significant advantage of this probabilistic flood loss estimation model BT-FLEMO is that it inherently provides quantitative information about the uncertainty of the prediction. Reference: Merz, B.; Kreibich, H.; Lall, U. (2013): Multi-variate flood damage assessment: a tree-based data-mining approach. NHESS, 13(1), 53-64.

  20. Tropical continental downdraft characteristics: mesoscale systems versus unorganized convection

    Schiro, Kathleen A.; Neelin, J. David

    2018-02-01

    Downdrafts and cold pool characteristics for strong mesoscale convective systems (MCSs) and isolated, unorganized deep precipitating convection are analyzed using multi-instrument data from the DOE Atmospheric Radiation Measurement (ARM) GoAmazon2014/5 campaign. Increases in column water vapor (CWV) are observed leading convection, with higher CWV preceding MCSs than for isolated cells. For both MCSs and isolated cells, increases in wind speed, decreases in surface moisture and temperature, and increases in relative humidity occur coincidentally with system passages. Composites of vertical velocity data and radar reflectivity from a radar wind profiler show that the downdrafts associated with the sharpest decreases in surface equivalent potential temperature (θe) have a probability of occurrence that increases with decreasing height below the freezing level. Both MCSs and unorganized convection show similar mean downdraft magnitudes and probabilities with height. Mixing computations suggest that, on average, air originating at heights greater than 3 km must undergo substantial mixing, particularly in the case of isolated cells, to match the observed cold pool θe, implying a low typical origin level. Precipitation conditionally averaged on decreases in surface equivalent potential temperature (Δθe) exhibits a strong relationship because the most negative Δθe values are associated with a high probability of precipitation. The more physically motivated conditional average of Δθe on precipitation shows that decreases in θe level off with increasing precipitation rate, bounded by the maximum difference between surface θe and its minimum in the profile aloft. Robustness of these statistics observed across scales and regions suggests their potential use as model diagnostic tools for the improvement of downdraft parameterizations in climate models.

  1. Initializing a Mesoscale Boundary-Layer Model with Radiosonde Observations

    Berri, Guillermo J.; Bertossa, Germán

    2018-01-01

    A mesoscale boundary-layer model is used to simulate low-level regional wind fields over the La Plata River of South America, a region characterized by a strong daily cycle of land-river surface-temperature contrast and low-level circulations of sea-land breeze type. The initial and boundary conditions are defined from a limited number of local observations and the upper boundary condition is taken from the only radiosonde observations available in the region. The study considers 14 different upper boundary conditions defined from the radiosonde data at standard levels, significant levels, level of the inversion base and interpolated levels at fixed heights, all of them within the first 1500 m. The period of analysis is 1994-2008 during which eight daily observations from 13 weather stations of the region are used to validate the 24-h surface-wind forecast. The model errors are defined as the root-mean-square of relative error in wind-direction frequency distribution and mean wind speed per wind sector. Wind-direction errors are greater than wind-speed errors and show significant dispersion among the different upper boundary conditions, not present in wind speed, revealing a sensitivity to the initialization method. The wind-direction errors show a well-defined daily cycle, not evident in wind speed, with the minimum at noon and the maximum at dusk, but no systematic deterioration with time. The errors grow with the height of the upper boundary condition level, in particular wind direction, and double the errors obtained when the upper boundary condition is defined from the lower levels. The conclusion is that defining the model upper boundary condition from radiosonde data closer to the ground minimizes the low-level wind-field errors throughout the region.

  2. Observations of near-inertial kinetic energy inside mesoscale eddies.

    Garcia Gomez, B. I.; Pallas Sanz, E.; Candela, J.

    2016-02-01

    The near-nertial oscillations (NIOs), generated by the wind stress on the surface mixed layer, are the inertia gravity waves with the lowest frequency and the highest kinetic energy. NIOs are important because they drive vertical mixing in the interior ocean during wave breaking events. Although the interaction between NIOs and mesoescale eddies has been reported by several authors, these studies are mostly analytical and numerical, and only few observational studies have attempted to show the differences in near-inertial kinetic energy (KEi) between anticyclonic and cyclonic eddies. In this work the spatial structure of the KEi inside the mesoscale eddies is computed using daily satellite altimetry and observations of horizontal velocity from 30 moorings equipped with acoustic Doppler current profilers in the western Gulf of Mexico. Consistent to theory, the obtained four-year KEi-composites show two times more KEi inside the anticyclonic eddies than inside the cyclonic ones. The vertical cross-sections of the KEi-composites show that the KEi is mainly located near the surface and at the edge of the cyclonic eddies (positive vorticity), whereas the KEi in anticyclonic eddies (negative vorticity) is maximum in the eddy's center and near to the base of the eddy where the NIOs become more inertial, are trapped, and amplified. A relative maximum in the upper anticyclonic eddy is also observed. The cyclonic eddies present a maximum of KEi near to the surface at 70 m, while the maximum of KEi in the anticyclonic eddies occurs between 800 and 1000 m. It is also shown the dependence between the distribution and magnitude of the KEi and the eddy's characteristics such as radius, vorticity, and amplitude.

  3. An Observational Study of the Mesoscale Mistral Dynamics

    Guenard, Vincent; Drobinski, Philippe; Caccia, Jean-Luc; Campistron, Bernard; Bench, Bruno

    2005-05-01

    We investigate the mesoscale dynamics of the mistral through the wind profiler observations of the MAP (autumn 1999) and ESCOMPTE (summer 2001) field campaigns. We show that the mistral wind field can dramatically change on a time scale less than 3 hours. Transitions from a deep to a shallow mistral are often observed at any season when the lower layers are stable. The variability, mainly attributed in summer to the mistral/land-sea breeze interactions on a 10-km scale, is highlighted by observations from the wind profiler network set up during ESCOMPTE. The interpretations of the dynamical mistral structure are performed through comparisons with existing basic theories. The linear theory of R. B. Smith [ Advances in Geophysics, Vol. 31, 1989, Academic Press, 1-41] and the shallow water theory [Schär, C. and Smith, R. B.: 1993a, J. Atmos. Sci. 50, 1373-1400] give some complementary explanations for the deep-to-shallow transition especially for the MAP mistral event. The wave breaking process induces a low-level jet (LLJ) downstream of the Alps that degenerates into a mountain wake, which in turn provokes the cessation of the mistral downstream of the Alps. Both theories indicate that the flow splits around the Alps and results in a persistent LLJ at the exit of the Rhône valley. The LLJ is strengthened by the channelling effect of the Rhône valley that is more efficient for north-easterly than northerly upstream winds despite the north-south valley axis. Summer moderate and weak mistral episodes are influenced by land-sea breezes and convection over land that induce a very complex interaction that cannot be accurately described by the previous theories.

  4. Mesoscale Modeling of Smoke Particles Distribution and Their Radiative Feedback over Northern Sub-Saharan African Region

    Yue, Y.; Wang, J.; Ichoku, C. M.; Ellison, L.

    2015-12-01

    Stretching from southern boundary of Sahara to the equator and expanding west to east from Atlantic Ocean coasts to the India Ocean coasts, the northern sub-Saharan African (NSSA) region has been subject to intense biomass burning. Comprised of savanna, shrub, tropical forest and a number of agricultural crops, the extensive fires burn belt covers central and south of NSSA during dry season (from October to March) contributes to one of the highest biomass burning rate per km2 in the world. Due to smoke particles' absorption effects of solar radiation, they can modify the surface and atmosphere temperature and thus change atmospheric stability, height of the boundary layer, regional atmospheric circulation, evaporation rate, cloud formation, and precipitation. Hence, smoke particles emitted from biomass burning over NSSA region has a significant influence to the air quality, weather and climate variability. In this study, the first version of this Fire Energetics and Emissions Research (FEER.v1) emissions of several smoke constituents including light-absorbing organic carbon (OC) and black carbon (BC) are applied to a state-of-science meteorology-chemistry model as NOAA Weather Research and Forecasting Model with Chemistry (WRF-Chem). We analyzed WRF-Chem simulations of surface and vertical distribution of various pollutants and their direct radiative effects in conjunction with satellite observation data from Moderate Resolution Imaging Spectroradiometer (MODIS) and Cloud-Aerosol Lidar data with Orthogonal Polarization (CALIPSO) to strengthen the importance of combining space measured emission products like FEER.v1 emission inventory with mesoscale model over intense biomass burning region, especially in area where ground-based air-quality and radiation-related observations are limited or absent.

  5. Comparison of methods for the identification of mesoscale wind speed fluctuations

    Anna Rieke Mehrens

    2017-06-01

    Full Text Available Mesoscale wind speed fluctuations influence the characteristics of offshore wind energy. These recurring wind speed changes on time scales between tens of minutes and six hours lead to power output fluctuations. In order to investigate the meteorological conditions associated with mesoscale wind speed fluctuations, a measure is needed to detect these situations in wind speed time series. Previous studies used the empirical Hilbert-Huang Transform to determine the energy in the mesoscale frequency range or calculated the standard deviation of a band-pass filtered wind speed time series. The aim of this paper is to introduce newly developed empirical mesoscale fluctuation measures and to compare them with existing measures in regard to their sensitivity to recurring wind speed changes. One of the methods is based on the Hilbert-Huang Transform, two on the Fast Fourier Transform and one on wind speed increments. It is found that despite various complexity of the methods, all methods can identify days with highly variable mesoscale wind speeds equally well.

  6. Mesoscale brain explorer, a flexible python-based image analysis and visualization tool.

    Haupt, Dirk; Vanni, Matthieu P; Bolanos, Federico; Mitelut, Catalin; LeDue, Jeffrey M; Murphy, Tim H

    2017-07-01

    Imaging of mesoscale brain activity is used to map interactions between brain regions. This work has benefited from the pioneering studies of Grinvald et al., who employed optical methods to image brain function by exploiting the properties of intrinsic optical signals and small molecule voltage-sensitive dyes. Mesoscale interareal brain imaging techniques have been advanced by cell targeted and selective recombinant indicators of neuronal activity. Spontaneous resting state activity is often collected during mesoscale imaging to provide the basis for mapping of connectivity relationships using correlation. However, the information content of mesoscale datasets is vast and is only superficially presented in manuscripts given the need to constrain measurements to a fixed set of frequencies, regions of interest, and other parameters. We describe a new open source tool written in python, termed mesoscale brain explorer (MBE), which provides an interface to process and explore these large datasets. The platform supports automated image processing pipelines with the ability to assess multiple trials and combine data from different animals. The tool provides functions for temporal filtering, averaging, and visualization of functional connectivity relations using time-dependent correlation. Here, we describe the tool and show applications, where previously published datasets were reanalyzed using MBE.

  7. Toward the use of a mesoscale model at a very high resolution

    Gasset, N.; Benoit, R.; Masson, C. [Canada Research Chair on Nordic Environment Aerodynamics of Wind Turbines, Ottawa, ON (Canada)

    2008-07-01

    This presentation described a new compressible mesoscale model designed to obtain wind speed data for potential wind power resource development. Microscale modelling and computerized fluid dynamics (CFD) are used to study the mean properties of the surface layer of the atmospheric boundary layer (ABL). Mesoscale models study the temporal evolution of synoptic to mesoscale atmospheric phenomena and environmental modelling. Mesoscale modelling is essential for wind energy applications and large-scale resource evaluation, and can be compared with microscale models in order to validate input data and determine boundary conditions. The compressible community mesoscale model (MC2) was comprised of a national weather prediction (NWP) model with semi-implicit semi-Lagrangian (SISL) dynamics and compressible Euler equation solutions. Physical parameters included radiations; microphysics; thermal stratification; turbulence; and convection. The turbulence diffusion feature included unsteady Reynolds averaged Navier-Stokes; transport equations for turbulent kinetic energy; and mixing lengths. Operating modes included 3-D weather data, and surface and ground properties as well as 1-way self-nesting abilities. The validation framework for the model included a simulation of a set of realistic cases and theoretical cases including full dynamics and physics. Theoretical cases included manually imposed initial and boundary conditions and minimalist physics. Further research is being conducted to refine operating modes and boundary conditions. tabs., figs.

  8. Advanced Chemistry Laboratory

    Federal Laboratory Consortium — Description/History: Chemistry laboratoryThe Advanced Chemistry Laboratory (ACL) is a unique facility designed for working with the most super toxic compounds known...

  9. Electrostatics in Chemistry

    fundamental concepts of electrostatics as applied to atoms and molecules. The electric ... chemistry, the chemistry of the covalent bond, deals with the structures ..... the position of an asteroid named Ceres ... World Scientific. Singapore, 1992.

  10. Preparative radiation chemistry

    Drawe, H.

    1978-01-01

    Preparative synthesis of compounds with the aid of radiation chemistry is increasingly used in laboratories as well as on a technical scale. A large number of new compounds has been produced with the methods of radiation chemistry. With the increasing number of available radiation sources, also the number of synthesis metods in radiation chemistry has increased. This paper can only briefly mention the many possible ways of synthesis in radiation chemistry. (orig./HK) [de

  11. USSR Report Chemistry

    1986-01-01

    THIS REPORT CONTAINS FOREIGN MEDIA INFORMATION FROM THE USSR CONCERNING Adsorption, Alkaloids, ANALYTICAL CHEMISTRY, CATALYSIS, ELECTROCHEMISTRY, Fertilizers, INORGANIC COMPOUNDS, ORGANOPHOSPHOROUS...

  12. Frontiers in Gold Chemistry

    Ahmed A. Mohamed

    2015-01-01

    Basic chemistry of gold tells us that it can bond to sulfur, phosphorous, nitrogen, and oxygen donor ligands. The Frontiers in Gold Chemistry Special Issue covers gold complexes bonded to the different donors and their fascinating applications. This issue covers both basic chemistry studies of gold complexes and their contemporary applications in medicine, materials chemistry, and optical sensors. There is a strong belief that aurophilicity plays a major role in the unending applications of g...

  13. Organic chemistry experiment

    Mun, Seok Sik

    2005-02-01

    This book deals with organic chemistry experiments, it is divided five chapters, which have introduction, the way to write the experiment report and safety in the laboratory, basic experiment technic like recrystallization and extraction, a lot of organic chemistry experiments such as fischer esterification, ester hydrolysis, electrophilic aromatic substitution, aldol reaction, benzoin condensation, wittig reaction grignard reaction, epoxidation reaction and selective reduction. The last chapter introduces chemistry site on the internet and way to find out reference on chemistry.

  14. Analytical chemistry instrumentation

    Laing, W.R.

    1986-01-01

    In nine sections, 48 chapters cover 1) analytical chemistry and the environment 2) environmental radiochemistry 3) automated instrumentation 4) advances in analytical mass spectrometry 5) fourier transform spectroscopy 6) analytical chemistry of plutonium 7) nuclear analytical chemistry 8) chemometrics and 9) nuclear fuel technology

  15. Fundamentals of nuclear chemistry

    Majer, V.

    1982-01-01

    The author of the book has had 25 years of experience at the Nuclear Chemistry of Prague Technical University. In consequence, the book is intended as a basic textbook for students of this field. Its main objectives are an easily understandable presentation of the complex subject and in spite of the uncertainty which still characterizes the definition and subjects of nuclear chemistry - a systematic classification and logical structure. Contents: 1. Introduction (history and definition); 2. General nuclear chemistry (physical fundamentals, hot atom chemistry, interaction of nuclear radiation with matter, radioactive elements, isotope effects, isotope exchange, chemistry of radioactive trace elements); 3. Methods of nuclear chemistry of nuclear chemistry (radiochemical methods, activation, separation and enrichment chemistry); 4. Preparative nuclear chemistry (isotope production, labelled compounds); 5. Analytival nuclear chemistry; 6. Applied nuclear chemistry (isotope applications in general physical and analytical chemistry). The book is supplemented by an annex with tables, a name catalogue and a subject index which will facilitate access to important information. (RB) [de

  16. Thermally forced mesoscale atmospheric flow over complex terrain in Southern Italy

    Baldi, M.; Colacino, M.; Dalu, G. A.; Piervitali, E.; Ye, Z.

    1998-01-01

    In this paper the Authors discuss some results concerning the analysis of the local atmospheric flow over the southern part of Italy, the peninsula of Calabria, using a mesoscale numerical model. Our study is focused on two different but related topics: a detailed analysis of the meteorology and climate of the region based on a data collection, reported in Colacino et al., 'Elementi di Climatologia della Calabria', edited by A. Guerrini, in the series P. S., 'Clima, Ambiente e Territorio nel Mezzogiorno' (CNR, Rome) 1997, pp. 218, and an analysis of the results based on the simulated flow produced using a mesoscale numerical model. The Colorado State University mesoscale numerical model has been applied to study several different climatic situations of particular interest for the region, as discussed in this paper

  17. EMMA model: an advanced operational mesoscale air quality model for urban and regional environments

    Jose, R.S.; Rodriguez, M.A.; Cortes, E.; Gonzalez, R.M.

    1999-01-01

    Mesoscale air quality models are an important tool to forecast and analyse the air quality in regional and urban areas. In recent years an increased interest has been shown by decision makers in these types of software tools. The complexity of such a model has grown exponentially with the increase of computer power. Nowadays, medium workstations can run operational versions of these modelling systems successfully. Presents a complex mesoscale air quality model which has been installed in the Environmental Office of the Madrid community (Spain) in order to forecast accurately the ozone, nitrogen dioxide and sulphur dioxide air concentrations in a 3D domain centred on Madrid city. Describes the challenging scientific matters to be solved in order to develop an operational version of the atmospheric mesoscale numerical pollution model for urban and regional areas (ANA). Some encouraging results have been achieved in the attempts to improve the accuracy of the predictions made by the version already installed. (Author)

  18. Thermally forced mesoscale atmospheric flow over complex terrain in Southern Italy

    Baldi, M.; Colacino, M.; Dalu, G. A.; Piervitali, E.; Ye, Z. [CNR, Rome (Italy). Ist. di Fisica dell`Atmosfera

    1998-07-01

    In this paper the Authors discuss some results concerning the analysis of the local atmospheric flow over the southern part of Italy, the peninsula of Calabria, using a mesoscale numerical model. Our study is focused on two different but related topics: a detailed analysis of the meteorology and climate of the region based on a data collection, reported in Colacino et al., `Elementi di Climatologia della Calabria`, edited by A. Guerrini, in the series P. S., `Clima, Ambiente e Territorio nel Mezzogiorno` (CNR, Rome) 1997, pp. 218, and an analysis of the results based on the simulated flow produced using a mesoscale numerical model. The Colorado State University mesoscale numerical model has been applied to study several different climatic situations of particular interest for the region, as discussed in this paper.

  19. American Association for Clinical Chemistry

    ... Find the answer to your question IN CLINICAL CHEMISTRY Hs-cTnI as a Gatekeeper for Further Cardiac ... Online Harmonization.net Commission on Accreditation in Clinical Chemistry American Board of Clinical Chemistry Clinical Chemistry Trainee ...

  20. The influence of mesoscale porosity on cortical bone anisotropy. Investigations via asymptotic homogenization

    Parnell, William J; Grimal, Quentin

    2008-01-01

    Recently, the mesoscale of cortical bone has been given particular attention in association with novel experimental techniques such as nanoindentation, micro-computed X-ray tomography and quantitative scanning acoustic microscopy (SAM). A need has emerged for reliable mathematical models to interpret the related microscopic and mesoscopic data in terms of effective elastic properties. In this work, a new model of cortical bone elasticity is developed and used to assess the influence of mesoscale porosity on the induced anisotropy of the material. Only the largest pores (Haversian canals and resorption cavities), characteristic of the mesoscale, are considered. The input parameters of the model are derived from typical mesoscale experimental data (e.g. SAM data). We use the method of asymptotic homogenization to determine the local effective elastic properties by modelling the propagation of low-frequency elastic waves through an idealized material that models the local mesostructure. We use a novel solution of the cell problem developed by Parnell & Abrahams. This solution is stable for the physiological range of variation of mesoscopic porosity and elasticity found in bone. Results are computed efficiently (in seconds) and the solutions can be implemented easily by other workers. Parametric studies are performed in order to assess the influence of mesoscopic porosity, the assumptions regarding the material inside the mesoscale pores (drained or undrained bone) and the shape of pores. Results are shown to be in good qualitative agreement with existing schemes and we describe the potential of the scheme for future use in modelling more complex microstructures for cortical bone. In particular, the scheme is shown to be a useful tool with which to predict the qualitative changes in anisotropy due to variations in the structure at the mesoscale. PMID:18628200

  1. The New Color of Chemistry: Green Chemistry

    Zuhal GERÇEK

    2012-01-01

    Full Text Available Green chemistry which is the new application of chemistry rules provides solutions to problems that mankind is faced with climate changes, sustainable agriculture, energy, toxics, depletion of natural sources e.g. designing new chemicals and processes that production and utilization of hazardous matters. So, it is the indispensible tool for sustainable development. Current and future chemists should consider the human health and ecological issues in their professional life. In order to provide a solution for this requirement, green chemistry rules and under standings should be primarily taken in the university curriculum and at all educational levels.

  2. Surface chemistry essentials

    Birdi, K S

    2013-01-01

    Surface chemistry plays an important role in everyday life, as the basis for many phenomena as well as technological applications. Common examples range from soap bubbles, foam, and raindrops to cosmetics, paint, adhesives, and pharmaceuticals. Additional areas that rely on surface chemistry include modern nanotechnology, medical diagnostics, and drug delivery. There is extensive literature on this subject, but most chemistry books only devote one or two chapters to it. Surface Chemistry Essentials fills a need for a reference that brings together the fundamental aspects of surface chemistry w

  3. Fundamentals of reactor chemistry

    Akatsu, Eiko

    1981-12-01

    In the Nuclear Engineering School of JAERI, many courses are presented for the people working in and around the nuclear reactors. The curricula of the courses contain also the subject material of chemistry. With reference to the foreign curricula, a plan of educational subject material of chemistry in the Nuclear Engineering School of JAERI was considered, and the fundamental part of reactor chemistry was reviewed in this report. Since the students of the Nuclear Engineering School are not chemists, the knowledge necessary in and around the nuclear reactors was emphasized in order to familiarize the students with the reactor chemistry. The teaching experience of the fundamentals of reactor chemistry is also given. (author)

  4. Laser polishing of 3D printed mesoscale components

    Bhaduri, Debajyoti; Penchev, Pavel; Batal, Afif; Dimov, Stefan; Soo, Sein Leung; Sten, Stella; Harrysson, Urban; Zhang, Zhenxue; Dong, Hanshan

    2017-01-01

    and irregularities that were prevalent on the as-received stainless steel samples. The optimised laser polishing technology was consequently implemented for serial finishing of structured 3D printed mesoscale SS316L components. This led to substantial reductions in areal S_a and S_t parameters by 75% (0.489–0.126 μm) and 90% (17.71–1.21 μm) respectively, without compromising the geometrical accuracy of the native 3D printed samples.

  5. Laser polishing of 3D printed mesoscale components

    Bhaduri, Debajyoti, E-mail: debajyoti.bhaduri@gmail.com [Department of Mechanical Engineering, School of Engineering, University of Birmingham, Edgbaston, Birmingham, B15 2TT (United Kingdom); Penchev, Pavel; Batal, Afif; Dimov, Stefan; Soo, Sein Leung [Department of Mechanical Engineering, School of Engineering, University of Birmingham, Edgbaston, Birmingham, B15 2TT (United Kingdom); Sten, Stella; Harrysson, Urban [Digital Metal, Höganäs AB, 263 83 Höganäs (Sweden); Zhang, Zhenxue; Dong, Hanshan [School of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham, B15 2TT (United Kingdom)

    2017-05-31

    , lumps and irregularities that were prevalent on the as-received stainless steel samples. The optimised laser polishing technology was consequently implemented for serial finishing of structured 3D printed mesoscale SS316L components. This led to substantial reductions in areal S{sub a} and S{sub t} parameters by 75% (0.489–0.126 μm) and 90% (17.71–1.21 μm) respectively, without compromising the geometrical accuracy of the native 3D printed samples.

  6. A three-dimensional meso-scale modeling for helium bubble growth in metals

    Suzudo, T.; Kaburaki, H.; Wakai, E.

    2007-01-01

    A three-dimensional meso-scale computer model using a Monte-Carlo simulation method has been proposed to simulate the helium bubble growth in metals. The primary merit of this model is that it enables the visual comparison between the microstructure observed by the TEM imaging and those by calculations. The modeling is so simple that one can control easily the calculation by tuning parameters. The simulation results are confirmed by the ideal gas law and the capillary relation. helium bubble growth, meso-scale modeling, Monte-Carlo simulation, the ideal gas law and the capillary relation. (authors)

  7. WRF Mesoscale Pre-Run for the Wind Atlas of Mexico

    Hahmann, Andrea N.; Pena Diaz, Alfredo; Hansen, Jens Carsten

    2016-01-01

    This report documents the work performed by DTU Wind Energy for the project “Atlas Eólico Mexicano” or the Wind Atlas of Mexico. This document reports on the methods used in “Pre-run” of the windmapping project for Mexico. The interim mesoscale modeling results were calculated from the output of simulations using the Weather, Research and Forecasting (WRF) model. We document the method used to run the mesoscale simulations and to generalize the WRF model wind climatologies. A separate section...

  8. Annual report 1985 Chemistry Department

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1986-03-01

    This report contains a brief survey of the main activities in the Chemistry Department. All particles and reports published and lectures given in 1985 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general. (author)

  9. Annual report 1984 Chemistry Department

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1985-03-01

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry , environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general. (author)

  10. Fundamentals of nuclear chemistry

    Matel, L.; Dulanska, S.

    2013-01-01

    This text-book is an introductory text in nuclear chemistry and radiochemistry, aimed on university undergraduate students in chemistry and related disciplines (physics, nuclear engineering). It covers the key aspects of modern nuclear chemistry. The text begins with basic theories in contemporary physics. It relates nuclear phenomena to key divisions of chemistry such as atomic structure, spectroscopy, equilibria and kinetics. It also gives an introduction to sources of ionizing radiation, detection of ionizing radiation, nuclear power industry and accident on nuclear installations as well as basic knowledge's of radiobiology. This book is essential reading for those taking a first course in nuclear chemistry and is a useful companion to other volumes in physical and analytical chemistry. It will also be of use to those new to working in nuclear chemistry or radiochemistry.

  11. Nuclear chemistry in the traditional chemistry program

    Kleppinger, E.W.

    1993-01-01

    The traditional undergraduate program for chemistry majors, especially at institutions devoted solely to undergraduate education, has limited space for 'special topics' courses in areas such as nuclear and radiochemistry. A scheme is proposed whereby the basic topics covered in an introductury radiochemistry course are touched upon, and in some cases covered in detail, at some time during the four-year sequence of courses taken by a chemistry major. (author) 6 refs.; 7 tabs

  12. The New Color of Chemistry: Green Chemistry

    Zuhal GERÇEK

    2012-01-01

    Green chemistry which is the new application of chemistry rules provides solutions to problems that mankind is faced with climate changes, sustainable agriculture, energy, toxics, depletion of natural sources e.g. designing new chemicals and processes that production and utilization of hazardous matters. So, it is the indispensible tool for sustainable development. Current and future chemists should consider the human health and ecological issues in their professional life. In order to provid...

  13. Mesoscale modeling of smoke radiative feedback over the Sahel region

    Yang, Z.; Wang, J.; Ichoku, C. M.; Ellison, L.; Zhang, F.; Yue, Y.

    2013-12-01

    This study employs satellite observations and a fully-coupled meteorology-chemistry-aerosol model, Weather Research and Forecasting model with Chemistry (WRF-Chem) to study the smoke radative feedback on surface energy budget, boundary layer processes, and atmospheric lapse rate in February 2008 over the Sahel region. The smoke emission inventories we use come from various sources, including but not limited to the Fire Locating and Modeling of Burning Emissions (FLAMBE) developed by NRL and the Fire Energetic and Emissions Research (FEER) developed by NASA GSFC. Model performance is evaluated using numerous satellite and ground-based datasets: MODIS true color images, ground-based Aerosol Optical Depth (AOD) measurements from AERONET, MODIS AOD retrievals, and Cloud-Aerosol Lidar data with Orthogonal Polarization (CALIOP) atmospheric backscattering and extinction products. Specification of smoke injection height of 650 m in WRF-Chem yields aerosol vertical profiles that are most consistent with CALIOP observations of aerosol layer height. Statistically, 5% of the CALIPSO valid measurements of aerosols in February 2008 show aerosol layers either above the clouds or between the clouds, reinforcing the importance of the aerosol vertical distribution for quantifying aerosol impact on climate in the Sahel region. The results further show that the smoke radiative feedbacks are sensitive to assumptions of black carbon and organic carbon ratio in the particle emission inventory. Also investigated is the smoke semi-direct effect as a function of cloud fraction.

  14. Antiparallel Dynamic Covalent Chemistries.

    Matysiak, Bartosz M; Nowak, Piotr; Cvrtila, Ivica; Pappas, Charalampos G; Liu, Bin; Komáromy, Dávid; Otto, Sijbren

    2017-05-17

    The ability to design reaction networks with high, but addressable complexity is a necessary prerequisite to make advanced functional chemical systems. Dynamic combinatorial chemistry has proven to be a useful tool in achieving complexity, however with some limitations in controlling it. Herein we introduce the concept of antiparallel chemistries, in which the same functional group can be channeled into one of two reversible chemistries depending on a controllable parameter. Such systems allow both for achieving complexity, by combinatorial chemistry, and addressing it, by switching from one chemistry to another by controlling an external parameter. In our design the two antiparallel chemistries are thiol-disulfide exchange and thio-Michael addition, sharing the thiol as the common building block. By means of oxidation and reduction the system can be reversibly switched from predominantly thio-Michael chemistry to predominantly disulfide chemistry, as well as to any intermediate state. Both chemistries operate in water, at room temperature, and at mildly basic pH, which makes them a suitable platform for further development of systems chemistry.

  15. Scaling of mesoscale simulations of polymer melts with the bare friction coefficient

    Kindt, P.; Kindt, P.; Briels, Willem J.

    2005-01-01

    Both the Rouse and reptation model predict that the dynamics of a polymer melt scale inversely proportional with the Langevin friction coefficient (E). Mesoscale Brownian dynamics simulations of polyethylene validate these scaling predictions, providing the reptational friction (E)R=(E)+(E)C is

  16. The diffusion of radioactive gases in the meso-scale (20 km-400 km)

    Wippermann, F.

    1974-01-01

    The term ''Mesoscale'' refers to distances between 20 km and 400 km from the source; in defining this range, the structure of atmospheric turbulence is taken into account. To arrive at an evaluation of diffusion in the mesoscale, quantitative methods from the microscale (source distance 400 km) are extrapolated into the mesoscale. In the first case a table is given to read off the minimum factor by which the concentration is reduced in the mesoscale as the source distance increases to obtain the diffusion for the worst possible case, the existence of a mixing-layer topped by a temperature inversion, was assumed. For this it was essential, first of all, to determine the source distance xsub(D) beyond which the diffusing gases are completely mixed within the mixing-layer of thickness D. To make allowance for all possible thicknesses of this mixing-layer, a measurement carried out at ground level at only 10 km from the source can be used to calculate the correct concentrations in the mixing-layer; the dilution factors will then be related to this value. Possible ways of an improved incorporation of certain factors in the diffusion estimate, such as the topography of the earth's surface, the roughness of terrain, the vertical profiles of wind and exchange coefficients and the effects of non-stability are given in the last section

  17. Three-dimensional Mesoscale Simulations of Detonation Initiation in Energetic Materials with Density-based Kinetics

    Jackson, Thomas; Jost, A. M.; Zhang, Ju; Sridharan, P.; Amadio, G.

    2017-06-01

    In this work we present three-dimensional mesoscale simulations of detonation initiation in energetic materials. We solve the reactive Euler equations, with the energy equation augmented by a power deposition term. The reaction rate at the mesoscale is modelled using a density-based kinetics scheme, adapted from standard Ignition and Growth models. The deposition term is based on previous results of simulations of pore collapse at the microscale, modelled at the mesoscale as hot-spots. We carry out three-dimensional mesoscale simulations of random packs of HMX crystals in a binder, and show that the transition between no-detonation and detonation depends on the number density of the hot-spots, the initial radius of the hot-spot, the post-shock pressure of an imposed shock, and the amplitude of the power deposition term. The trends of transition at lower pressure of the imposed shock for larger number density of pore observed in experiments is reproduced. Initial attempts to improve the agreement between the simulation and experiments through calibration of various parameters will also be made.

  18. DeepEddy : a simple deep architecture for mesoscale oceanic eddy detection in SAR images

    Huang, Dongmei; Du, Yanling; He, Qi; Song, Wei; Liotta, Antonio

    2017-01-01

    Automatic detection of mesoscale oceanic eddies is in great demand to monitor their dynamics which play a significant role in ocean current circulation and marine climate change. Traditional methods of eddies detection using remotely sensed data are usually based on physical parameters, geometrics,

  19. Mesoscale Iron Enrichment Experiments 1993–2005 : Synthesis and Future Directions

    Boyd, P.W.; Jickells, T.; Law, C.S.; Blain, S.; Boyle, E.A.; Buesseler, K.O.; Coale, K.H.; Cullen, J.J.; Baar, H.J.W. de; Follows, M.; Harvey, M.; Lancelot, C.; Levasseur, M.; Owens, N.P.J.; Pollard, R.; Rivkin, R.B.; Sarmiento, J.; Schoemann, V.; Smetacek, V.; Takeda, S.; Tsuda, A.; Turner, S.; Watson, A.J.; Jickells, S.

    2007-01-01

    Since the mid-1980s, our understanding of nutrient limitation of oceanic primary production has radically changed. Mesoscale iron addition experiments (FeAXs) have unequivocally shown that iron supply limits production in one-third of the world ocean, where surface macronutrient concentrations are

  20. Investigation of porous concrete through macro and meso-scale testing

    Agar Ozbek, A.S.; Weerheijm, J.; Schlangen, H.E.J.G.

    2010-01-01

    In designing a porous concrete, containing a high volume of air pores, the effects of its mesoscale phases on its macro level properties have to be known. For this purpose, porous concretes having different aggregate gradings and cement paste compositions were investigated through macro-scale

  1. Mesoscale plastic texture in body-centered cubic metals under uniaxial load

    Gröger, Roman; Vitek, V.; Lookman, T.

    2017-01-01

    Roč. 1, č. 6 (2017), s. 063601 E-ISSN 2475-9953 R&D Projects: GA MŠk(CZ) LQ1601; GA ČR(CZ) GA16-13797S Institutional support: RVO:68081723 Keywords : dislocations * mesoscale * bcc metals Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.)

  2. WRF Mesoscale Pre-Run for the Wind Atlas of Mexico

    Hahmann, Andrea N.; Pena Diaz, Alfredo; Hansen, Jens Carsten

    This report documents the work performed by DTU Wind Energy for the project “Atlas Eólico Mexicano” or the Wind Atlas of Mexico. This document reports on the methods used in “Pre-run” of the windmapping project for Mexico. The interim mesoscale modeling results were calculated from the output...

  3. Shadowing effects of offshore wind farms - an idealised mesoscale model study

    Volker, Patrick; Badger, Jake; Hahmann, Andrea N.

    The study of wind farm (WF) interaction is expected to gain importance, since the offshore wind farm density will increase especially in the North Sea in the near future. We present preliminary results of wind farm interaction simulated by mesoscale models. We use the Explicit Wake Parametrisatio...

  4. Atmospheric chemistry and climate

    Satheesh, SK

    2012-01-01

    Atmospheric chemistry is a branch of atmospheric science where major focus is the composition of the Earth's atmosphere. Knowledge of atmospheric composition is essential due to its interaction with (solar and terrestrial) radiation and interactions of atmospheric species (gaseous and particulate matter) with living organisms. Since atmospheric chemistry covers a vast range of topics, in this article the focus is on the chemistry of atmospheric aerosols with special emphasis on the Indian reg...

  5. Polymer chemistry (revised edition)

    Kim, Jae Mum

    1987-02-01

    This book deals with polymer chemistry, which is divided into fourteen chapters. The contents of this book are development of polymer chemistry, conception of polymer, measurement of polymer chemistry, conception of polymer, measurement of polymer, molecule structure of polymer, thermal prosperities of solid polymer, basic theory of polymerization, radical polymerization, ion polymerization, radical polymerization, copolymerization, polymerization by step-reaction, polymer reaction, crown polymer and inorganic polymer on classification and process of creation such as polymeric sulfur and carbon fiber.

  6. Chemistry of the elements

    Greenwood, N.N.; Earnshaw, A.

    1984-01-01

    This textbook presents an account of the chemistry of the elements for both undergraduate and postgraduate students. It covers not only the 'inorganic' chemistry of the elements, but also analytical, theoretical, industrial, organometallic;, bio-inorganic and other areas of chemistry which apply. The following elements of special nuclear interest are included: Rb, Cs, Fr, Sr, Ba, Ra, Po, At, Rn, Sc, Y, Zr, Hf, V, Nb, Ta, Mo, Tc, Ru, the Lanthanide Elements, the Actinide Elements. (U.K.)

  7. From trace chemistry to single atom chemistry

    Adloff, J.P.

    1993-01-01

    Hot atom chemistry in the vast majority of experimental works deals with the trace amount of radioactive matters. Accordingly, the concept of trace chemistry is at the heart of hot atom chemistry. Some aspects of the chemistry at trace scale and at subtrace scale are presented together with the related problems of speciation and the complication which may arise due to the formation of radio colloids. The examples of 127 I(n,γ) 128 I and 132 Te (β - ) 132 I are shown, and the method based on radioactivity was used. The procedure of separating the elements in pitchblende is shown as the example of the chemistry of traces. 13 27 Al+ 2 4 He→ 0 1 n+ 15 30 P and 15 30 P→ 14 30 Si+e + +V are shown, and how to recognize the presence of radioactive colloids is explained. The formation of radiocolloids is by the sorption of a trace radioelement on pre-existing colloidal impurity or the self-condensation of monomeric species. The temporal parameters of the nature of reactions at trace concentration are listed. The examples of Class A and Class B reactions are shown. The kinetics of reactions at trace level, radon concentration, anthropogenic Pu and natural Pu in environment, the behavior of Pu atoms and so on are described. (K.I.)

  8. Advances in quantum chemistry

    Sabin, John R

    2013-01-01

    Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine.Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features

  9. Canopy Chemistry (OTTER)

    National Aeronautics and Space Administration — ABSTRACT: Canopy characteristics: leaf chemistry, specific leaf area, LAI, PAR, IPAR, NPP, standing biomass--see also: Meteorology (OTTER) for associated...

  10. USSR Report, Chemistry

    1986-01-01

    This USSR Report on Chemistry contains articles on Aerosols, Adsorption, Biochemistry, Catalysis, Chemical Industry, Coal Gasification, Electrochemistry, Explosives and Explosions, Fertilizers, Food...

  11. Elements of environmental chemistry

    Hites, R. A; Raff, Jonathan D

    2012-01-01

    ... more. Extensively revised, updated, and expanded, this second edition includes new chapters on atmospheric chemistry, climate change, and polychlorinated biphenyls and dioxins, and brominated flame retardants...

  12. Green Chemistry Pedagogy

    Kolopajlo, Larry

    2017-02-01

    This chapter attempts to show how the practice of chemistry teaching and learning is enriched by the incorporation of green chemistry (GC) into lectures and labs. To support this viewpoint, evidence from a wide range of published papers serve as a cogent argument that GC attracts and engages both science and nonscience students, enhances chemistry content knowledge, and improves the image of the field, while preparing the world for a sustainable future. Published pedagogy associated with green and sustainable chemistry is critically reviewed and discussed.

  13. DOE fundamentals handbook: Chemistry

    1993-01-01

    This handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of chemistry. This volume contains the following modules: reactor water chemistry (effects of radiation on water chemistry, chemistry parameters), principles of water treatment (purpose; treatment processes [ion exchange]; dissolved gases, suspended solids, and pH control; water purity), and hazards of chemicals and gases (corrosives [acids, alkalies], toxic compounds, compressed gases, flammable/combustible liquids)

  14. Subregional characterization of mesoscale eddies across the Brazil-Malvinas Confluence

    Mason, Evan; Pascual, Ananda; Gaube, Peter; Ruiz, Simón; Pelegrí, Josep L.; Delepoulle, Antoine

    2017-04-01

    Horizontal and vertical motions associated with coherent mesoscale structures, including eddies and meanders, are responsible for significant global transports of many properties, including heat and mass. Mesoscale vertical fluxes also influence upper ocean biological productivity by mediating the supply of nutrients into the euphotic layer, with potential impacts on the global carbon cycle. The Brazil-Malvinas Confluence (BMC) is a western boundary current region in the South Atlantic with intense mesoscale activity. This region has an active role in the genesis and transformation of water masses and thus is a critical component of the Atlantic meridional overturning circulation. The collision between the Malvinas and Brazil Currents over the Patagonian shelf/slope creates an energetic front that translates offshore to form a vigorous eddy field. Recent improvements in gridded altimetric sea level anomaly fields allow us to track BMC mesoscale eddies with high spatial and temporal resolutions using an automated eddy tracker. We characterize the eddies across fourteen 5° × 5° subregions. Eddy-centric composites of tracers and geostrophic currents diagnosed from a global reanalysis of surface and in situ data reveal substantial subregional heterogeneity. The in situ data are also used to compute the evolving quasi-geostrophic vertical velocity (QG-ω) associated with each instantaneous eddy instance. The QG-ω eddy composites have the expected dipole patterns of alternating upwelling/downwelling, however, the magnitude and sign of azimuthally averaged vertical velocity varies among subregions. Maximum eddy values are found near fronts and sharp topographic gradients. In comparison with regional eddy composites, subregional composites provide refined information about mesoscale eddy heterogeneity.

  15. Simulation and analysis of the mesoscale circulation in the northwestern Mediterranean Sea

    V. Echevin

    Full Text Available The large-scale and mesoscale circulation of the northwestern Mediterranean Sea are simulated with an eddy-resolving primitive-equation regional model (RM of 1/16° resolution embedded in a general circulation model (GM of the Mediterranean Sea of 1/8° resolution. The RM is forced by a monthly climatology of heat fluxes, precipitation and wind stress. The GM, which uses the same atmospheric forcing, provides initial and boundary conditions for the RM. Analysis of the RM results shows that several realistic features of the large-scale and mesoscale circulation are evident in this region. The mean cyclonic circulation is in good agreement with observations. Mesoscale variability is intense along the coasts of Sardinia and Corsica, in the Gulf of Lions and in the Catalan Sea. The length scales of the Northern Current meanders along the Provence coast and in the Gulf of Lions’ shelf are in good agreement with observations. Winter Intermediate Water is formed along most of the north-coast shelves, between the Gulf of Genoa and Cape Creus. Advection of this water by the mean cyclonic circulation generates a complex eddy field in the Catalan Sea. Intense anticyclonic eddies are generated northeast of the Balearic Islands. These results are in good agreement with mesoscale activity inferred from satellite altimetric data. This work demonstrates the feasibility of a down-scaling system composed of a general-circulation, a regional and a coastal model, which is one of the goals of the Mediterranean Forecasting System Pilot Project.

    Key words. Oceanography: physical (currents; eddies and mesoscale processes; general circulation

  16. The South China Sea Mesoscale Eddy Experiment (S-MEE) and Its Primary Findings

    Zhang, Z.; Tian, J.; Zhao, W.; Qiu, B.

    2016-02-01

    South China Sea (SCS), the largest marginal sea in the northwestern Pacific, have strong eddy activities as revealed by both satellite and in situ observations. The 3D structures of the SCS mesoscale eddies and their lifecycles, including the generation and dissipation processes, are, however, still not well understood at present because of the lack of well-designed field observations. In order to address the above two scientific issues (3D structure and lifecycle of SCS mesoscale eddies), the SCS Mesoscale Eddy Experiment (S-MEE for short) was designed and conducted in the period from October 2013 to June 2014. As part of S-MEE, two bottom-anchored subsurface mooring arrays with one consisting of 10 moorings and the other 7 moorings, were deployed along the historical pathway of the mesoscale eddies in the northern SCS. All the moorings were equipped with ADCPs, RCMs, CTDs and temperature chains to make continues measurements of horizontal current velocity and temperature/salinity in the whole water column. During the S-MEE, a total of 5 distinct mesoscale eddies were observed to cross the mooring arrays, among which one anticyclonic and cyclonic eddy pair was fully captured by the mooring arrays. In addition to moored observations, we also conducted two transects across the center of the anticyclonic eddy and made high-resolution hydrographic and turbulent mixing measurements. Based on the data collected by the S-MEE and concurrent satellite-derived observations, we constructed the full-depth 3D structure of the eddy pair and analyzed its generation and dissipation mechanisms. We found that the eddies extend from the surface to the sea bottom and display prominent tilted structures in the vertical. By conducting an eddy energy budget analysis, we further identified that generation of submesoscale motions constitutes the dominant mechanism for the oceanic eddy dissipation.

  17. Meso-scale effects of tropical deforestation in Amazonia: preparatory LBA modelling studies

    A. J. Dolman

    1999-08-01

    Full Text Available As part of the preparation for the Large-Scale Biosphere Atmosphere Experiment in Amazonia, a meso-scale modelling study was executed to highlight deficiencies in the current understanding of land surface atmosphere interaction at local to sub-continental scales in the dry season. Meso-scale models were run in 1-D and 3-D mode for the area of Rondonia State, Brazil. The important conclusions are that without calibration it is difficult to model the energy partitioning of pasture; modelling that of forest is easier due to the absence of a strong moisture deficit signal. The simulation of the boundary layer above forest is good, above deforested areas (pasture poor. The models' underestimate of the temperature of the boundary layer is likely to be caused by the neglect of the radiative effects of aerosols caused by biomass burning, but other factors such as lack of sufficient entrainment in the model at the mixed layer top may also contribute. The Andes generate patterns of subsidence and gravity waves, the effects of which are felt far into the Rondonian area The results show that the picture presented by GCM modelling studies may need to be balanced by an increased understanding of what happens at the meso-scale. The results are used to identify key measurements for the LBA atmospheric meso-scale campaign needed to improve the model simulations. Similar modelling studies are proposed for the wet season in Rondonia, when convection plays a major role.Key words. Atmospheric composition and structure (aerosols and particles; biosphere-atmosphere interactions · Meterology and atmospheric dynamics (mesoscale meterology

  18. Meso-scale effects of tropical deforestation in Amazonia: preparatory LBA modelling studies

    A. J. Dolman

    Full Text Available As part of the preparation for the Large-Scale Biosphere Atmosphere Experiment in Amazonia, a meso-scale modelling study was executed to highlight deficiencies in the current understanding of land surface atmosphere interaction at local to sub-continental scales in the dry season. Meso-scale models were run in 1-D and 3-D mode for the area of Rondonia State, Brazil. The important conclusions are that without calibration it is difficult to model the energy partitioning of pasture; modelling that of forest is easier due to the absence of a strong moisture deficit signal. The simulation of the boundary layer above forest is good, above deforested areas (pasture poor. The models' underestimate of the temperature of the boundary layer is likely to be caused by the neglect of the radiative effects of aerosols caused by biomass burning, but other factors such as lack of sufficient entrainment in the model at the mixed layer top may also contribute. The Andes generate patterns of subsidence and gravity waves, the effects of which are felt far into the Rondonian area The results show that the picture presented by GCM modelling studies may need to be balanced by an increased understanding of what happens at the meso-scale. The results are used to identify key measurements for the LBA atmospheric meso-scale campaign needed to improve the model simulations. Similar modelling studies are proposed for the wet season in Rondonia, when convection plays a major role.

    Key words. Atmospheric composition and structure (aerosols and particles; biosphere-atmosphere interactions · Meterology and atmospheric dynamics (mesoscale meterology

  19. Assimilation of COST 716 Near-Real Time GPS data in the nonhydrostatic limited area model used at MeteoSwiss

    Guerova, G.; Bettems, J.-M.; Brockmann, E.; Matzler, Ch.

    2006-01-01

    Application of the GPS derived water vapor into Numerical Weather Prediction (NWP) models is one of the focuses of the COST Action 716 “Exploitation of Ground based GPS for climate and numerical weather prediction applications”. For this purpose the GPS data covering Europe have been collected within the Near-Real Time (NRT) demonstration project and provided for Observing System Experiments (OSE). For the experiments presented in this manuscript the operational NWP system of MeteoSwiss is used. The limited area nonhydrostatic aLpine Model (aLMo) of MeteoSwiss covers most of western Europe, has a horizontal resolution of 7 km, 45 layers in the vertical, and uses a data assimilation scheme based on the Newtonian relaxation (nudging) method. In total 17 days analyses and two 30 hours daily forecasts have been computed, with 100 GPS sites assimilated for three selected periods in autumn 2001, winter and summer 2002. It is to be noted that only in the last period data from 10 french sites, i.e. west of Switzerland are assimilated. The GPS NRT data quality has been compared with the Post-Processed data. Agreement within 3 mm level Zenith Total Delay bias and 8 mm standard deviation was found, corresponding to an Integrated Water Vapor (IWV) bias below 0.5 kg/m2. Most of the NRT data over aLMo domain are available within a prescribed time window of 1 h 45 min. In the nudging process the NRT data are successfully used by the model to correct the IWV deficiencies present in the reference analysis; stronger forcing with a shorter time scale could be however recommended. Comparing the GPS derived IWV with radiosonde observations, a dry radiosonde bias has been found over northern Italy. Through GPS data assimilation the aLMo analysis bias and standard deviation in the diurnal cycle has been reduced. The negative bias of 0.64 kg/m2 in the reference analysis has been reduced to 0.34 kg/m2 in GPS analysis. However, the diurnal cycle statistic from the forecast does show the

  20. Characterization of down-valley winds in stable stratification from the KASCADE field campaign and WRF mesoscale simulations

    Duine, Gert-Jan

    2015-01-01

    This thesis investigates down-valley wind characteristics in complex terrain of moderate oro-graphy for a mid-latitude area. The work was motivated by safety regulation in the context of sanitary impact of the Cadarache centre on its close surroundings. Cadarache is one of the research centres of 'Commissariat a l'Energie Atomique et aux Energies Alternatives' (CEA), located in southeastern France. It is embedded in a small valley, the Cadarache Valley (CV), which is one of the tributaries of the larger Durance Valley (DV). The two valleys are distinct in width (1 - 2 vs. 5 km for CV and DV, respectively), length (5 vs. more than 60 km), depth (100 vs. 200 m and higher) and slope angle (1 degree vs. 0.2 degree on average along the valleys main axis), and therefore react differently under stable conditions. Stable stratifications regularly occur in the region due to frequent weak synoptic forcing and clear sky conditions. During such conditions, dilution of pollutants can become weak; this is one of the major motivations of the present study. To investigate the valley wind behaviour, the KASCADE (Katabatic winds and Stability over Cadarache for Dispersion of Effluents) campaign has been designed. It was conducted in the winter of 2013 including continuous observations (flux tower, Sodar and Cadarache observational network) covering a 3-month period and 23 intensive observation periods (IOPs). During the IOPs tethered balloon experiments were conducted and radio-soundings were launched. An IOP was carried out when weak synoptic forcing periods and clear skies were expected, started at 12 UTC and lasted 24 hours. A calibration experiment served for sensor correction purposes, resulting in a high quality data set of a well-documented campaign (http://kascade.sedoo.fr/). The valley flows at the local and regional scale are characterized from observations analysis and IOP simulations with the non-hydrostatic WRF model. The analysis shows that the Cadarache

  1. Coupling a Mesoscale Numerical Weather Prediction Model with Large-Eddy Simulation for Realistic Wind Plant Aerodynamics Simulations (Poster)

    Draxl, C.; Churchfield, M.; Mirocha, J.; Lee, S.; Lundquist, J.; Michalakes, J.; Moriarty, P.; Purkayastha, A.; Sprague, M.; Vanderwende, B.

    2014-06-01

    Wind plant aerodynamics are influenced by a combination of microscale and mesoscale phenomena. Incorporating mesoscale atmospheric forcing (e.g., diurnal cycles and frontal passages) into wind plant simulations can lead to a more accurate representation of microscale flows, aerodynamics, and wind turbine/plant performance. Our goal is to couple a numerical weather prediction model that can represent mesoscale flow [specifically the Weather Research and Forecasting model] with a microscale LES model (OpenFOAM) that can predict microscale turbulence and wake losses.

  2. Annual report 1989 Chemistry Department

    Funck, J.; Neve Larsen, Aa.; Larsen, E.; Nielsen, O.J.

    1990-03-01

    This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1989 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, chemical reactivity, mineral processing, and general. (author)

  3. Annual report 1988 Chemistry Department

    Funck, J.; Neve Larsen, Aa.; Larsen, E.; Nielsen, O.J.

    1989-05-01

    This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1988 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, chemical reactivity, mineral processing, and general. (author)

  4. Annual report 1986 chemistry department

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1987-03-01

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1986 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, radical chemistral, mineral processing, and general. (author)

  5. Titanocene sulfide chemistry

    Horáček, Michal

    2016-01-01

    Roč. 314, MAY 2016 (2016), s. 83-102 ISSN 0010-8545 R&D Projects: GA ČR(CZ) GAP207/12/2368 Institutional support: RVO:61388955 Keywords : titanocene sulfide chemistry * photolysis * titanocene hydrosulfides Ti-(SH)n Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 13.324, year: 2016

  6. A green chemistry approach

    Administrator

    One-pot synthesis of quinaldine derivatives by using microwave irradiation without any solvent – A green chemistry approach. JAVAD SAFARI*, SAYED HOSSEIN BANITABA and SEPEHR SADEGH SAMIEI. Department of Chemistry, The Faculty of sciences, University of Kashan, Kashan,. P.O. Box 87317-51167, I.R. Iran.

  7. Chemistry in Microfluidic Channels

    Chia, Matthew C.; Sweeney, Christina M.; Odom, Teri W.

    2011-01-01

    General chemistry introduces principles such as acid-base chemistry, mixing, and precipitation that are usually demonstrated in bulk solutions. In this laboratory experiment, we describe how chemical reactions can be performed in a microfluidic channel to show advanced concepts such as laminar fluid flow and controlled precipitation. Three sets of…

  8. Chemistry of americium

    Schulz, W.W.

    1976-01-01

    Essential features of the descriptive chemistry of americium are reviewed. Chapter titles are: discovery, atomic and nuclear properties, collateral reading, production and uses, chemistry in aqueous solution, metal, alloys, and compounds, and, recovery, separation, purification. Author and subject indexes are included. (JCB)

  9. Movies in Chemistry Education

    Pekdag, Bulent; Le Marechal, Jean-Francois

    2010-01-01

    This article reviews numerous studies on chemistry movies. Movies, or moving pictures, are important elements of multimedia and signify a privileged or motivating means of presenting knowledge. Studies on chemistry movies show that the first movie productions in this field were devoted to university lectures or documentaries. Shorter movies were…

  10. WATER CHEMISTRY ASSESSMENT METHODS

    This section summarizes and evaluates the surfce water column chemistry assessment methods for USEPA/EMAP-SW, USGS-NAQA, USEPA-RBP, Oho EPA, and MDNR-MBSS. The basic objective of surface water column chemistry assessment is to characterize surface water quality by measuring a sui...

  11. The Breath of Chemistry

    Josephsen, Jens

    The present preliminary text is a short thematic presentation in biological inorganic chemistry meant to illustrate general and inorganic (especially coordination) chemistry in biochemistry. The emphasis is on molecular models to explain features of the complicated mechanisms essential to breathing...

  12. Exercises in Computational Chemistry

    Spanget-Larsen, Jens

    2016-01-01

    A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16).......A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16)....

  13. Chemistry and Biology

    Wigston, David L.

    1970-01-01

    Discusses the relationship between chemisty and biology in the science curriculum. Points out the differences in perception of the disciplines, which the physical scientists favoring reductionism. Suggests that biology departments offer a special course for chemistry students, just as the chemistry departments have done for biology students.…

  14. Transuranic Computational Chemistry.

    Kaltsoyannis, Nikolas

    2018-02-26

    Recent developments in the chemistry of the transuranic elements are surveyed, with particular emphasis on computational contributions. Examples are drawn from molecular coordination and organometallic chemistry, and from the study of extended solid systems. The role of the metal valence orbitals in covalent bonding is a particular focus, especially the consequences of the stabilization of the 5f orbitals as the actinide series is traversed. The fledgling chemistry of transuranic elements in the +II oxidation state is highlighted. Throughout, the symbiotic interplay of experimental and computational studies is emphasized; the extraordinary challenges of experimental transuranic chemistry afford computational chemistry a particularly valuable role at the frontier of the periodic table. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Third Chemistry Conference on Recent Trends in Chemistry

    Saeed, M.M.; Wheed, S.

    2011-01-01

    The third chemistry conference 2011 on recent trends in chemistry was held from October 17-19, 2001 at Islamabad, Pakistan. More than 65 papers and oral presentation. The scope of the conference was wide open and provides and opportunity for participation of broad spectrum of chemists. This forum provided a platform for the dissemination of the latest research followed by discussion pertaining to new trends in chemistry. This con fence covered different aspects of subjects including analytical chemistry, environmental chemistry, polymer chemistry, industrial chemistry, biochemistry and nano chemistry etc. (A.B.)

  16. Korean Kimchi Chemistry: A Multicultural Chemistry Connection

    Murfin, Brian

    2009-01-01

    Connecting science with different cultures is one way to interest students in science, to relate science to their lives, and at the same time to broaden their horizons in a variety of ways. In the lesson described here, students make kimchi, a delicious and popular Korean dish that can be used to explore many important chemistry concepts,…

  17. Chemistry and Nanoscience Research | NREL

    Chemistry and Nanoscience Center at NREL investigates materials and processes for converting renewable and new technologies. NREL's primary research in the chemistry and nanoscience center includes the Electrochemical Engineering and Materials Chemistry Providing a knowledge base in materials science covering

  18. System approach to chemistry course

    Lorina E. Kruglova; Valentina G. Derendyaeva

    2010-01-01

    The article considers the raise of chemistry profile for engineers and constructors training, discloses the system approach to chemistry course and singles out the most important modules from the course of general chemistry for construction industry.

  19. Annual report 1987 Chemistry Department

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1988-04-01

    This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1987 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, radical chemistry, mineral processing, and general. 13 ills., (author)

  20. Annual report 1982 chemistry department

    Larsen, E.; Nielsen, O.J.

    1983-04-01

    The work going on in the Risoe National Laboratory, Chemistry Department is briefly surveyed by a presentation of all articles and reports published in 1982. The facilities and equipment are barely mentioned. The papers are divided into eight activities: 1. neutron activation analysis 2. analytical- and organic chemistry 3. environmental chemistry 4. polymer chemistry 5. geochemistry 6. radical chemistry 7. poitron annihilation 8. uranium process chemistry. (author)

  1. An Evaluation of Mesoscale Model Based Model Output Statistics (MOS) During the 2002 Olympic and Paralympic Winter Games

    Hart, Kenneth

    2003-01-01

    The skill of a mesoscale model based Model Output Statistics (MOS) system that provided hourly forecasts for 18 sites over northern Utah during the 2002 Winter Olympic and Paralympic Games is evaluated...

  2. Annual Report 1984. Chemistry Department

    Funck, Jytte; Nielsen, Ole John

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, an......, analytical- and organic chemistry, environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general.......This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry...

  3. Moderator Chemistry Program

    Dewitt, L.V.; Gibbs, A.; Lambert, D.P.; Bohrer, S.R.; Fanning, R.L.; Houston, M.W.; Stinson, S.L.; Deible, R.W.; Abdel-Khalik, S.I.

    1990-11-01

    Over the past fifteen months, the Systems Chemistry Group of the Reactor Engineering Department has undertaken a comprehensive study of the Department's moderator chemistry program at Savannah River Site (SRS). An internal review was developed to formalize and document this program. Objectives were as outlined in a mission statement and action plan. In addition to the mission statement and action plan, nine separate task reports have been issued during the course of this study. Each of these task reports is included in this document as a chapter. This document is an organized compilation of the individual reports issued by the Systems Chemistry Group in assessment of SRS moderator chemistry to determine if there were significant gaps in the program as ft existed in October, 1989. While these reviews found no significant gaps in that mode of operation, or any items that adversely affected safety, items were identified that could be improved. Many of the items have already been dear with or are in the process of completion under this Moderator Chemistry Program and other Reactor Restart programs. A complete list of the items of improvement found under this assessment is found in Chapter 9, along with a proposed time table for correcting remaining items that can be improved for the chemistry program of SRS reactors. An additional external review of the moderator chemistry processes, recommendations, and responses to/from the Reactor Corrosion Mitigation Committee is included as Appendix to this compilation

  4. Chemistry of Technetium

    Omori, Takashi

    2001-01-01

    Since the late 1970's the coordination chemistry of technetium has been developed remarkably. The background of the development is obviously related to the use of technetium radiopharmaceuticals for diagnosis in nuclear medicine. Much attention has also been denoted to the chemical behavior of environmental 99 Tc released from reprocessing plants. This review covers the several aspects of technetium chemistry, including production of radioisotopes, analytical chemistry and coordination chemistry. In the analytical chemistry, separation of technetium, emphasizing chromatography and solvent extraction, is described together with spectrophotometric determination of technetium. In the coordination chemistry of technetium, a characteristic feature of the chemistry of Tc(V) complexes is referred from the view point of the formation of a wide variety of highly stable complexes containing the Tc=O or Tc≡N bond. Kinetic studies of the preparation of Tc(III) complexes using hexakis (thiourea) technetium(III) ion as a starting material are summarized, together with the base hydrolysis reactions of Tc(III), Tc(IV) and Tc(V) complexes. (author)

  5. Chemistry in water reactors

    Hermansson, H.P.; Norring, K.

    1994-01-01

    The international conference Chemistry in Water Reactors was arranged in Nice 24-27/04/1994 by the French Nuclear Energy Society. Examples of technical program areas were primary chemistry, operational experience, fundamental studies and new technology. Furthermore there were sessions about radiation field build-up, hydrogen chemistry, electro-chemistry, condensate polishing, decontamination and chemical cleaning. The conference gave the impression that there are some areas that are going to be more important than others during the next few years to come. Cladding integrity: Professor Ishigure from Japan emphasized that cladding integrity is a subject of great concern, especially with respect to waterside corrosion, deposition and release of crud. Chemistry control: The control of the iron/nickel concentration quotient seems to be not as important as previously considered. The future operation of a nuclear power plant is going to require a better control of the water chemistry than achievable today. One example of this is solubility control via regulation in BWR. Trends in USA: means an increasing use of hydrogen, minimization of SCC/IASCC, minimization of radiation fields by thorough chemistry control, guarding fuel integrity by minimization of cladding corrosion and minimization of flow assisted corrosion. Stellite replacement: The search for replacement materials will continue. Secondary side crevice chemistry: Modeling and practical studies are required to increase knowledge about the crevice chemistry and how it develops under plant operation conditions. Inhibitors: Inhibitors for IGSCC and IGA as well for the primary- (zinc) as for the secondary side (Ti) should be studied. The effects and mode of operation of the inhibitors should be documented. Chemical cleaning: of heat transfer surfaces will be an important subject. Prophylactic cleaning at regular intervals could be one mode of operation

  6. Mathematics for physical chemistry

    Mortimer, Robert G

    2013-01-01

    Mathematics for Physical Chemistry is the ideal supplementary text for practicing chemists and students who want to sharpen their mathematics skills while enrolled in general through physical chemistry courses. This book specifically emphasizes the use of mathematics in the context of physical chemistry, as opposed to being simply a mathematics text. This 4e includes new exercises in each chapter that provide practice in a technique immediately after discussion or example and encourage self-study. The early chapters are constructed around a sequence of mathematical topics, wit

  7. Gas phase ion chemistry

    Bowers, Michael T

    1979-01-01

    Gas Phase Ion Chemistry, Volume 1 covers papers on the advances of gas phase ion chemistry. The book discusses the advances in flow tubes and the measurement of ion-molecule rate coefficients and product distributions; the ion chemistry of the earth's atmosphere; and the classical ion-molecule collision theory. The text also describes statistical methods in reaction dynamics; the state selection by photoion-photoelectron coincidence; and the effects of temperature and pressure in the kinetics of ion-molecule reactions. The energy distribution in the unimolecular decomposition of ions, as well

  8. Spatially Resolved Artificial Chemistry

    Fellermann, Harold

    2009-01-01

    Although spatial structures can play a crucial role in chemical systems and can drastically alter the outcome of reactions, the traditional framework of artificial chemistry is a well-stirred tank reactor with no spatial representation in mind. Advanced method development in physical chemistry has...... made a class of models accessible to the realms of artificial chemistry that represent reacting molecules in a coarse-grained fashion in continuous space. This chapter introduces the mathematical models of Brownian dynamics (BD) and dissipative particle dynamics (DPD) for molecular motion and reaction...

  9. Experiments in physical chemistry

    Wilson, J M; Denaro, A R

    1968-01-01

    Experiments in Physical Chemistry, Second Edition provides a compilation of experiments concerning physical chemistry. This book illustrates the link between the theory and practice of physical chemistry. Organized into three parts, this edition begins with an overview of those experiments that generally have a simple theoretical background. Part II contains experiments that are associated with more advanced theory or more developed techniques, or which require a greater degree of experimental skill. Part III consists of experiments that are in the nature of investigations wherein these invest

  10. Computational quantum chemistry website

    1997-01-01

    This report contains the contents of a web page related to research on the development of quantum chemistry methods for computational thermochemistry and the application of quantum chemistry methods to problems in material chemistry and chemical sciences. Research programs highlighted include: Gaussian-2 theory; Density functional theory; Molecular sieve materials; Diamond thin-film growth from buckyball precursors; Electronic structure calculations on lithium polymer electrolytes; Long-distance electronic coupling in donor/acceptor molecules; and Computational studies of NOx reactions in radioactive waste storage

  11. Spatially Resolved Artificial Chemistry

    Fellermann, Harold

    2009-01-01

    made a class of models accessible to the realms of artificial chemistry that represent reacting molecules in a coarse-grained fashion in continuous space. This chapter introduces the mathematical models of Brownian dynamics (BD) and dissipative particle dynamics (DPD) for molecular motion and reaction......Although spatial structures can play a crucial role in chemical systems and can drastically alter the outcome of reactions, the traditional framework of artificial chemistry is a well-stirred tank reactor with no spatial representation in mind. Advanced method development in physical chemistry has...

  12. DOE fundamentals handbook: Chemistry

    1993-01-01

    The Chemistry Handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of chemistry. The handbook includes information on the atomic structure of matter; chemical bonding; chemical equations; chemical interactions involved with corrosion processes; water chemistry control, including the principles of water treatment; the hazards of chemicals and gases, and basic gaseous diffusion processes. This information will provide personnel with a foundation for understanding the chemical properties of materials and the way these properties can impose limitations on the operation of equipment and systems

  13. A mini-max principle for drift waves and mesoscale fluctuations

    Itoh, S-I; Itoh, K

    2011-01-01

    A mini-max principle for the system of the drift waves and mesoscale fluctuations (e.g. zonal flows, etc) is studied. For the system of model equations a Lyapunov function is constructed, which takes the minimum when the stationary state is realized. The dynamical evolution describes the access to the state that is realized. The competition between different mesoscale fluctuations is explained. The origins of irreversibility that cause an approach to the stationary state are discussed. A selection rule among fluctuations is derived, and conditions, under which different kinds of mesocale fluctuations coexist, are investigated. An analogy of this minimum principle to the principle of 'minimum Helmholtz free energy' in thermal equilibrium is shown.

  14. Towards high resolution mapping of 3-D mesoscale dynamics from observations

    B. Buongiorno Nardelli

    2012-10-01

    Full Text Available The MyOcean R&D project MESCLA (MEsoSCaLe dynamical Analysis through combined model, satellite and in situ data was devoted to the high resolution 3-D retrieval of tracer and velocity fields in the oceans, based on the combination of in situ and satellite observations and quasi-geostrophic dynamical models. The retrieval techniques were also tested and compared with the output of a primitive equation model, with particular attention to the accuracy of the vertical velocity field as estimated through the Q vector formulation of the omega equation. The project focused on a test case, covering the region where the Gulf Stream separates from the US East Coast. This work demonstrated that innovative methods for the high resolution mapping of 3-D mesoscale dynamics from observations can be used to build the next generations of operational observation-based products.

  15. Mesoscale model parameterizations for radiation and turbulent fluxes at the lower boundary

    Somieski, F.

    1988-11-01

    A radiation parameterization scheme for use in mesoscale models with orography and clouds has been developed. Broadband parameterizations are presented for the solar and the terrestrial spectral ranges. They account for clear, turbid or cloudy atmospheres. The scheme is one-dimensional in the atmosphere, but the effects of mountains (inclination, shading, elevated horizon) are taken into account at the surface. In the terrestrial band, grey and black clouds are considered. Furthermore, the calculation of turbulent fluxes of sensible and latent heat and momentum at an inclined lower model boundary is described. Surface-layer similarity and the surface energy budget are used to evaluate the ground surface temperature. The total scheme is part of the mesoscale model MESOSCOP. (orig.) With 3 figs., 25 refs [de

  16. Defining Mediterranean and Black Sea biogeochemical subprovinces and synthetic ocean indicators using mesoscale oceanographic features

    Nieblas, Anne-Elise; Drushka, Kyla; Reygondeau, Gabriel

    2014-01-01

    variables to define integrative indices to monitor the environmental changes within each resultant subprovince at monthly resolutions. Using both the classical and mesoscale features, we find five biogeochemical subprovinces for the Mediterranean and Black Seas. Interestingly, the use of mesoscale variables......The Mediterranean and Black Seas are semi-enclosed basins characterized by high environmental variability and growing anthropogenic pressure. This has led to an increasing need for a bioregionalization of the oceanic environment at local and regional scales that can be used for managerial...... applications as a geographical reference. We aim to identify biogeochemical subprovinces within this domain, and develop synthetic indices of the key oceanographic dynamics of each subprovince to quantify baselines from which to assess variability and change. To do this, we compile a data set of 101 months...

  17. Cold Outbreaks at the Mesoscale in the Western Mediterranean Basin: From Raincells to Rainbands

    Jordi Mazon

    2017-01-01

    Full Text Available This paper investigates cold outbreaks that form offshore density currents within the whole mesoscale over the Western Mediterranean basin. Reflectivity radar and satellite images are used to detect clouds and precipitation that are associated with these density currents in the meso-α, meso-β, and meso-γ over the Western Mediterranean basin (WMB. Version 3.3 of the WRF-ARW model is used to describe the formation and evolution of these density currents and to estimate their lifetime as well as horizontal and vertical scales. Based on the observations and simulations, this paper suggests that a new perspective could effectively be adopted regarding the WMB region delineated by the Balearic Islands, the northeastern Iberian Peninsula, and the Gulf of Lion, where inland cold outbreaks develop into density currents that move offshore and can produce precipitation ranging from raincells to rainbands at the whole mesoscale.

  18. Nanoscale form dictates mesoscale function in plasmonic DNA–nanoparticle superlattices

    Ross, Michael B.; Ku, Jessie C.; Vaccarezza, Victoria M.; Schatz, George C.; Mirkin , Chad A. (NWU)

    2016-06-15

    The nanoscale manipulation of matter allows properties to be created in a material that would be difficult or even impossible to achieve in the bulk state. Progress towards such functional nanoscale architectures requires the development of methods to precisely locate nanoscale objects in three dimensions and for the formation of rigorous structure–function relationships across multiple size regimes (beginning from the nanoscale). Here, we use DNA as a programmable ligand to show that two- and three-dimensional mesoscale superlattice crystals with precisely engineered optical properties can be assembled from the bottom up. The superlattices can transition from exhibiting the properties of the constituent plasmonic nanoparticles to adopting the photonic properties defined by the mesoscale crystal (here a rhombic dodecahedron) by controlling the spacing between the gold nanoparticle building blocks. Furthermore, we develop a generally applicable theoretical framework that illustrates how crystal habit can be a design consideration for controlling far-field extinction and light confinement in plasmonic metamaterial superlattices.

  19. The mesoscale dispersion modeling system a simulation tool for development of an emergency response system

    Uliasz, M.

    1990-01-01

    The mesoscale dispersion modeling system is under continuous development. The included numerical models require further improvements and evaluation against data from meteorological and tracer field experiments. The system can not be directly applied to real time predictions. However, it seems to be a useful simulation tool for solving several problems related to planning the monitoring network and development of the emergency response system for the nuclear power plant located in a coastal area. The modeling system can be also applied to another environmental problems connected with air pollution dispersion in complex terrain. The presented numerical models are designed for the use on personal computers and are relatively fast in comparison with the similar mesoscale models developed on mainframe computers

  20. The impact of radiatively active water-ice clouds on Martian mesoscale atmospheric circulations

    Spiga, A.; Madeleine, J.-B.; Hinson, D.; Navarro, T.; Forget, F.

    2014-04-01

    Background and Goals Water ice clouds are a key component of the Martian climate [1]. Understanding the properties of the Martian water ice clouds is crucial to constrain the Red Planet's climate and hydrological cycle both in the present and in the past [2]. In recent years, this statement have become all the more true as it was shown that the radiative effects of water ice clouds is far from being as negligible as hitherto believed; water ice clouds plays instead a key role in the large-scale thermal structure and dynamics of the Martian atmosphere [3, 4, 5]. Nevertheless, the radiative effect of water ice clouds at lower scales than the large synoptic scale (the so-called meso-scales) is still left to be explored. Here we use for the first time mesoscale modeling with radiatively active water ice clouds to address this open question.

  1. THE APPLICATION OF AN EVOLUTIONARY ALGORITHM TO THE OPTIMIZATION OF A MESOSCALE METEOROLOGICAL MODEL

    Werth, D.; O' Steen, L.

    2008-02-11

    We show that a simple evolutionary algorithm can optimize a set of mesoscale atmospheric model parameters with respect to agreement between the mesoscale simulation and a limited set of synthetic observations. This is illustrated using the Regional Atmospheric Modeling System (RAMS). A set of 23 RAMS parameters is optimized by minimizing a cost function based on the root mean square (rms) error between the RAMS simulation and synthetic data (observations derived from a separate RAMS simulation). We find that the optimization can be efficient with relatively modest computer resources, thus operational implementation is possible. The optimization efficiency, however, is found to depend strongly on the procedure used to perturb the 'child' parameters relative to their 'parents' within the evolutionary algorithm. In addition, the meteorological variables included in the rms error and their weighting are found to be an important factor with respect to finding the global optimum.

  2. Design optimization under uncertainties of a mesoscale implant in biological tissues using a probabilistic learning algorithm

    Soize, C.

    2017-11-01

    This paper deals with the optimal design of a titanium mesoscale implant in a cortical bone for which the apparent elasticity tensor is modeled by a non-Gaussian random field at mesoscale, which has been experimentally identified. The external applied forces are also random. The design parameters are geometrical dimensions related to the geometry of the implant. The stochastic elastostatic boundary value problem is discretized by the finite element method. The objective function and the constraints are related to normal, shear, and von Mises stresses inside the cortical bone. The constrained nonconvex optimization problem in presence of uncertainties is solved by using a probabilistic learning algorithm that allows for considerably reducing the numerical cost with respect to the classical approaches.

  3. Non-thermally activated chemistry

    Stiller, W.

    1987-01-01

    The subject is covered under the following headings: state-of-the art of non-thermally activated chemical processes; basic phenomena in non-thermal chemistry including mechanochemistry, photochemistry, laser chemistry, electrochemistry, photo-electro chemistry, high-field chemistry, magneto chemistry, plasma chemistry, radiation chemistry, hot-atom chemistry, and positronium and muonium chemistry; elementary processes in non-thermal chemistry including nuclear chemistry, interactions of electromagnetic radiations, electrons and heavy particles with matter, ionic elementary processes, elementary processes with excited species, radicalic elementary processes, and energy-induced elementary processes on surfaces and interfaces; and comparative considerations. An appendix with historical data and a subject index is given. 44 figs., 41 tabs., and 544 refs

  4. Coastal Foredune Evolution, Part 2: Modeling Approaches for Meso-Scale Morphologic Evolution

    2017-03-01

    for Meso-Scale Morphologic Evolution by Margaret L. Palmsten1, Katherine L. Brodie2, and Nicholas J. Spore2 PURPOSE: This Coastal and Hydraulics ...managers because foredunes provide ecosystem services and can reduce storm damages to coastal infrastructure, both of which increase the resiliency...MS 2 U.S. Army Engineer Research and Development Center, Coastal and Hydraulics Laboratory, Duck, NC ERDC/CHL CHETN-II-57 March 2017 2 models of

  5. Mesoscale distribution of Oikopleura and Fritillaria (Appendicularia) in the Southern Gulf of Mexico: spatial segregation

    Flores-Coto, César; Sanvicente-Añorve, Laura; Vázquez-Gutiérrez, Felipe; Sánchez-Ramírez, Marina

    2010-01-01

    The mesoscale spatial distribution of Oikopleura and Fritillaria in the southern Gulf of Mexico was analyzed to know the existence of segregation between them. Samples were taken on 97 stations in the 50 m upper layer. Temperature, salinity and turbidity were measured. The spatial segregation index 'D' was applied to Oikopleura and Fritillaria densities and its significance was tested with Monte Carlo method. Regression Tree (RT) analyses were performed to identify the main environmental fact...

  6. Framework of cloud parameterization including ice for 3-D mesoscale models

    Levkov, L; Jacob, D; Eppel, D; Grassl, H

    1989-01-01

    A parameterization scheme for the simulation of ice in clouds incorporated into the hydrostatic version of the GKSS three-dimensional mesoscale model. Numerical simulations of precipitation are performed: over the Northe Sea, the Hawaiian trade wind area and in the region of the intertropical convergence zone. Not only some major features of convective structures in all three areas but also cloud-aerosol interactions have successfully been simulated. (orig.) With 19 figs., 2 tabs.

  7. Spatially explicit simulation of peatland hydrology and carbon dioxide exchange: Influence of mesoscale topography

    Sonnentag, O.; Chen, J. M.; Roulet, N. T.; Ju, W.; Govind, A.

    2008-06-01

    Carbon dynamics in peatlands are controlled, in large part, by their wetness as defined by water table depth and volumetric liquid soil moisture content. A common type of peatland is raised bogs that typically have a multiple-layer canopy of vascular plants over a Sphagnum moss ground cover. Their convex form restricts water supply to precipitation and water is shed toward the margins, usually by lateral subsurface flow. The hydraulic gradient for lateral subsurface flow is governed by the peat surface topography at the mesoscale (˜200 m to 5 km). To investigate the influence of mesoscale topography on wetness, evapotranspiration (ET), and gross primary productivity (GPP) in a bog during the snow-free period, we compare the outputs of a further developed version of the daily Boreal Ecosystem Productivity Simulator (BEPS) with observations made at the Mer Bleue peatland, located near Ottawa, Canada. Explicitly considering mesoscale topography, simulated total ET and GPP correlate well with measured ET (r = 0.91) and derived gross ecosystem productivity (GEP; r = 0.92). Both measured ET and derived GEP are simulated similarly well when mesoscale topography is neglected, but daily simulated values are systematically underestimated by about 10% and 12% on average, respectively, due to greater wetness resulting from the lack of lateral subsurface flow. Owing to the differences in moss surface conductances of water vapor and carbon dioxide with increasing moss water content, the differences in the spatial patterns of simulated total ET and GPP are controlled by the mesotopographic position of the moss ground cover.

  8. Nano and Mesoscale Ion and Water Transport in Perfluorosulfonic AcidMembranes

    2017-10-01

    Nano- and Mesoscale Ion and Water Transport in Perfluorosulfonic-Acid Membranes A. R. Crothers a,b , C. J. Radke a,b , A. Z. Weber a a...Berkeley, CA 94720, USA Water and aqueous cations transport along multiple length scales in perfluorosulfonic-acid membranes. Molecular interactions...as a function of hydration. A resistor network upscales the nanoscale properties to predict effective membrane ion and water transport and their

  9. The Impact of Microphysics on Intensity and Structure of Hurricanes and Mesoscale Convective Systems

    Tao, Wei-Kuo; Shi, Jainn J.; Jou, Ben Jong-Dao; Lee, Wen-Chau; Lin, Pay-Liam; Chang, Mei-Yu

    2007-01-01

    During the past decade, both research and operational numerical weather prediction models, e.g. Weather Research and Forecast (WRF) model, have started using more complex microphysical schemes originally developed for high-resolution cloud resolving models (CRMs) with a 1-2 km or less horizontal resolutions. WRF is a next-generation mesoscale forecast model and assimilation system that has incorporated modern software framework, advanced dynamics, numeric and data assimilation techniques, a multiple moveable nesting capability, and improved physical packages. WRF model can be used for a wide range of applications, from idealized research to operational forecasting, with an emphasis on horizontal grid sizes in the range of 1-10 km. The current WRF includes several different microphysics options such as Purdue Lin et al. (1983), WSM 6-class and Thompson microphysics schemes. We have recently implemented three sophisticated cloud microphysics schemes into WRF. The cloud microphysics schemes have been extensively tested and applied for different mesoscale systems in different geographical locations. The performances of these schemes have been compared to those from other WRF microphysics options. We are performing sensitivity tests in using WRF to examine the impact of six different cloud microphysical schemes on precipitation processes associated hurricanes and mesoscale convective systems developed at different geographic locations [Oklahoma (IHOP), Louisiana (Hurricane Katrina), Canada (C3VP - snow events), Washington (fire storm), India (Monsoon), Taiwan (TiMREX - terrain)]. We will determine the microphysical schemes for good simulated convective systems in these geographic locations. We are also performing the inline tracer calculation to comprehend the physical processes (i.e., boundary layer and each quadrant in the boundary layer) related to the development and structure of hurricanes and mesoscale convective systems.

  10. Impacts of Mesoscale Eddies on the Vertical Nitrate Flux in the Gulf Stream Region

    Zhang, Shuwen; Curchitser, Enrique N.; Kang, Dujuan; Stock, Charles A.; Dussin, Raphael

    2018-01-01

    The Gulf Stream (GS) region has intense mesoscale variability that can affect the supply of nutrients to the euphotic zone (Zeu). In this study, a recently developed high-resolution coupled physical-biological model is used to conduct a 25-year simulation in the Northwest Atlantic. The Reynolds decomposition method is applied to quantify the nitrate budget and shows that the mesoscale variability is important to the vertical nitrate supply over the GS region. The decomposition, however, cannot isolate eddy effects from those arising from other mesoscale phenomena. This limitation is addressed by analyzing a large sample of eddies detected and tracked from the 25-year simulation. The eddy composite structures indicate that positive nitrate anomalies within Zeu exist in both cyclonic eddies (CEs) and anticyclonic eddies (ACEs) over the GS region, and are even more pronounced in the ACEs. Our analysis further indicates that positive nitrate anomalies mostly originate from enhanced vertical advective flux rather than vertical turbulent diffusion. The eddy-wind interaction-induced Ekman pumping is very likely the mechanism driving the enhanced vertical motions and vertical nitrate transport within ACEs. This study suggests that the ACEs in GS region may play an important role in modulating the oceanic biogeochemical properties by fueling local biomass production through the persistent supply of nitrate.

  11. Mesoscale mixing of the Denmark Strait Overflow in the Irminger Basin

    Koszalka, Inga M.; Haine, Thomas W. N.; Magaldi, Marcello G.

    2017-04-01

    The Denmark Strait Overflow (DSO) is a major export route for dense waters from the Nordic Seas forming the lower limb of the Atlantic Meridional Overturning Circulation, an important element of the climate system. Mixing processes along the DSO pathway influence its volume transport and properties contributing to the variability of the deep overturning circulation. They are poorly sampled by observations, however, which hinders development of a proper DSO representation in global circulation models. We employ a high resolution regional ocean model of the Irminger Basin to quantify impact of the mesoscale flows on DSO mixing focusing on geographical localization and the time-modulation of water property changes. The model reproduces the observed bulk warming of the DSO plume 100-200 km downstream of the Denmark Strait sill. It also reveals that mesoscale variability of the overflow ('DSO-eddies', of 20-30 km extent and a time scale of 2-5 day) modulates water property changes and turbulent mixing, diagnosed with the vertical shear of horizontal velocity and the eddy heat flux divergence. The space-time localization of the DSO mixing and warming and the role of coherent mesoscale structures should be explored by turbulence measurements and factored into the coarse circulation models.

  12. Simulation of mesoscale circulation in the Tatar Strait of the Japan Sea

    Ponomarev, V. I.; Fayman, P. A.; Prants, S. V.; Budyansky, M. V.; Uleysky, M. Yu.

    2018-06-01

    The eddy-resolved ocean circulation model RIAMOM (Lee et al., 2003) is used to analyze seasonal variability of mesoscale circulation in the Tatar Strait of the Japan Sea. The model domain is a vast area including the northern Japan Sea, Okhotsk Sea and adjacent region in the Pacific Ocean. A numerical experiment with a horizontal 1/18° resolution has been carried out under realistic meteorological conditions from the ECMWF ERA-40 reanalysis with restoring of surface temperature and salinity. The simulated seasonal variability of both the current system and mesoscale eddy dynamics in the Tatar Strait is in a good agreement with temperature and salinity distributions of oceanographic observation data collected during various seasons and years. Two general circulation regimes in the Strait have been found. The circulation regime changes from summer to winter due to seasonal change of the North Asian Monsoon. On a synoptic time scale, the similar change of the circulation regime occurs due to change of the southeastern wind to the northwestern one when the meteorological situation with an anticyclone over the Okhotsk Sea changes to that with a strong cyclone. The Lagrangian maps illustrate seasonal changes in direction of the main currents and in polarity and location of mesoscale eddies in the Strait.

  13. Visualizing Current Flow at the Mesoscale in Disordered Assemblies of Touching Semiconductor Nanocrystals

    Chen, Qinyi; Guest, Jeffrey R. [Center; Thimsen, Elijah

    2017-07-12

    The transport of electrons through assemblies of nanocrystals is important to performance in optoelectronic applications for these materials. Previous work has primarily focused on single nanocrystals or transitions between pairs of nanocrystals. There is a gap in knowledge of how large numbers of nanocrystals in an assembly behave collectively, and how this collective behavior manifests at the mesoscale. In this work, the variable range hopping (VRH) transport of electrons in disordered assemblies of touching, heavily doped ZnO nanocrystals was visualized at the mesoscale as a function of temperature both theoretically, using the model of Skinner, Chen and Shklovskii (SCS), and experimentally, with conductive atomic force microscopy on ultrathin films only a few particle layers thick. Agreement was obtained between the model and experiments, with a few notable exceptions. The SCS model predicts that a single network within the nanocrystal assembly, comprised of sites connected by small resistances, dominates conduction - namely the optimum band from variable range hopping theory. However, our experiments revealed that in addition to the optimum band, there are subnetworks that appear as additional peaks in the resistance histogram of conductive atomic force microscopy (CAFM) maps. Furthermore, the connections of these subnetworks to the optimum band change in time, such that some subnetworks become connected to the optimum band while others become disconnected and isolated from the optimum band; this observation appears to be an experimental manifestation of the ‘blinking’ phenomenon in our images of mesoscale transport.

  14. Global Ocean Circulation in Thermohaline Coordinates and Small-scale and Mesoscale mixing: An Inverse Estimate.

    Groeskamp, S.; Zika, J. D.; McDougall, T. J.; Sloyan, B.

    2016-02-01

    I will present results of a new inverse technique that infers small-scale turbulent diffusivities and mesoscale eddy diffusivities from an ocean climatology of Salinity (S) and Temperature (T) in combination with surface freshwater and heat fluxes.First, the ocean circulation is represented in (S,T) coordinates, by the diathermohaline streamfunction. Framing the ocean circulation in (S,T) coordinates, isolates the component of the circulation that is directly related to water-mass transformation.Because water-mass transformation is directly related to fluxes of salt and heat, this framework allows for the formulation of an inverse method in which the diathermohaline streamfunction is balanced with known air-sea forcing and unknown mixing. When applying this inverse method to observations, we obtain observationally based estimates for both the streamfunction and the mixing. The results reveal new information about the component of the global ocean circulation due to water-mass transformation and its relation to surface freshwater and heat fluxes and small-scale and mesoscale mixing. The results provide global constraints on spatially varying patterns of diffusivities, in order to obtain a realistic overturning circulation. We find that mesoscale isopycnal mixing is much smaller than expected. These results are important for our understanding of the relation between global ocean circulation and mixing and may lead to improved parameterisations in numerical ocean models.

  15. Changes in Microbial Plankton Assemblages Induced by Mesoscale Oceanographic Features in the Northern Gulf of Mexico.

    Alicia K Williams

    Full Text Available Mesoscale circulation generated by the Loop Current in the Northern Gulf of Mexico (NGOM delivers growth-limiting nutrients to the microbial plankton of the euphotic zone. Consequences of physicochemically driven community shifts on higher order consumers and subsequent impacts on the biological carbon pump remain poorly understood. This study evaluates microbial plankton <10 μm abundance and community structure across both cyclonic and anti-cyclonic circulation features in the NGOM using flow cytometry (SYBR Green I and autofluorescence parameters. Non-parametric multivariate hierarchical cluster analyses indicated that significant spatial variability in community structure exists such that stations that clustered together were defined as having a specific 'microbial signature' (i.e. statistically homogeneous community structure profiles based on relative abundance of microbial groups. Salinity and a combination of sea surface height anomaly and sea surface temperature were determined by distance based linear modeling to be abiotic predictor variables significantly correlated to changes in microbial signatures. Correlations between increased microbial abundance and availability of nitrogen suggest nitrogen-limitation of microbial plankton in this open ocean area. Regions of combined coastal water entrainment and mesoscale convergence corresponded to increased heterotrophic prokaryote abundance relative to autotrophic plankton. The results provide an initial assessment of how mesoscale circulation potentially influences microbial plankton abundance and community structure in the NGOM.

  16. Evaluation of kriging based surrogate models constructed from mesoscale computations of shock interaction with particles

    Sen, Oishik, E-mail: oishik-sen@uiowa.edu [Mechanical and Industrial Engineering, The University of Iowa, Iowa City, IA 52242 (United States); Gaul, Nicholas J., E-mail: nicholas-gaul@ramdosolutions.com [RAMDO Solutions, LLC, Iowa City, IA 52240 (United States); Choi, K.K., E-mail: kyung-choi@uiowa.edu [Mechanical and Industrial Engineering, The University of Iowa, Iowa City, IA 52242 (United States); Jacobs, Gustaaf, E-mail: gjacobs@sdsu.edu [Aerospace Engineering, San Diego State University, San Diego, CA 92115 (United States); Udaykumar, H.S., E-mail: hs-kumar@uiowa.edu [Mechanical and Industrial Engineering, The University of Iowa, Iowa City, IA 52242 (United States)

    2017-05-01

    Macro-scale computations of shocked particulate flows require closure laws that model the exchange of momentum/energy between the fluid and particle phases. Closure laws are constructed in this work in the form of surrogate models derived from highly resolved mesoscale computations of shock-particle interactions. The mesoscale computations are performed to calculate the drag force on a cluster of particles for different values of Mach Number and particle volume fraction. Two Kriging-based methods, viz. the Dynamic Kriging Method (DKG) and the Modified Bayesian Kriging Method (MBKG) are evaluated for their ability to construct surrogate models with sparse data; i.e. using the least number of mesoscale simulations. It is shown that if the input data is noise-free, the DKG method converges monotonically; convergence is less robust in the presence of noise. The MBKG method converges monotonically even with noisy input data and is therefore more suitable for surrogate model construction from numerical experiments. This work is the first step towards a full multiscale modeling of interaction of shocked particle laden flows.

  17. Radionuclides in analytical chemistry

    Tousset, J.

    1984-01-01

    Applications of radionuclides in analytical chemistry are reviewed in this article: tracers, radioactive sources and activation analysis. Examples are given in all these fields and it is concluded that these methods should be used more widely [fr

  18. Electrostatics in Chemistry

    Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 7. Electrostatics in Chemistry - Molecular Electrostatic Potential: Visualization and Topography. Shridhar R Gadre Pravin K Bhadane. Series Article Volume 4 Issue 7 July 1999 pp 14-23 ...

  19. Organic Chemistry Masterclasses

    of Science Education that is published monthly by the Academy since January 1996. ...... Modern chemistry is also emerging from molecules derived from the .... photochemical reactions, the traditional correlation diagram approach is more ...

  20. Alcohol combustion chemistry

    Sarathy, Mani; Oß wald, Patrick; Hansen, Nils; Kohse-Hö inghaus, Katharina

    2014-01-01

    . While biofuel production and its use (especially ethanol and biodiesel) in internal combustion engines have been the focus of several recent reviews, a dedicated overview and summary of research on alcohol combustion chemistry is still lacking. Besides

  1. General Chemistry for Engineers.

    Kybett, B. D.

    1982-01-01

    Discusses the relationship between molecular structure, intermolecular forces, and tensile strengths of a polymer and suggests that this is a logical way to introduce polymers into a general chemistry course. (Author/JN)

  2. WHAT MAKES CHEMISTRY DIFFICULT?

    IICBA01

    School of Natural and Computational Science Dire Dawa University, Ethiopia,. 2 ... lack of teaching aids and the difficulty of the language of chemistry. ... lab every other week consisting of concept pretests on the web, hand-written homework, ...

  3. Indicators: Soil Chemistry

    The chemical makeup of the soil can provide information on wetland condition, wetland water quality and services being provided by the wetland ecosystem. Analyzing soil chemistry reveals if the soil is contaminated with a toxic chemical or heavy metal.

  4. Applications of supramolecular chemistry

    Schneider, Hans-Jörg

    2012-01-01

    ""The time is ripe for the present volume, which gathers thorough presentations of the numerous actually realized or potentially accessible applications of supramolecular chemistry by a number of the leading figures in the field. The variety of topics covered is witness to the diversity of the approaches and the areas of implementation…a broad and timely panorama of the field assembling an eminent roster of contributors.""-Jean-Marie Lehn, 1987 Noble Prize Winner in Chemistry

  5. Gas phase ion chemistry

    Bowers, Michael T

    1979-01-01

    Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation

  6. Reference Sources in Chemistry

    Sthapit, Dilip Man

    1995-01-01

    Information plays an important role in the development of every field. Therefore a brief knowledge regarding information sources is necessary to function in any field. There are many information sources about scientific and technical subjects. In this context there are many reference sources in Chemistry too. Chemistry is one important part of the science which deals with the study of the composition of substances and the chemical changes that they undergo. The purpose of this report is...

  7. Quantitative analysis chemistry

    Ko, Wansuk; Lee, Choongyoung; Jun, Kwangsik; Hwang, Taeksung

    1995-02-01

    This book is about quantitative analysis chemistry. It is divided into ten chapters, which deal with the basic conception of material with the meaning of analysis chemistry and SI units, chemical equilibrium, basic preparation for quantitative analysis, introduction of volumetric analysis, acid-base titration of outline and experiment examples, chelate titration, oxidation-reduction titration with introduction, titration curve, and diazotization titration, precipitation titration, electrometric titration and quantitative analysis.

  8. Chemistry and nuclear technology

    De Wet, W.J.

    1977-01-01

    The underlying principles of nuclear sciece and technology as based on the two basic phenomena, namely, radioactivity and nuclear reactions, with their relatively large associated energy changes, are outlined. The most important contributions by chemists in the overall historical development are mentioned and the strong position chemistry has attained in these fields is indicated. It is concluded that chemistry as well as many other scientific discplines (apart from general benefits) have largely benefitted from these nuclear developments [af

  9. EPA Environmental Chemistry Laboratory

    1993-01-01

    The Environmental Protection Agency's (EPA) Chemistry Laboratory (ECL) is a national program laboratory specializing in residue chemistry analysis under the jurisdiction of the EPA's Office of Pesticide Programs in Washington, D.C. At Stennis Space Center, the laboratory's work supports many federal anti-pollution laws. The laboratory analyzes environmental and human samples to determine the presence and amount of agricultural chemicals and related substances. Pictured, ECL chemists analyze environmental and human samples for the presence of pesticides and other pollutants.

  10. Fundamentals of quantum chemistry

    House, J E

    2004-01-01

    An introduction to the principles of quantum mechanics needed in physical chemistry. Mathematical tools are presented and developed as needed and only basic calculus, chemistry, and physics is assumed. Applications include atomic and molecular structure, spectroscopy, alpha decay, tunneling, and superconductivity. New edition includes sections on perturbation theory, orbital symmetry of diatomic molecules, the Huckel MO method and Woodward/Hoffman rules as well as a new chapter on SCF and Hartree-Fock methods. * This revised text clearly presents basic q

  11. Tropical Soil Chemistry

    Borggaard, Ole K.

    and environmental protection. Tropical Soil Chemistry by Ole K. Borggaard provides an overview of the composition, occurrence, properties, processes, formation, and environmental vulnerability of various tropical soil types (using American Soil Taxonomy for classification). The processes and the external factors...... soil chemical issues are also presented to assess when, why, and how tropical soils differ from soils in other regions. This knowledge can help agricultural specialists in the tropics establish sustainable crop production. Readers are assumed to be familiar with basic chemistry, physics...

  12. Henry Taube and Coordination Chemistry

    dropdown arrow Site Map A-Z Index Menu Synopsis Henry Taube and Coordination Chemistry Resources with Professor of Chemistry, Emeritus, at Stanford University, received the 1983 Nobel Prize in Chemistry " there from 1940-41. "I became deeply interested in chemistry soon after I came to Berkeley,"

  13. Impact of SLA assimilation in the Sicily Channel Regional Model: model skills and mesoscale features

    A. Olita

    2012-07-01

    Full Text Available The impact of the assimilation of MyOcean sea level anomalies along-track data on the analyses of the Sicily Channel Regional Model was studied. The numerical model has a resolution of 1/32° degrees and is capable to reproduce mesoscale and sub-mesoscale features. The impact of the SLA assimilation is studied by comparing a simulation (SIM, which does not assimilate data with an analysis (AN assimilating SLA along-track multi-mission data produced in the framework of MyOcean project. The quality of the analysis was evaluated by computing RMSE of the misfits between analysis background and observations (sea level before assimilation. A qualitative evaluation of the ability of the analyses to reproduce mesoscale structures is accomplished by comparing model results with ocean colour and SST satellite data, able to detect such features on the ocean surface. CTD profiles allowed to evaluate the impact of the SLA assimilation along the water column. We found a significant improvement for AN solution in terms of SLA RMSE with respect to SIM (the averaged RMSE of AN SLA misfits over 2 years is about 0.5 cm smaller than SIM. Comparison with CTD data shows a questionable improvement produced by the assimilation process in terms of vertical features: AN is better in temperature while for salinity it gets worse than SIM at the surface. This suggests that a better a-priori description of the vertical error covariances would be desirable. The qualitative comparison of simulation and analyses with synoptic satellite independent data proves that SLA assimilation allows to correctly reproduce some dynamical features (above all the circulation in the Ionian portion of the domain and mesoscale structures otherwise misplaced or neglected by SIM. Such mesoscale changes also infer that the eddy momentum fluxes (i.e. Reynolds stresses show major changes in the Ionian area. Changes in Reynolds stresses reflect a different pumping of eastward momentum from the eddy to

  14. Gasdynamic modeling and parametric study of mesoscale internal combustion swing engine/generator systems

    Gu, Yongxian

    The demand of portable power generation systems for both domestic and military applications has driven the advances of mesoscale internal combustion engine systems. This dissertation was devoted to the gasdynamic modeling and parametric study of the mesoscale internal combustion swing engine/generator systems. First, the system-level thermodynamic modeling for the swing engine/generator systems has been developed. The system performance as well as the potentials of both two- and four-stroke swing engine systems has been investigated based on this model. Then through parameterc studies, the parameters that have significant impacts on the system performance have been identified, among which, the burn time and spark advance time are the critical factors related to combustion process. It is found that the shorter burn time leads to higher system efficiency and power output and the optimal spark advance time is about half of the burn time. Secondly, the turbulent combustion modeling based on levelset method (G-equation) has been implemented into the commercial software FLUENT. Thereafter, the turbulent flame propagation in a generic mesoscale combustion chamber and realistic swing engine chambers has been studied. It is found that, in mesoscale combustion engines, the burn time is dominated by the mean turbulent kinetic energy in the chamber. It is also shown that in a generic mesoscale combustion chamber, the burn time depends on the longest distance between the initial ignition kernel to its walls and by changing the ignition and injection locations, the burn time can be reduced by a factor of two. Furthermore, the studies of turbulent flame propagation in real swing engine chambers show that the combustion can be enhanced through in-chamber turbulence augmentation and with higher engine frequency, the burn time is shorter, which indicates that the in-chamber turbulence can be induced by the motion of moving components as well as the intake gas jet flow. The burn time

  15. Intercomparison of state-of-the-art models for wind energy resources with mesoscale models:

    Olsen, Bjarke Tobias; Hahmann, Andrea N.; Sempreviva, Anna Maria; Badger, Jake; Joergensen, Hans E.

    2016-04-01

    1. Introduction Mesoscale models are increasingly being used to estimate wind conditions to identify perspective areas and sites where to develop wind farm projects. Mesoscale models are functional for giving information over extensive areas with various terrain complexities where measurements are scarce and measurement campaigns costly. Several mesoscale models and families of models are being used, and each often contains thousands of setup options. Since long-term integrations are expensive and tedious to carry out, only limited comparisons exist. To remedy this problem and for evaluating the capabilities of mesoscale models to estimate site wind conditions, a tailored benchmarking study has been co-organized by the European Wind Energy Association (EWEA) and the European Energy Research Alliance Joint Programme Wind Energy (EERA JP WIND). EWEA hosted results and ensured that participants were anonymous. The blind evaluation was performed at the Wind Energy Department of the Technical University of Denmark (DTU) with the following objectives: (1) To highlight common issues on mesoscale modelling of wind conditions on sites with different characteristics, and (2) To identify gaps and strengths of models and understand the root conditions for further evaluating uncertainties. 2. Approach Three experimental sites were selected: FINO 3 (offshore, GE), Høvsore (coastal, DK), and Cabauw (land-based, NL), and three other sites without observations based on . The three mast sites were chosen because the availability of concurrent suitable time series of vertical profiles of winds speed and other surface parameters. The participants were asked to provide hourly time series of wind speed, wind direction, temperature, etc., at various vertical heights for a complete year. The methodology used to derive the time series was left to the choice of the participants, but they were asked for a brief description of their model and many other parameters (e.g., horizontal and

  16. AECL research programs in chemistry

    Crocker, I.H.; Eastwood, T.A.; Smith, D.R.; Stewart, R.B.; Tomlinson, M.; Torgerson, D.F.

    1980-09-01

    Fundamental or underlying research in chemistry is being done in AECL laboratories to further the understanding of processes involved in current nuclear energy systems and maintain an awareness of progress at the frontiers of chemical research so that new advances can be turned to advantage in future AECL endeavours. The report introduces the current research topics and describes them briefly under the following headings: radiation chemistry, isotope separation, high temperature solution chemistry, fuel reprocessing chemistry, and analytical chemistry. (auth)

  17. Annual report 1983 Chemistry Department

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1984-05-01

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1983 are presented. The facilities and equipment are barely mentioned. The activities are divided into nine groups: 1. radioisotope chemistry 2. analytical- and organic chemistry 3. environmental chemistry 4. polymer chemistry 5. geochemistry and waste disposal 6. radical chemstry 7. positron annihilation 8. mineral processing 9. general. (author)

  18. Extreme precipitation response to climate perturbations in an atmospheric mesoscale model

    Attema, Jisk J; Loriaux, Jessica M; Lenderink, Geert

    2014-01-01

    Observations of extreme (sub-)hourly precipitation at mid-latitudes show a large dependency on the dew point temperature often close to 14% per degree—2 times the dependency of the specific humidity on dew point temperature which is given by the Clausius–Clapeyron (CC) relation. By simulating a selection of 11 cases over the Netherlands characterized by intense showers, we investigate this behavior in the non-hydrostatic weather prediction model Harmonie at a resolution of 2.5 km. These experiments are repeated using perturbations of the atmospheric profiles of temperature and humidity: (i) using an idealized approach with a 2° warmer (colder) atmosphere assuming constant relative humidity, and (ii) using changes in temperature and humidity derived from a long climate change simulation at 2° global warming. All perturbations have a difference in the local dew point temperature compared to the reference of approximately 2°. Differences are considerable between the cases, with dependencies ranging from almost zero to an increase of 18% per degree rise of the dew point temperature. On average however, we find an increase of extreme precipitation intensity of 11% per degree for the idealized perturbation, and 9% per degree for the climate change perturbation. For the most extreme events these dependencies appear to approach a rate of 11–14% per degree, in closer agreement with the observed relation. (paper)

  19. Chemistry and climate change

    Bernier, Jean-Claude; Brasseur, Guy; Brechet, Yves; Candel, Sebastien; Cazenave, Anny; Courtillot, Vincent; Fontecave, Marc; Garnier, Emmanuel; Goebel, Philippe; Legrand, Jack; Legrand, Michel; Le Treut, Herve; Mauberger, Pascal; Dinh-Audouin, Minh-Thu; Olivier, Daniele; Rigny, Paul; Bigot, Bernard

    2016-01-01

    In its first part, this collective publication addresses the decennial and centuries-old variations of climate: perspectives and implications of climate change for the 21. century, questions remaining about the understanding of climate change from its sources to its modelling, extreme climate variations and societies during the last millennium. The contributions of the second part outline how chemistry is a tool to study climate change: ice chemistry as an archive of our past environment, observations and predictions on sea level rise, relationship between atmosphere chemistry and climate. The third set of contributions discusses the transformation of the energy system for a cleaner atmosphere and the management of the climate risk: the chemical processing of CO_2, actions of chemical companies to support the struggle against climate change, relationship between barrel price and renewable energies, relationship between grid complexity and green energy. The last part outlines the role chemistry can have to be able to do without fossil fuels: chemistry in front of challenges of transformation of the energy system, the use of micro-algae, the use of hydrogen as a vector of energy transition

  20. Technetium Chemistry in HLW

    Hess, Nancy J.; Felmy, Andrew R.; Rosso, Kevin M.; Xia Yuanxian

    2005-01-01

    Tc contamination is found within the DOE complex at those sites whose mission involved extraction of plutonium from irradiated uranium fuel or isotopic enrichment of uranium. At the Hanford Site, chemical separations and extraction processes generated large amounts of high level and transuranic wastes that are currently stored in underground tanks. The waste from these extraction processes is currently stored in underground High Level Waste (HLW) tanks. However, the chemistry of the HLW in any given tank is greatly complicated by repeated efforts to reduce volume and recover isotopes. These processes ultimately resulted in mixing of waste streams from different processes. As a result, the chemistry and the fate of Tc in HLW tanks are not well understood. This lack of understanding has been made evident in the failed efforts to leach Tc from sludge and to remove Tc from supernatants prior to immobilization. Although recent interest in Tc chemistry has shifted from pretreatment chemistry to waste residuals, both needs are served by a fundamental understanding of Tc chemistry

  1. Two case studies on the interaction of large-scale transport, mesoscale photochemistry, and boundary-layer processes on the lower tropospheric ozone dynamics in early spring

    S. Brönnimann

    2001-04-01

    Full Text Available The vertical distribution of ozone in the lower troposphere over the Swiss Plateau is investigated in detail for two episodes in early spring (February 1998 and March 1999. Profile measurements of boundary-layer ozone performed during two field campaigns with a tethered balloon sounding system and a kite are investigated using regular aerological and ozone soundings from a nearby site, measurements from monitoring stations at various altitudes, backward trajectories, and synoptic analyses of meteorological fields. Additionally, the effect of in situ photochemistry was estimated for one of the episodes employing the Metphomod Eulerian photochemical model. Although the meteorological situations were completely different, both cases had elevated layers with high ozone concentrations, which is not untypical for late winter and early spring. In the February episode, the highest ozone concentrations of 55 to 60 ppb, which were found at around 1100 m asl, were partly advected from Southern France, but a considerable contribution of in situ photochemistry is also predicted by the model. Below that elevation, the local chemical sinks and surface deposition probably overcompensated chemical production, and the vertical ozone distribution was governed by boundary-layer dynamics. In the March episode, the results suggest that ozone-rich air parcels, probably of stratospheric or upper tropospheric origin, were advected aloft the boundary layer on the Swiss Plateau.Key words. Atmospheric composition and structure (pollution – urban and regional; troposphere – composition and  chemistry – Meteorology and atmospheric dynamics (mesoscale meteorology

  2. Environments of Long-Lived Mesoscale Convective Systems Over the Central United States in Convection Permitting Climate Simulations: Long-Lived Mesoscale Convective Systems

    Yang, Qing [Atmospheric Sciences and Global Change Division, Pacific Northwest National Laboratory, Richland WA USA; Houze, Robert A. [Atmospheric Sciences and Global Change Division, Pacific Northwest National Laboratory, Richland WA USA; Department of Atmospheric Sciences, University of Washington, Seattle WA USA; Leung, L. Ruby [Atmospheric Sciences and Global Change Division, Pacific Northwest National Laboratory, Richland WA USA; Feng, Zhe [Atmospheric Sciences and Global Change Division, Pacific Northwest National Laboratory, Richland WA USA

    2017-12-27

    Continental-scale convection-permitting simulations of the warm seasons of 2011 and 2012 reproduce realistic structure and frequency distribution of lifetime and event mean precipitation of mesoscale convective systems (MCSs) over the central United States. Analysis is performed to determine the environmental conditions conducive to generating the longest-lived MCSs and their subsequent interactions. The simulations show that MCSs systematically form over the Great Plains ahead of a trough in the westerlies in combination with an enhanced low-level jet from the Gulf of Mexico. These environmental properties at the time of storm initiation are most prominent for the MCSs that persist for the longest times. Systems reaching 9 h or more in lifetime exhibit feedback to the environment conditions through diabatic heating in the MCS stratiform regions. As a result, the parent synoptic-scale wave is strengthened as a divergent perturbation develops over the MCS at high levels, while a cyclonic circulation perturbation develops in the midlevels of the trough, where the vertical gradient of heating in the MCS region is maximized. The quasi-balanced mesoscale vortex helps to maintain the MCS over a long period of time by feeding dry, cool air into the environment at the rear of the MCS region, so that the MCS can draw in air that increases the evaporative cooling that helps maintain the MCS. At lower levels the south-southeasterly jet of warm moist air from the Gulf is enhanced in the presence of the synoptic-scale wave. That moisture supply is essential to the continued redevelopment of the MCS.

  3. Chemistry of plutonium revealed

    Connick, R.E.

    1992-01-01

    In 1941 one goal of the Manhattan Project was to unravel the chemistry of the synthetic element plutonium as rapidly as possible. In this paper the work carried out at Berkeley from the spring of 1942 to the summer of 1945 is described briefly. The aqueous chemistry of plutonium is quite remarkable. Important insights were obtained from tracer experiments, but the full complexity was not revealed until macroscopic amounts (milligrams) became available. Because processes for separation from fission products were based on aqueous solutions, such solution chemistry was emphasized, particularly precipitation and oxidation-reduction behavior. The latter turned out to be unusually intricate when it was discovered that two more oxidation states existed in aqueous solution than had previously been suspected. Further, an equilibrium was rapidly established among the four aqueous oxidation states, while at the same time any three were not in equilibrium. These and other observations made while doing a crash study of a previously unknown element are reported

  4. Introduction to nuclear chemistry

    Lieser, K.H.

    1980-01-01

    The study in this book begins with the periodic system of elements (chapter 1). The physical fundamentals necessary to understand nuclear chemistry are dealt with in chapter 2. Chapter 3 and 4 treat the influence of the mass number on the chemical behaviour (isotope effect) and the isotope separation methods thus based on this effect. A main topic is studied in chapter 5, the laws of radioactive decay, a second main topic is dealt with in chapter 8, nuclear reactions. The chemical effects of nuclear reactions are treated on their own chapter 9. Radiochemical reactions which are partly closely linked to the latter are only briefly discussed in chapter 10. The following chapters discuss the various application fields of nuclear chemistry. The large apparatus indispensable for nuclear chemistry is dealt with in a special chapter (chapter 12). Chapter 15 summarizes the manifold applications. (orig.) [de

  5. Fluorine in medicinal chemistry.

    Swallow, Steven

    2015-01-01

    Since its first use in the steroid field in the late 1950s, the use of fluorine in medicinal chemistry has become commonplace, with the small electronegative fluorine atom being a key part of the medicinal chemist's repertoire of substitutions used to modulate all aspects of molecular properties including potency, physical chemistry and pharmacokinetics. This review will highlight the special nature of fluorine, drawing from a survey of marketed fluorinated pharmaceuticals and the medicinal chemistry literature, to illustrate key concepts exploited by medicinal chemists in their attempts to optimize drug molecules. Some of the potential pitfalls in the use of fluorine will also be highlighted. © 2015 Elsevier B.V. All rights reserved.

  6. Reaction chemistry of cerium

    NONE

    1997-01-01

    It is truly ironic that a synthetic organic chemist likely has far greater knowledge of the reaction chemistry of cerium(IV) than an inorganic colleague. Cerium(IV) reagents have long since been employed as oxidants in effecting a wide variety of organic transformations. Conversely, prior to the late 1980s, the number of well characterized cerium(IV) complexes did not extend past a handful of known species. Though in many other areas, interest in the molecular chemistry of the 4f-elements has undergone an explosive growth over the last twenty years, the chemistry of cerium(IV) has for the most part been overlooked. This report describes reactions of cerium complexes and structure.

  7. Ammonia chemistry at SMART

    Na, J. W.; Seong, G. W.; Lee, E. H.; Kim, W. C.; Choi, B. S.; Kim, J. P.; Lee, D. J.

    1999-01-01

    Ammonia is used as the pH control agent of primary water at SMART (System-integrated Modular Advanced ReacTor). Some of this ammonia is decomposed to hydrogen and nitrogen by radiation in the reactor core. The produced hydrogen gas is used for the removal of dissolved oxygen in the coolant. Some of nitrogen gas in pressurizer is dissolved into the primary water. Because ammonia, hydrogen and nitrogen which is produced by ammonia radiolysis are exist in the coolant at SMART, ammonia chemistry at SMART is different with lithium-boron chemistry at commercial PWR. In this study, the pH characteristics of ammonia and the solubility characteristics of hydrogen and nytrogen were analyzed for the management of primary water chemistry at SMART

  8. Mathematics for physical chemistry

    Mortimer, Robert G

    2005-01-01

    Mathematics for Physical Chemistry, Third Edition, is the ideal text for students and physical chemists who want to sharpen their mathematics skills. It can help prepare the reader for an undergraduate course, serve as a supplementary text for use during a course, or serve as a reference for graduate students and practicing chemists. The text concentrates on applications instead of theory, and, although the emphasis is on physical chemistry, it can also be useful in general chemistry courses. The Third Edition includes new exercises in each chapter that provide practice in a technique immediately after discussion or example and encourage self-study. The first ten chapters are constructed around a sequence of mathematical topics, with a gradual progression into more advanced material. The final chapter discusses mathematical topics needed in the analysis of experimental data.* Numerous examples and problems interspersed throughout the presentations * Each extensive chapter contains a preview, objectives, and ...

  9. Introductory quantum chemistry

    Chandra, A.K.

    1974-01-01

    This book on quantum chemistry is primarily intended for university students at the senior undergraduate level. It serves as an aid to the basic understanding of the important concepts of quantum mechanics introduced in the field of chemistry. Various chapters of the book are devoted to the following : (i) Waves and quanta, (ii) Operator concept in quantum chemistry, (iii) Wave mechanics of some simple systems, (iv) Perturbation theory, (v) Many-electron atoms and angular momenta (vi) Molecular orbital theory and its application to the electronic structure of diatomic molecules, (vii) Chemical bonding in polyatomic molecules and (viii) Chemical applications of Hellmann-Feynman theorem. At the end of each chapter, a set of problems is given and the answers to these problems are given at the end of the book. (A.K.)

  10. Research in radiation chemistry

    Silverman, J.

    1974-01-01

    In the survey the author discusses phenomena which are unique to radiation chemistry, as well as those in which radiation chemistry research plays a principal role. Works in this field such as spur phenomena and effects of scavengers in the radiolysis of water and liquid alkane, intraspur effects in styrene and polymerization of styrene at high dose rates are presented. The problem of the missing hydrogen atoms in irradiated alkanes needs answer and sensitization of crosslinking reactions may involve some unique aspects of radiation chemistry. Pairwise trapping of radicals in irradiated n-hydrocarbons have been observed in ESP-spectra. A well defined spectrum of radical pairs when the crystals of n-eicosane is irradiated and observed at 77 deg K. The nature of the spectrum, its changes with temperature and the effect of LET is discussed in the paper. (M.S.)

  11. Chemistry for environmental scientists

    Moeller, Detlev [Brandenburgische Technische Univ., Berlin (Germany). Lehrstuhl fuer Luftchemie und Luftreinhaltung

    2015-07-01

    Non-chemists in environmental sciences and engineering (e.g. physicists, biologists, ecologists, geographers, soil scientists, hydrologists, meteorologists, economists, engineers) need chemical basic knowledge for understanding chemical processes in the environment. This book focuses on general and fundamental chemistry (including required physics) such as properties and bonding of matter, chemical kinetics and mechanisms, phase and chemical equilibrium, the basic features of air (gases), water (liquids) and soil (solids) and the most important substances and their reactions in the environment. Selected key environmental chemical processes are shortly characterised in the light of multi-component and multiphase chemistry. This book is also useful for chemists who are beginning work on environmental issues.

  12. Progress in physical chemistry

    Hempelmann, Rolf

    2008-01-01

    Progress in Physical Chemistry is a collection of recent ""Review Articles"" published in the ""Zeitschrift für Physikalische Chemie"". The second volume of Progress in Physical Chemistry is a collection of thematically closely related minireview articles written by the members of the Collaborative Research Centre (SFB) 277 of the German Research Foundation (DFG). These articles are based on twelve years of intense coordinated research efforts. Central topics are the synthesis and the characterization of interface-dominated, i.e. nanostructured materials, mainly in the solid state but also as

  13. Inorganic chemistry and medicine

    Sadler, P.J.; Guo, Z.

    1999-01-01

    Inorganic chemistry is beginning to have a major impact on medicine. Not only does it offer the prospect of the discovery of truly novel drugs and diagnostic agents, but it promises to make a major contribution to our understanding of the mechanism of action of organic drugs too. Most of this article is concerned with recent developments in medicinal coordination chemistry. The role of metal organic compounds of platinum, titanium, ruthenium, gallium, bismuth, gold, gadolinium, technetium, silver, cobalt in the treatment or diagnosis of common diseases are briefly are examined

  14. Frontiers in nuclear chemistry

    Sood, D.D.; Reddy, A.V.R.; Pujari, P.K.

    1996-01-01

    This book contains articles on the landmarks in nuclear and radiochemistry which takes through scientific history spanning over five decades from the times of Roentgen to the middle of this century. Articles on nuclear fission and back end of the nuclear fuel cycle give an insight into the current status of this subject. Reviews on frontier areas like lanthanides, actinides, muonium chemistry, accelerator based nuclear chemistry, fast radiochemical separations and nuclear medicine bring out the multidisciplinary nature of nuclear sciences. This book also includes an article on environmental radiochemistry and safety. Chapters relevant to INIS are indexed separately

  15. Nuclear chemistry 1

    Macasek, F.

    2009-01-01

    This text-book (electronic book - multi-media CD-ROM) constitutes a course-book - author's collection of lectures. It consists of 9 lectures in which the reader acquaints with the basis of nuclear chemistry and radiochemistry: History of nucleus; Atomic nuclei; Radioactivity; Nuclear reactions and nucleogenesis; Isotopism; Ionizing radiation; Radiation measurement; Nuclear energetics; Isotopic indicators. This course-book may be interesting for students, post-graduate students of chemistry, biology, physics, medicine a s well as for teachers, scientific workers and physicians. (author)

  16. Spins in chemistry

    McWeeny, Roy

    2004-01-01

    Originally delivered as a series of lectures, this volume systematically traces the evolution of the ""spin"" concept from its role in quantum mechanics to its assimilation into the field of chemistry. Author Roy McWeeny presents an in-depth illustration of the deductive methods of quantum theory and their application to spins in chemistry, following the path from the earliest concepts to the sophisticated physical methods employed in the investigation of molecular structure and properties. Starting with the origin and development of the spin concept, the text advances to an examination of sp

  17. Chemistry for environmental scientists

    Moeller, Detlev

    2015-01-01

    Non-chemists in environmental sciences and engineering (e.g. physicists, biologists, ecologists, geographers, soil scientists, hydrologists, meteorologists, economists, engineers) need chemical basic knowledge for understanding chemical processes in the environment. This book focuses on general and fundamental chemistry (including required physics) such as properties and bonding of matter, chemical kinetics and mechanisms, phase and chemical equilibrium, the basic features of air (gases), water (liquids) and soil (solids) and the most important substances and their reactions in the environment. Selected key environmental chemical processes are shortly characterised in the light of multi-component and multiphase chemistry. This book is also useful for chemists who are beginning work on environmental issues.

  18. The chemistry of silicon

    Rochow, E G; Emeléus, H J; Nyholm, Ronald

    1975-01-01

    Pergamon Texts in Organic Chemistry, Volume 9: The Chemistry of Silicon presents information essential in understanding the chemical properties of silicon. The book first covers the fundamental aspects of silicon, such as its nuclear, physical, and chemical properties. The text also details the history of silicon, its occurrence and distribution, and applications. Next, the selection enumerates the compounds and complexes of silicon, along with organosilicon compounds. The text will be of great interest to chemists and chemical engineers. Other researchers working on research study involving s

  19. Solvent effects in chemistry

    Buncel, Erwin

    2015-01-01

    This book introduces the concepts, theory and experimental knowledge concerning solvent effects on the rate and equilibrium of chemical reactions of all kinds.  It begins with basic thermodynamics and kinetics, building on this foundation to demonstrate how a more detailed understanding of these effects may be used to aid in determination of reaction mechanisms, and to aid in planning syntheses. Consideration is given to theoretical calculations (quantum chemistry, molecular dynamics, etc.), to statistical methods (chemometrics), and to modern day concerns such as ""green"" chemistry, where ut

  20. Chemistry WebBook

    SRD 69 NIST Chemistry WebBook (Web, free access)   The NIST Chemistry WebBook contains: Thermochemical data for over 7000 organic and small inorganic compounds; thermochemistry data for over 8000 reactions; IR spectra for over 16,000 compounds; mass spectra for over 33,000 compounds; UV/Vis spectra for over 1600 compounds; electronic and vibrational spectra for over 5000 compounds; constants of diatomic molecules(spectroscopic data) for over 600 compounds; ion energetics data for over 16,000 compounds; thermophysical property data for 74 fluids.

  1. Dynamic Combinatorial Chemistry

    Lisbjerg, Micke

    This thesis is divided into seven chapters, which can all be read individually. The first chapter, however, contains a general introduction to the chemistry used in the remaining six chapters, and it is therefore recommended to read chapter one before reading the other chapters. Chapter 1...... is a general introductory chapter for the whole thesis. The history and concepts of dynamic combinatorial chemistry are described, as are some of the new and intriguing results recently obtained. Finally, the properties of a broad range of hexameric macrocycles are described in detail. Chapter 2 gives...

  2. Nesting Large-Eddy Simulations Within Mesoscale Simulations for Wind Energy Applications

    Lundquist, J. K.; Mirocha, J. D.; Chow, F. K.; Kosovic, B.; Lundquist, K. A.

    2008-12-01

    With increasing demand for more accurate atmospheric simulations for wind turbine micrositing, for operational wind power forecasting, and for more reliable turbine design, simulations of atmospheric flow with resolution of tens of meters or higher are required. These time-dependent large-eddy simulations (LES) account for complex terrain and resolve individual atmospheric eddies on length scales smaller than turbine blades. These small-domain high-resolution simulations are possible with a range of commercial and open- source software, including the Weather Research and Forecasting (WRF) model. In addition to "local" sources of turbulence within an LES domain, changing weather conditions outside the domain can also affect flow, suggesting that a mesoscale model provide boundary conditions to the large-eddy simulations. Nesting a large-eddy simulation within a mesoscale model requires nuanced representations of turbulence. Our group has improved the Weather and Research Forecating model's (WRF) LES capability by implementing the Nonlinear Backscatter and Anisotropy (NBA) subfilter stress model following Kosoviæ (1997) and an explicit filtering and reconstruction technique to compute the Resolvable Subfilter-Scale (RSFS) stresses (following Chow et al, 2005). We have also implemented an immersed boundary method (IBM) in WRF to accommodate complex terrain. These new models improve WRF's LES capabilities over complex terrain and in stable atmospheric conditions. We demonstrate approaches to nesting LES within a mesoscale simulation for farms of wind turbines in hilly regions. Results are sensitive to the nesting method, indicating that care must be taken to provide appropriate boundary conditions, and to allow adequate spin-up of turbulence in the LES domain. This work is performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  3. Characterizing the Meso-scale Plasma Flows in Earth's Coupled Magnetosphere-Ionosphere-Thermosphere System

    Gabrielse, C.; Nishimura, T.; Lyons, L. R.; Gallardo-Lacourt, B.; Deng, Y.; McWilliams, K. A.; Ruohoniemi, J. M.

    2017-12-01

    NASA's Heliophysics Decadal Survey put forth several imperative, Key Science Goals. The second goal communicates the urgent need to "Determine the dynamics and coupling of Earth's magnetosphere, ionosphere, and atmosphere and their response to solar and terrestrial inputs...over a range of spatial and temporal scales." Sun-Earth connections (called Space Weather) have strong societal impacts because extreme events can disturb radio communications and satellite operations. The field's current modeling capabilities of such Space Weather phenomena include large-scale, global responses of the Earth's upper atmosphere to various inputs from the Sun, but the meso-scale ( 50-500 km) structures that are much more dynamic and powerful in the coupled system remain uncharacterized. Their influences are thus far poorly understood. We aim to quantify such structures, particularly auroral flows and streamers, in order to create an empirical model of their size, location, speed, and orientation based on activity level (AL index), season, solar cycle (F10.7), interplanetary magnetic field (IMF) inputs, etc. We present a statistical study of meso-scale flow channels in the nightside auroral oval and polar cap using SuperDARN. These results are used to inform global models such as the Global Ionosphere Thermosphere Model (GITM) in order to evaluate the role of meso-scale disturbances on the fully coupled magnetosphere-ionosphere-thermosphere system. Measuring the ionospheric footpoint of magnetospheric fast flows, our analysis technique from the ground also provides a 2D picture of flows and their characteristics during different activity levels that spacecraft alone cannot.

  4. Influence of mesoscale features on micronekton and large pelagic fish communities in the Mozambique Channel

    Potier, Michel; Bach, Pascal; Ménard, Frédéric; Marsac, Francis

    2014-02-01

    We investigated the diversity and distribution of two communities, micronekton organisms and large predatory fishes, sampled in mesoscale features of the Mozambique Channel from 2003 to 2009, by combining mid-water trawls, stomach contents of fish predators and instrumented longline fishing surveys. The highest species richness for assemblages was found in divergences and fronts rather than in the core of eddies. Despite an unbalanced scheme, diversity indices did not differ significantly between cyclonic and anticyclonic eddies, divergences and fronts. We found that eddies and associated physical cues did not substantially affect the distribution of micronektonic species which are mainly driven by the diel vertical migration pattern. Top predators exhibited a more complex response. Swordfish (Xiphias gladius) associated better with mesoscale features than tunas, with a clear preference for divergences which is consistent with the diel vertical migrations and occurrence of its main prey, the flying squids Sthenoteuthis oualaniensis (Ommastrephidae). On the other hand, the probability of presence of yellowfin tuna was not tied to any specific eddy structure. However, the highest values of positive yellowfin CPUEs were associated with low horizontal gradients of sea-level anomalies. We also showed a non-linear response of positive yellowfin CPUEs with respect to the depth of the minimal oxygen content. The larger the distance between the hooks and the minimal oxygen layer, towards the surface or at greater depths, the higher the CPUE, highlighting that yellowfin congregated in well-oxygenated waters. Micronekton sampled by mid-water trawls and stomach contents exhibited different species composition. The highly mobile organisms were not caught by trawling whereas they remain accessible to predators. The combination of stomach contents and mid-water trawls undoubtedly improved our understanding of the micronekton assemblage distribution. Our results provide some

  5. The influence of mesoscale and submesoscale circulation on sinking particles in the northern Gulf of Mexico

    Guangpeng Liu

    2018-04-01

    Full Text Available Mesoscale eddies and fronts in the ocean greatly impact lateral transport and in turn the trajectories of sinking particles. Such influence was explored for April and October 2012 in the Gulf of Mexico using numerical simulations performed with a regional model at 1-km horizontal resolution. Results are compared qualitatively to field samples from two sediment traps located at GC600 (27°22.5 N, 90°30.7 W and AT357 (27°31.5 N, 89°42.6 W, 81 km apart. In April the traps collected a comparable amount of material, while in October the flux at GC600 greatly exceeded that at AT357. Through inverse calculations, several thousand particle trajectories were reconstructed multiple times from the ocean surface to the depth of the traps (approximately 1,000 m using a range of sinking velocities, 20–100 m d–1. Taken together, model results and trap data indicate that cross-shore transport of riverine input induced by mesoscale eddies, and convergence and divergence processes at the scale of a few kilometers, significantly impact the trajectory of sinking particles. The large majority of modeled particles reach the bottom faster than would be expected by their sinking speeds alone. This finding is associated with submesoscale-induced horizontal convergence in the mixed layer that aggregates particles preferentially in downwelling regions, accelerating their descent. Furthermore, this study confirms that the cone of influence of vertical fluxes is highly variable in both space and time in the presence of an energetic eddy field, especially for particles with sinking velocity of 50 m d–1 or less. It also demonstrates that the variability of vertical fluxes in the Gulf of Mexico is highly complex and can be understood only by considering the mesoscale circulation and seasonal cycle of primary productivity, which in turn are linked to riverine inputs, wind forcing and the seasonal cycle of the mixed-layer depth.

  6. Comparison of Four Mixed Layer Mesoscale Parameterizations and the Equation for an Arbitrary Tracer

    Canuto, V. M.; Dubovikov, M. S.

    2011-01-01

    In this paper we discuss two issues, the inter-comparison of four mixed layer mesoscale parameterizations and the search for the eddy induced velocity for an arbitrary tracer. It must be stressed that our analysis is limited to mixed layer mesoscales since we do not treat sub-mesoscales and small turbulent mixing. As for the first item, since three of the four parameterizations are expressed in terms of a stream function and a residual flux of the RMT formalism (residual mean theory), while the fourth is expressed in terms of vertical and horizontal fluxes, we needed a formalism to connect the two formulations. The standard RMT representation developed for the deep ocean cannot be extended to the mixed layer since its stream function does not vanish at the ocean's surface. We develop a new RMT representation that satisfies the surface boundary condition. As for the general form of the eddy induced velocity for an arbitrary tracer, thus far, it has been assumed that there is only the one that originates from the curl of the stream function. This is because it was assumed that the tracer residual flux is purely diffusive. On the other hand, we show that in the case of an arbitrary tracer, the residual flux has also a skew component that gives rise to an additional bolus velocity. Therefore, instead of only one bolus velocity, there are now two, one coming from the curl of the stream function and other from the skew part of the residual flux. In the buoyancy case, only one bolus velocity contributes to the mean buoyancy equation since the residual flux is indeed only diffusive.

  7. Analytical Chemistry as Methodology in Modern Pure and Applied Chemistry

    Honjo, Takaharu

    2001-01-01

    Analytical chemistry is an indispensable methodology in pure and applied chemistry, which is often compared to a foundation stone of architecture. In the home page of jsac, it is said that analytical chemistry is a learning of basic science, which treats the development of method in order to get usefull chemical information of materials by means of detection, separation, and characterization. Analytical chemistry has recently developed into analytical sciences, which treats not only analysis ...

  8. Contribution of mesoscale processes to nutrient budgets in the Arabian Sea

    Resplandy, L; Levy, M.; Madec, G.; Pous, S.; Aumont, O.; DileepKumar, M.

    Contribution of mesoscale processes to nutrient1 budgets in the Arabian Sea2 L. Resplandy, 1 M. L´evy, 1 G. Madec, 1,2 S. Pous, 1 O. Aumont, 3 D. Kumar 4 L. Resplandy, LOCEAN, UPMC, BC100, 4 place Jussieu, F-75252 Paris cedex 05, France. (lrlod... is constant and set to 122/16 [Takahashi et al., 1985]. To ensure positive values, biogeo-141 chemical tracers are advected with the positive Monotone Upstream-centered Schemes for142 Conservation Laws [Van Leer, 1979; L´evy et al., 2001] and dissipated along...

  9. A new Method for the Estimation of Initial Condition Uncertainty Structures in Mesoscale Models

    Keller, J. D.; Bach, L.; Hense, A.

    2012-12-01

    The estimation of fast growing error modes of a system is a key interest of ensemble data assimilation when assessing uncertainty in initial conditions. Over the last two decades three methods (and variations of these methods) have evolved for global numerical weather prediction models: ensemble Kalman filter, singular vectors and breeding of growing modes (or now ensemble transform). While the former incorporates a priori model error information and observation error estimates to determine ensemble initial conditions, the latter two techniques directly address the error structures associated with Lyapunov vectors. However, in global models these structures are mainly associated with transient global wave patterns. When assessing initial condition uncertainty in mesoscale limited area models, several problems regarding the aforementioned techniques arise: (a) additional sources of uncertainty on the smaller scales contribute to the error and (b) error structures from the global scale may quickly move through the model domain (depending on the size of the domain). To address the latter problem, perturbation structures from global models are often included in the mesoscale predictions as perturbed boundary conditions. However, the initial perturbations (when used) are often generated with a variant of an ensemble Kalman filter which does not necessarily focus on the large scale error patterns. In the framework of the European regional reanalysis project of the Hans-Ertel-Center for Weather Research we use a mesoscale model with an implemented nudging data assimilation scheme which does not support ensemble data assimilation at all. In preparation of an ensemble-based regional reanalysis and for the estimation of three-dimensional atmospheric covariance structures, we implemented a new method for the assessment of fast growing error modes for mesoscale limited area models. The so-called self-breeding is development based on the breeding of growing modes technique

  10. Synthesis of mesoscale, crumpled, reduced graphene oxide roses by water-in-oil emulsion approach

    Sharma, Shruti; Pham, Viet H.; Boscoboinik, Jorge A.; Camino, Fernando; Dickerson, James H.; Tannenbaum, Rina

    2018-05-01

    Mesoscale crumpled graphene oxide roses (GO roses) were synthesized by using colloidal graphene oxide (GO) variants as precursors for a hybrid emulsification-rapid evaporation approach. This process produced rose-like, spherical, reduced mesostructures of colloidal GO sheets, with corrugated surfaces and particle sizes tunable in the range of ∼800 nm to 15 μm. Excellent reproducibility for particle size distribution is shown for each selected speed of homogenizer rotor among different sample batches. The morphology and chemical structure of these produced GO roses was investigated using electron microscopy and spectroscopy techniques. The proposed synthesis route provides control over particle size, morphology and chemical properties of the synthesized GO roses.

  11. Estimation of parasitic losses in a proposed mesoscale resonant engine: Experiment and model

    Preetham, B. S.; Anderson, M.; Richards, C.

    2014-02-01

    A resonant engine in which the piston-cylinder assembly is replaced by a flexible cavity is realized at the mesoscale using flexible metal bellows to demonstrate the feasibility of the concept. A four stroke motoring technique is developed and measurements are performed to determine parasitic losses. A non-linear lumped parameter model is developed to evaluate the engine performance. Experimentally, the heat transfer and friction effects are separated by varying the engine speed and operating frequency. The engine energy flow diagram showing the energy distribution among various parasitic elements reveals that the friction loss in the bellows is smaller than the sliding friction loss in a typical piston-cylinder assembly.

  12. Toward an extended-geostrophic Euler-Poincare model for mesoscale oceanographic flow

    Allen, J.S.; Newberger, P.A. [Oregon State Univ., Corvallis, OR (United States). Coll. of Oceanic and Atmospheric Sciences; Holm, D.D. [Los Alamos National Lab., NM (United States)

    1998-07-01

    The authors consider the motion of a rotating, continuously stratified fluid governed by the hydrostatic primitive equations (PE). An approximate Hamiltonian (L1) model for small Rossby number {var_epsilon} is derived for application to mesoscale oceanographic flow problems. Numerical experiments involving a baroclinically unstable oceanic jet are utilized to assess the accuracy of the L1 model compared to the PE and to other approximate models, such as the quasigeostrophic (QG) and the geostrophic momentum (GM) equations. The results of the numerical experiments for moderate Rossby number flow show that the L1 model gives accurate solutions with errors substantially smaller than QG or GM.

  13. Simulations of a November thunderstorm event by two mesoscale models in the south Alpine region

    Borroni, A.

    2005-01-01

    Abstract: Two numerical models have been used to investigate the development of a thunderstorm event that took place on November 7th , 2004, in the northern Italy. A cold air mass moved from the northeast to the Alps and the Po valley, while the temperature in the lower layers was quite warm. A thunderstorm with rain and hail developed in the central and eastern part of Italy's subalpine region. In this work it's analyzed some aspects of the thunderstorm dynamics at the mesoscale using two di...

  14. Do mesoscale faults in a young fold belt indicate regional or local stress?

    Kokado, Akihiro; Yamaji, Atsushi; Sato, Katsushi

    2017-04-01

    The result of paleostress analyses of mesoscale faults is usually thought of as evidence of a regional stress. On the other hand, the recent advancement of the trishear modeling has enabled us to predict the deformation field around fault-propagation folds without the difficulty of assuming paleo mechanical properties of rocks and sediments. We combined the analysis of observed mesoscale faults and the trishear modeling to understand the significance of regional and local stresses for the formation of mesoscale faults. To this end, we conducted the 2D trishear inverse modeling with a curved thrust fault to predict the subsurface structure and strain field of an anticline, which has a more or less horizontal axis and shows a map-scale plane strain perpendicular to the axis, in the active fold belt of Niigata region, central Japan. The anticline is thought to have been formed by fault-propagation folding under WNW-ESE regional compression. Based on the attitudes of strata and the positions of key tephra beds in Lower Pleistocene soft sediments cropping out at the surface, we obtained (1) a fault-propagation fold with the fault tip at a depth of ca. 4 km as the optimal subsurface structure, and (2) the temporal variation of deformation field during the folding. We assumed that mesoscale faults were activated along the direction of maximum shear strain on the faults to test whether the fault-slip data collected at the surface were consistent with the deformation in some stage(s) of folding. The Wallace-Bott hypothesis was used to estimate the consistence of faults with the regional stress. As a result, the folding and the regional stress explained 27 and 33 of 45 observed faults, respectively, with the 11 faults being consistent with the both. Both the folding and regional one were inconsistent with the remaining 17 faults, which could be explained by transfer faulting and/or the gravitational spreading of the growing anticline. The lesson we learnt from this work was

  15. Mesoscale variability of water masses in the Arabian Sea as revealed by ARGO floats

    Carton, X.; L'Hegaret, P.; Baraille, R.

    2012-01-01

    By analysing ARGO float data over the last four years, a few aspects of the mesoscale variability of water masses in the Arabian Sea are described.

    The Red Sea Outflow Water (RSOW) is concentrated in the Southwestern Gulf of Aden, in particular when a cyclonic gyre predominates in this region. Salinities of 36.5 and temperatures of 16 °C are found in this area at depths between 600 and 1000 m. RSOW is more dilute in the eastern part of the Gulf, where intense and relative...

  16. Mesoscale variability of water masses in the Arabian Sea as revealed by ARGO floats

    X. Carton; P. L'Hegaret

    2011-01-01

    By analysing ARGO float data over the last four years, some aspects of the mesoscale variability of water masses in the Arabian Sea are described.

    The Red Sea Water outflow is strong in the Southwestern Gulf of Aden, in particular when a cyclonic gyre predominates in this region. Salinities of 36.5 and temperatures of 16 °C are found there between 600 and 1000 m depths. The Red Sea Water is more dilute in the eastern part of the Gulf, and fragments of this ...

  17. On the sensitivity of mesoscale models to surface-layer parameterization constants

    Garratt, J. R.; Pielke, R. A.

    1989-09-01

    The Colorado State University standard mesoscale model is used to evaluate the sensitivity of one-dimensional (1D) and two-dimensional (2D) fields to differences in surface-layer parameterization “constants”. Such differences reflect the range in the published values of the von Karman constant, Monin-Obukhov stability functions and the temperature roughness length at the surface. The sensitivity of 1D boundary-layer structure, and 2D sea-breeze intensity, is generally less than that found in published comparisons related to turbulence closure schemes generally.

  18. An evaluation of high-resolution interferometer soundings and their use in mesoscale analyses

    Bradshaw, John T.; Fuelberg, Henry E.

    1993-01-01

    An examination is made of temperature and dewpoint soundings obtained by an airborne prototype of the High-resolution Interferometer Sounder (HIS) on two flight days, to ascertain their error characteristics and their utility in mesoscale analyses. Crude estimates of Bowen ratio were obtained from HIS data using a mixing-line approach; the HIS retrievals indicated that areas of thunderstorm formation were the regions of greatest instability. HIS soundings were also able to detect some of the landscape variability and temperature and humidity fluctuations present.

  19. Development of a Meso-Scale Fiberoptic Rotation Sensor for a Torsion Actuator.

    Sheng, Jun; Desai, Jaydev P

    2018-01-01

    This paper presents the development of a meso-scale fiberoptic rotation sensor for a shape memory alloy (SMA) torsion actuator for neurosurgical applications. Within the sensor, a rotary head with a reflecting surface is capable of modulating the light intensity collected by optical fibers when the rotary head is coupled to the torsion actuator. The mechanism of light intensity modulation is modeled, followed by experimental model verification. Meanwhile, working performances for different rotary head designs, optical fibers, and fabrication materials are compared. After the calibration of the fiberoptic rotation sensor, the sensor is capable of precisely measuring rotary motion and controlling the SMA torsion actuator with feedback control.

  20. Role of mesoscale eddies in the global ocean uptake of anthropogenic CO2

    Zouhair, Lachkar

    2007-02-01

    Mesoscale eddies play a fundamental role in ocean dynamics particularly in the Southern Ocean. Global-scale tracer simulations are typically made at coarse resolution without explicitly modeling eddies. Here we ask what role do eddies play in ocean uptake, storage, and meridional transport of anthropogenic CO 2 , CFC-11 and bomb Δ 14 C. We made global anthropogenic transient tracer simulations in coarse-resolution, ORCA2, and eddy-permitting, ORCA05 and ORCA025, versions of the ocean modelling system NEMO. We focus on the Southern Ocean where tracer air-sea fluxes are largest. Eddies have little effect on bomb Δ 14 C uptake and storage. Yet for CFC-11 and anthropogenic CO 2 , increased eddy activity reduces southern extra-tropical uptake by 28% and 25% respectively, thereby providing better agreement with observations. It is shown that the discrepancies in the equilibration times between the three tracers determine their respective sensitivities to the model horizontal resolution. Applying Gent and McWilliams (1990) (GM) parameterization of eddies in the non-eddying version of the model does improve results, but not enough. An in-depth investigation of the mechanisms by which eddies affect the uptake of the transient tracers shows that including mesoscale eddies leads to an overall reduction in the Antarctic Intermediate Water (AAIW) ventilation, and modifies substantially the spatial distribution of their source regions. This investigation reveals also that the GM parameterization still overestimates the ventilation and the subduction of AAIW in the Indian Ocean where the simulated mixed layer is particularly deep during the winter. This work suggests that most current coarse-resolution models may overestimate the ventilation of AAIW in the Indian sector of the Southern Ocean. This study shows also that the use of the GM parameterization may be of limited utility where mixed layer is relatively deep and confirms the general need for a more adequate

  1. Observed 3D Structure, Generation, and Dissipation of Mesoscale Eddies in the South China Sea

    Zhang, Z.; Tian, J.; Qiu, B.; Zhao, W.

    2016-12-01

    South China Sea (SCS), the largest marginal sea in the western Pacific, is abundant with strong mesoscale eddies as revealed by both satellite and in situ observations. The 3D structure, generation and dissipation mechanisms of the SCS mesoscale eddies, however, are still not well understood at present due to the lack of well-designed and comprehensive field observations. In order to address the above scientific issues, the SCS Mesoscale Eddy Experiment (S-MEE for short) was designed and conducted in the period from October 2013 to June 2014. As part of S-MEE, two bottom-anchored subsurface mooring arrays with one consisting of 10 moorings and the other 7 moorings, were deployed along the historical pathway of the mesoscale eddies in the northern SCS. All the moorings were equipped with ADCPs, RCMs, CTDs and temperature chains to make continues measurements of horizontal current velocity and temperature/salinity in the whole water column. In addition to moored observations, we also conducted two transects across the center of one anticyclonic eddy (AE) and made high-resolution hydrographic and turbulent mixing measurements. Based on the data collected by the S-MEE, we obtained the full-depth 3D structures of one AE and one cyclonic eddy (CE) and revealed their generation and dissipation mechanisms. For the first time we found that the eddies in the northern SCS extend from the surface to the sea bottom and display prominent tilted structures in the vertical. The AE was suggested to be shed from the Kuroshio current, which intruded into the SCS through Luzon Strait in winter. For the CE, its generation was associated with the barotropic instability of the Kuroshio current. By conducting an eddy energy budget analysis, we further identified that generation of submesoscale motions constitutes the dominant mechanism for the eddy dissipation. The findings in this study, not only provides new insights into the 3D structure of oceanic eddies, but also contributes to

  2. Lagrangian statistics of mesoscale turbulence in a natural environment: The Agulhas return current.

    Carbone, Francesco; Gencarelli, Christian N; Hedgecock, Ian M

    2016-12-01

    The properties of mesoscale geophysical turbulence in an oceanic environment have been investigated through the Lagrangian statistics of sea surface temperature measured by a drifting buoy within the Agulhas return current, where strong temperature mixing produces locally sharp temperature gradients. By disentangling the large-scale forcing which affects the small-scale statistics, we found that the statistical properties of intermittency are identical to those obtained from the multifractal prediction in the Lagrangian frame for the velocity trajectory. The results suggest a possible universality of turbulence scaling.

  3. Chemistry is Evergreen

    Srimath

    2008 Nobel Prize in Chemistry. Swagata Dasgupta. Swagata Dasgupta is an ... would get excited. The GFP would then emit green light. (509 nm) and return to the ground state. com ponents required. T hese include a photoprotein,ae- quorin (F igure 2) w hich em its .... a chemical reaction which originates in an organism.

  4. Molten salt reactors: chemistry

    1983-01-01

    This work is a critical analysis of the 1000 MW MSBR project. Behavior of rare gases in the primary coolant circuit, their extraction from helium. Coating of graphite by molybdenum, chemistry of protactinium and niobium produced in the molten salt, continuous reprocessing of the fuel salt and use of stainless steel instead of hastelloy are reviewed [fr

  5. Antiparallel Dynamic Covalent Chemistries

    Matysiak, Bartosz M.; Nowak, Piotr; Cvrtila, Ivica; Pappas, Charalampos G.; Liu, Bin; Komaromy, David; Otto, Sijbren

    2017-01-01

    The ability to design reaction networks with high, but addressable complexity is a necessary prerequisite to make advanced functional chemical systems. Dynamic combinatorial chemistry has, proven to be a useful tool in achieving complexity, however with some limitations in controlling it. Herein we

  6. Colour chemistry in water

    Cardona, Maria

    2015-01-01

    Atmospheric carbon dioxide (CO2) levels have increased dramatically in the last few decades. Famous for causing global warming, CO2 is also resulting in the acidification of seas and oceans. http://www.um.edu.mt/think/colour-chemistry-in-water/

  7. Chemistry and Heritage

    Vittoria Barbarulo, Maria

    2014-05-01

    Chemistry is the central science, as it touches every aspect of the society we live in and it is intertwined with many aspects of our culture; in particular, the strong link between Chemistry and Archaeology and Art History is being explored, offering a penetrating insight into an area of growing interest from an educational point of view. A series of vital and vibrant examples (i.e., ancient bronzes composition, colour changes due to natural pigment decomposition, marble degradation) has been proposed, on one hand, to improve student understanding of the relationship between cultural and scientific issues arising from the examination, the conservation, and the maintenance of cultural Heritage, on the other, to illustrate the role of the underlying Chemistry. In some case studies, a survey of the most relevant atmospheric factors, which are involved in the deterioration mechanisms, has also been presented to the students. First-hand laboratory experiences have been providing an invaluable means of discovering the full and varied world of Chemistry. Furthermore, the promotion of an interdisciplinary investigation of a famous painting or fresco, involving the study of its nature and significance, the definition of its historical context, any related literature, the chemical knowledge of the materials used, may be an excellent occasion to experiment the Content and Language Integrated Learning (CLIL). The aim of this approach is to convey the important message that everyone has the responsibility to care for and preserve Heritage for the benefit of present and future generations.

  8. News: Green Chemistry & Technology

    A series of 21 articles focused on different features of green chemistry in a recent issue of Chemical Reviews. Topics extended over a wide range to include the design of sustainable synthetic processes to biocatalysis. A selection of perspectives follows as part of this colu

  9. Electrostatics in Chemistry

    Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 2. Electrostatics in Chemistry - Basic Principles. Shridhar R Gadre Pravin K Bhadane. Series Article Volume 4 Issue 2 February 1999 pp 8-19. Fulltext. Click here to view fulltext PDF. Permanent link:

  10. Chemistry and Popperism.

    Akeroyd, F. Michael

    1984-01-01

    Discusses the relationship of Karl Popper's theories to chemistry, examining scientific statements and verisimilitude (which indicates that newer theories should have a higher degree of truth content compared with older theories). Also provides examples illustrating the use of Agassi's criteria for assessing currently fashionable theories. (JN)

  11. The Lens of Chemistry

    Thalos, Mariam

    2013-01-01

    Chemistry possesses a distinctive theoretical lens--a distinctive set of theoretical concerns regarding the dynamics and transformations of a perplexing variety of organic and nonorganic substances--to which it must be faithful. Even if it is true that chemical facts bear a special (reductive) relationship to physical facts, nonetheless it will…

  12. Chemistry Cook-Off

    McCormick, Cynthia

    2012-01-01

    For this activity, high school chemistry students compete in a cooking contest. They must determine the chemical and physical changes that occur in the food they prepare, present their recipe as a step-by-step procedure similar to a lab procedure, identify chemicals in the food, and present all measurements in both metric and English units. The…

  13. Evaluating Environmental Chemistry Textbooks.

    Hites, Ronald A.

    2001-01-01

    A director of the Indiana University Center for Environmental Science Research reviews textbooks on environmental chemistry. Highlights clear writing, intellectual depth, presence of problem sets covering both the qualitative and quantitative aspects of the material, and full coverage of the topics of concern. Discusses the director's own approach…

  14. Nuclear Chemistry, exercises

    Savio, E.; Saucedo, E.

    2002-01-01

    Those exercises have as objective to introduce the student in the basic concepts of nuclear chemistry: a) way of decline b) balances of mass used in nuclear reactions c) how to calculate activities, activity concentrations and specific activity d) radiotracers use in biomedical sciences pharmaceutical

  15. The chemistry of glycerin

    Kimsanov, B.Kh.; Karimov, M.B.; Khuseynov, K.

    1998-01-01

    This book dedicated to chemistry of polyatomic alcohols, in particular, to glycerin and its numerous derivatives. These compounds are very widespread in the natural objects and carry out several functions in alive organism. Big part of these matters are arrange in industry production of base organic synthesis

  16. The Chemistry of Griseofulvin

    Petersen, Asger Bjørn; Rønnest, Mads Holger; Larsen, Thomas Ostenfeld

    2014-01-01

    Specific synthetic routes are presented in schemes to illustrate the chemistry, and the analogs are presented in a table format to give an accessible overview of the structures. Several patents have been published regarding the properties of griseofulvin and its derivatives including synthesis...

  17. Plasma processing and chemistry

    Schram, D.C.; Mullen, van der J.J.A.M.; Sanden, van de M.C.M.

    1994-01-01

    The growing field of applications of plasma as deposition, etching, surface modification and chemical conversion has stimulated a renewed interest in plasma science in the atomic physical chemistry regime. The necessity to optimize the various plasma processing techniques in terms of rates, and

  18. Electrostatics in Chemistry

    Electrostatics in Chemistry. 3. Molecular Electrostatic Potential: Visualization and Topography. Shridhar R Gadre and Pravin K Bhadane. 1 1. Basic Principles, Resona- nce, Vol.4, No.2, 11-19, 1999. 2. Electrostatic Potentials of. Atoms, Ions and Molecules,. Resonance, Vol.4, No.5, 40-51,. 1999. Topographical features of the ...

  19. Supramolecular systems chemistry

    Mattia, Elio; Otto, Sijbren

    The field of supramolecular chemistry focuses on the non-covalent interactions between molecules that give rise to molecular recognition and self-assembly processes. Since most non-covalent interactions are relatively weak and form and break without significant activation barriers, many

  20. Analytical Chemistry Laboratory

    Anderson, Mark

    2013-01-01

    The Analytical Chemistry and Material Development Group maintains a capability in chemical analysis, materials R&D failure analysis and contamination control. The uniquely qualified staff and facility support the needs of flight projects, science instrument development and various technical tasks, as well as Cal Tech.

  1. Dynamic combinatorial chemistry

    Otto, Sijbren; Furlan, Ricardo L.E.; Sanders, Jeremy K.M.

    2002-01-01

    A combinatorial library that responds to its target by increasing the concentration of strong binders at the expense of weak binders sounds ideal. Dynamic combinatorial chemistry has the potential to achieve exactly this. In this review, we will highlight the unique features that distinguish dynamic

  2. Is Chemistry Attractive for Pupils? Czech Pupils' Perception of Chemistry

    Kubiatko, Milan

    2015-01-01

    Chemistry is an important subject due to understanding the composition and structure of the things around us. The main aim of the study was to find out the perception of chemistry by lower secondary school pupils. The partial aims were to find out the influence of gender, year of study and favorite subject on the perception of chemistry. The…

  3. Mesoscale Origin of the Enhanced Cycling-Stability of the Si-Conductive Polymer Anode for Li-ion Batteries

    Gu, Meng; Xiao, Xing-Cheng; Liu, Gao; Thevuthasan, Suntharampillai; Baer, Donald R.; Zhang, Ji-Guang; Liu, Jun; Browning, Nigel D.; Wang, Chong-Min

    2014-01-01

    Electrode used in lithium-ion battery is invariably a composite of multifunctional components. The performance of the electrode is controlled by the interactive function of all components at mesoscale. Fundamental understanding of mesoscale phenomenon sets the basis for innovative designing of new materials. Here we report the achievement and origin of a significant performance enhancement of electrode for lithium ion batteries based on Si nanoparticles wrapped with conductive polymer. This new material is in marked contrast with conventional material, which exhibit fast capacity fade. In-situ TEM unveils that the enhanced cycling stability of the conductive polymer-Si composite is associated with mesoscale concordant function of Si nanoparticles and the conductive polymer. Reversible accommodation of the volume changes of Si by the conductive polymer allows good electrical contact between all the particles during the cycling process. In contrast, the failure of the conventional Si-electrode is probed to be the inadequate electrical contact. PMID:24418812

  4. Mesoscale spiral vortex embedded within a Lake Michigan snow squall band - High resolution satellite observations and numerical model simulations

    Lyons, Walter A.; Keen, Cecil S.; Hjelmfelt, Mark; Pease, Steven R.

    1988-01-01

    It is known that Great Lakes snow squall convection occurs in a variety of different modes depending on various factors such as air-water temperature contrast, boundary-layer wind shear, and geostrophic wind direction. An exceptional and often neglected source of data for mesoscale cloud studies is the ultrahigh resolution multispectral data produced by Landsat satellites. On October 19, 1972, a clearly defined spiral vortex was noted in a Landsat-1 image near the southern end of Lake Michigan during an exceptionally early cold air outbreak over a still very warm lake. In a numerical simulation using a three-dimensional Eulerian hydrostatic primitive equation mesoscale model with an initially uniform wind field, a definite analog to the observed vortex was generated. This suggests that intense surface heating can be a principal cause in the development of a low-level mesoscale vortex.

  5. Radiation chemistry in nuclear technology

    Katsumura, Yosuke

    2006-01-01

    The importance of radiation chemistry in the field of nuclear technology including reactor chemistry, spent fuel reprocessing and radioactive high level waste repository, is summarized and, in parallel, our research activity will be briefly presented. (author)

  6. From Matter to Life: Chemistry?!

    chemistry came along at milder temperatures; particles formed atoms; these ... Chemistry is the science of matter and of its transformations, and life is its highest ..... information. The progression from elementary particles to the nucleus, the.

  7. A hypothesis and a case-study projection of an influence of MJO modulation on boreal-summer tropical cyclogenesis in a warmer climate with a global non-hydrostatic model: a transition toward the central Pacific?

    KAZUYOSHI eOOUCHI

    2014-02-01

    Full Text Available The eastward shift of the enhanced activity of tropical cyclone to the central Pacific is a robust projection result for a future warmer climate, and is shared by most of the state-of-the-art climate models. The shift has been argued to originate from the underlying El-Ñino like sea-surface temperature (SST forcing. This study explores the possibility that the change of the activity of the Madden-Julian Oscillation (MJO can be an additional, if not alternative, contributor to the shift, using the dataset of Yamada et al. (2010 from a global non-hydrostatic 14-km grid mesh time-slice experiment for a boreal-summer case. Within the case-study framework, we develop the hypothesis that an eastward shift of the high-activity area of the MJO, as manifested itself as the significant intra-seasonal modulation of the enhanced precipitation, is associated with the increased tropical cyclogenesis potential over the North central Pacific by regulating cyclonic relative vorticity and vertical shear. In contrast, the North Indian Ocean and maritime continent undergo relatively diminished genesis potential. An implication is that uncertainty in the future tropical cyclogenesis in some part of the Pacific and other ocean basins could be reduced if projection of the MJO and its connection with the underlying SST environment can be better understood and constrained by the improvement of climate models.

  8. Conference 'Chemistry of hydrides' Proceedings

    1991-07-01

    This collection of thesis of conference of Chemistry hydrides presents the results of investigations concerning of base questions of chemistry of nonorganic hydrides, including synthesis questions, studying of physical and chemical properties, thermodynamics, analytical chemistry, investigation of structure, equilibriums in the systems of metal-hydrogen, behaviour of nonorganic hydrides in non-water mediums and applying investigations in the chemistry area and technology of nonorganic hydrides

  9. Mathematical problems for chemistry students

    Pota, Gyorgy

    2011-01-01

    Mathematical Problems for Chemistry Students has been compiled and written (a) to help chemistrystudents in their mathematical studies by providing them with mathematical problems really occurring in chemistry (b) to help practising chemists to activate their applied mathematical skills and (c) to introduce students and specialistsof the chemistry-related fields (physicists, mathematicians, biologists, etc.) intothe world of the chemical applications.Some problems of the collection are mathematical reformulations of those in the standard textbooks of chemistry, others we

  10. Aqueous Solution Chemistry of Plutonium

    Clark, David L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-01-28

    Things I have learned working with plutonium: Chemistry of plutonium is complex; Redox equilibria make Pu solution chemistry particularly challenging in the absence of complexing ligands; Understanding this behavior is key to successful Pu chemistry experiments; There is no suitable chemical analog for plutonium.

  11. Annual report 1985 Chemistry Department

    1987-01-01

    This annual report describes the activities carried out in 1985 by the Chemistry Department in the following fields: Chemistry, Inorganic Chemistry, Physicochemistry (Interphases, Surfaces), General Chemical Analysis, Active Materials Analysis, X Ray Fluorescence Analysis, Mass Spectroscopy (Isotopic Analysis, Instrumentation) and Optical Spectroscopy. A list of publications is enclosed. (M.E.L.) [es

  12. HMI scientific report - chemistry 1987

    1989-01-01

    Results of the R and D activities of the Radiation Chemistry Department, Hahn-Meitner-Institut, are reported, primarily dealing with the following subjects: Interface processes and energy conversion, high-energy photochemistry and radiation chemistry as well as trace elements chemistry. A list of publications and lectures is added and gives a view on results obtained in research and development. (EF) [de

  13. Division of Analytical Chemistry, 1998

    Hansen, Elo Harald

    1999-01-01

    The article recounts the 1998 activities of the Division of Analytical Chemistry (DAC- formerly the Working Party on Analytical Chemistry, WPAC), which body is a division of the Federation of European Chemical Societies (FECS). Elo Harald Hansen is the Danish delegate, representing The Danish...... Chemical Society/The Society for Analytical Chemistry....

  14. Microphysical/mesoscale aspects of nuclear winter and new directions in assessments

    Knox, J.B.

    1985-06-01

    Recent results of model studies and sensitivity tests have shown the degree to which the intensity and duration of ''nuclear winter'' depends on the mass of soot and dust suspended, its optical properties, its vertical distribution in the atmosphere, and the residence time. The soot from urban fires is viewed as evolving during its dispersion from the early fire induced plumes, to cloud scale systems, to the mesoscale and larger systems. Micro-physical processes are perceived as operating within these systems in a manner to enhance removal from the troposphere, and to alter the verical distribution of the soot or its subsequent, aging or evolving aerosol. Relevant observations and studies of these processes are presented and discussed. Critical inputs to the climate simulation models may well be altered significantly by these process effects, many of which are in need of better definition. Appropriate research needs to be initiated to address and better define these microphysical/mesoscale processes of potential importance in the altered atmospheric system after a major nuclear exchange. 11 refs., 2 figs

  15. Mesoscale Elucidation of Surface Passivation in the Li-Sulfur Battery Cathode.

    Liu, Zhixiao; Mukherjee, Partha P

    2017-02-15

    The cathode surface passivation caused by Li 2 S precipitation adversely affects the performance of lithium-sulfur (Li-S) batteries. Li 2 S precipitation is a complicated mesoscale process involving adsorption, desorption and diffusion kinetics, which are affected profoundly by the reactant concentration and operating temperature. In this work, a mesoscale interfacial model is presented to study the growth of Li 2 S film on carbon cathode surface. Li 2 S film growth experiences nucleation, isolated Li 2 S island growth and island coalescence. The slow adsorption rate at small S 2- concentration inhibits the formation of nucleation seeds and the lateral growth of Li 2 S islands, which deters surface passivation. An appropriate operating temperature, especially in the medium-to-high temperature range, can also defer surface passivation. Fewer Li 2 S nucleation seeds form in such an operating temperature range, thereby facilitating heterogeneous growth and potentially inhibiting the lateral growth of the Li 2 S film, which may ultimately result in reduced surface passivation. The high specific surface area of the cathode microstructure is expected to mitigate the surface passivation.

  16. Description of the University of Auckland Global Mars Mesoscale Meteorological Model (GM4)

    Wing, D. R.; Austin, G. L.

    2005-08-01

    The University of Auckland Global Mars Mesoscale Meteorological Model (GM4) is a numerical weather prediction model of the Martian atmosphere that has been developed through the conversion of the Penn State University / National Center for Atmospheric Research fifth generation mesoscale model (MM5). The global aspect of this model is self consistent, overlapping, and forms a continuous domain around the entire planet, removing the need to provide boundary conditions other than at initialisation, yielding independence from the constraint of a Mars general circulation model. The brief overview of the model will be given, outlining the key physical processes and setup of the model. Comparison between data collected from Mars Pathfinder during its 1997 mission and simulated conditions using GM4 have been performed. Diurnal temperature variation as predicted by the model shows very good correspondence with the surface truth data, to within 5 K for the majority of the diurnal cycle. Mars Viking Data is also compared with the model, with good agreement. As a further means of validation for the model, various seasonal comparisons of surface and vertical atmospheric structure are conducted with the European Space Agency AOPP/LMD Mars Climate Database. Selected simulations over regions of interest will also be presented.

  17. Verification of some numerical models for operationally predicting mesoscale winds aloft

    Cornett, J.S.; Randerson, D.

    1977-01-01

    Four numerical models are described for predicting mesoscale winds aloft for a 6 h period. These models are all tested statistically against persistence as the control forecast and against predictions made by operational forecasters. Mesoscale winds aloft data were used to initialize the models and to verify the predictions on an hourly basis. The model yielding the smallest root-mean-square vector errors (RMSVE's) was the one based on the most physics which included advection, ageostrophic acceleration, vertical mixing and friction. Horizontal advection was found to be the most important term in reducing the RMSVE's followed by ageostrophic acceleration, vertical advection, surface friction and vertical mixing. From a comparison of the mean absolute errors based on up to 72 independent wind-profile predictions made by operational forecasters, by the most complete model, and by persistence, we conclude that the model is the best wind predictor in the free air. In the boundary layer, the results tend to favor the forecaster for direction predictions. The speed predictions showed no overall superiority in any of these three models

  18. Dynamic Mesoscale Land-Atmosphere Feedbacks in Fragmented Forests in Amazonia

    Rastogi, D.; Baidya Roy, S.

    2011-12-01

    This paper investigates land-atmosphere feedbacks in disturbed rainforests of Amazonia. Deforestation along the rapidly expanding highways and road network has created the unique fishbone land cover pattern in Rondonia, a state in southwestern Amazonia. Numerical experiments and observations show that sharp gradients in land cover due to the fishbone heterogeneity triggers mesoscale circulations. These circulations significantly change the spatial pattern of local hydrometeorology, especially convection, clouds and precipitation. The primary research question now is can these changes in local hydrometeorology affect vegetation growth in the clearings. If so, that would be a clear indication that land-atmosphere feedbacks can affect vegetation recovery in fragmented forests. A computationally-efficient modeling tool consisting of a mesoscale atmospheric model dynamically coupled with a plant growth model has been specifically developed to identify the atmospheric feedback pathways. Preliminary experiments focus on the seasonal-scale feedbacks during the dry season. Results show that temperature, incoming shortwave and precipitation are the three primary drivers through which the feedbacks operate. Increasing temperature increases respiratory losses generating a positive feedback. Increased cloud cover reduces incoming PAR and photosynthesis, resulting in a positive feedback. Increased precipitation reduces water stress and promotes growth resulting in a negative feedback. The net effect is a combination of these 3 feedback loops. These findings can significantly improve our understanding of ecosystem resiliency in disturbed tropical forests.

  19. Sensitivity Characterization of Pressed Energetic Materials using Flyer Plate Mesoscale Simulations

    Rai, Nirmal; Udaykumar, H. S.

    Heterogeneous energetic materials like pressed explosives have complicated microstructure and contain various forms of heterogeneities such as pores, micro-cracks, energetic crystals etc. It is widely accepted that the presence of these heterogeneities can affect the sensitivity of these materials under shock load. The interaction of shock load with the microstructural heterogeneities may leads to the formation of local heated regions known as ``hot spots''. Chemical reaction may trigger at the hot spot regions depending on the hot spot temperature and the duration over which the temperature can be maintained before phenomenon like heat conduction, rarefaction waves withdraws energy from it. There are different mechanisms which can lead to the formation of hot spots including void collapse. The current work is focused towards the sensitivity characterization of two HMX based pressed energetic materials using flyer plate mesoscale simulations. The aim of the current work is to develop mesoscale numerical framework which can perform simulations by replicating the laboratory based flyer plate experiments. The current numerical framework uses an image processing approach to represent the microstructural heterogeneities incorporated in a massively parallel Eulerian code SCIMITAR3D. The chemical decomposition of HMX is modeled using Henson-Smilowitz reaction mechanism. The sensitivity characterization is aimed towards obtaining James initiation threshold curve and comparing it with the experimental results.

  20. Examining the effects of microstructure and loading on the shock initiation of HMX with mesoscale simulations

    Springer, H. Keo; Tarver, Craig; Bastea, Sorin

    2015-06-01

    We perform reactive mesoscale simulations to study shock initiation in HMX over a range of pore morphologies and sizes, porosities, and loading conditions in order to improve our understanding of structure-performance relationships. These relationships are important because they guide the development of advanced macroscale models incorporating hot spot mechanisms and the optimization of novel energetic material microstructures. Mesoscale simulations are performed using the multiphysics hydrocode, ALE3D. Spherical, elliptical, polygonal, and crack-like pore geometries 0.1, 1, 10, and 100 microns in size and 2, 5, 10, and 14% porosity are explored. Loading conditions are realized with shock pressures of 6, 10, 20, 38, and 50 GPa. A Cheetah-based tabular model, including temperature-dependent heat capacity, is used for the unreacted and the product equation-of-state. Also, in-line Cheetah is used to probe chemical species evolution. The influence of microstructure and shock loading on shock-to-detonation-transition run distance, reaction rate and product gas species evolution are discussed. This work performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344. This work is funded by the Joint DoD-DOE Munitions Program.

  1. Carrier mobility in mesoscale heterogeneous organic materials: Effects of crystallinity and anisotropy on efficient charge transport

    Kobayashi, Hajime; Shirasawa, Raku; Nakamoto, Mitsunori; Hattori, Shinnosuke; Tomiya, Shigetaka

    2017-07-01

    Charge transport in the mesoscale bulk heterojunctions (BHJs) of organic photovoltaic devices (OPVs) is studied using multiscale simulations in combination with molecular dynamics, the density functional theory, the molecular-level kinetic Monte Carlo (kMC) method, and the coarse-grained kMC method, which was developed to estimate mesoscale carrier mobility. The effects of the degree of crystallinity and the anisotropy of the conductivity of donors on hole mobility are studied for BHJ structures that consist of crystalline and amorphous pentacene grains that act as donors and amorphous C60 grains that act as acceptors. We find that the hole mobility varies dramatically with the degree of crystallinity of pentacene because it is largely restricted by a low-mobility amorphous region that occurs in the hole transport network. It was also found that the percolation threshold of crystalline pentacene is relatively high at approximately 0.6. This high percolation threshold is attributed to the 2D-like conductivity of crystalline pentacene, and the threshold is greatly improved to a value of approximately 0.3 using 3D-like conductive donors. We propose essential guidelines to show that it is critical to increase the degree of crystallinity and develop 3D conductive donors for efficient hole transport through percolative networks in the BHJs of OPVs.

  2. An intercomparison of several diagnostic meteorological processors used in mesoscale air quality modeling

    Vimont, J.C. [National Park Service, Lakewood, CO (United States); Scire, J.S. [Sigma Research Corp., Concord, MA (United States)

    1994-12-31

    A major component, and area of uncertainty, in mesoscale air quality modeling, is the specification of the meteorological fields which affect the transport and dispersion of pollutants. Various options are available for estimating the wind and mixing depth fields over a mesoscale domain. Estimates of the wind field can be obtained from spatial and temporal interpolation of available observations or from diagnostic meteorological models, which estimate a meteorological field from available data and adjust those fields based on parameterizations of physical processes. A major weakness of these processors is their dependence on spatially and temporally sparse input data, particularly upper air data. These problems are exacerbated in regions of complex terrain and along the shorelines of large bodies of water. Similarly, the estimation of mixing depth is also reliant upon sparse observations and the parameterization of the convective and mechanical processes. The meteorological processors examined in this analysis were developed to drive different Lagrangian puff models. This paper describes the algorithms these processors use to estimate the wind fields and mixing depth fields.

  3. Resolving meso-scale seabed variability using reflection measurements from an autonomous underwater vehicle.

    Holland, Charles W; Nielsen, Peter L; Dettmer, Jan; Dosso, Stan

    2012-02-01

    Seabed geoacoustic variability is driven by geological processes that occur over a wide spectrum of space-time scales. While the acoustics community has some understanding of horizontal fine-scale geoacoustic variability, less than O(10(0)) m, and large-scale variability, greater than O(10(3)) m, there is a paucity of data resolving the geoacoustic meso-scale O(10(0)-10(3)) m. Measurements of the meso-scale along an ostensibly "benign" portion of the outer shelf reveal three classes of variability. The first class was expected and is due to horizontal variability of layer thicknesses: this was the only class that could be directly tied to seismic reflection data. The second class is due to rapid changes in layer properties and/or boundaries, occurring over scales of meters to hundreds of meters. The third class was observed as rapid variations of the angle/frequency dependent reflection coefficient within a single observation and is suggestive of variability at scales of meter or less. Though generally assumed to be negligible in acoustic modeling, the second and third classes are indicative of strong horizontal geoacoustic variability within a given layer. The observations give early insight into possible effects of horizontal geoacoustic variability on long-range acoustic propagation and reverberation. © 2012 Acoustical Society of America

  4. Meso-scale wrinkled coatings to improve heat transfers of surfaces facing ambient air

    Kakiuchida, Hiroshi; Tajiri, Koji; Tazawa, Masato; Yoshimura, Kazuki; Shimono, Kazuaki; Nakagawa, Yukio; Takahashi, Kazuhiro; Fujita, Keisuke; Myoko, Masumi

    2015-01-01

    Meso-scale (micrometer-to submillimeter-scale) wrinkled surfaces coated on steel sheets used in outdoor storage and transport facilities for industrial low-temperature liquids were discovered to efficiently increase convective heat transfer between ambient air and the surface. The radiative and convective heat transfer coefficients of various wrinkled surfaces, which were formed by coating steel sheets with several types of shrinkable paints, were examined. The convective heat transfer coefficient of a surface colder than ambient air monotonically changed with average height difference and interval distance of the wrinkle undulation, where the proportions were 0.0254 and 0.0054 W/m 2 /K/μm, respectively. With this wrinkled coating, users can lower the possibility of condensation and reduce rust and maintenance cost of facilities for industrial low-temperature liquids. From the point of view of manufacturers, this coating method can be easily adapted to conventional manufacturing processes. - Highlights: • Various wrinkled surfaces were fabricated by a practical process. • Topographical effect on convection was parameterized separately from radiation. • Meso-scale wrinkled coatings increased convective heat transfer with ambient air. • Maintenance cost of outdoor steel sheets due to condensation can be reduced

  5. Resolving anatomical and functional structure in human brain organization: identifying mesoscale organization in weighted network representations.

    Lohse, Christian; Bassett, Danielle S; Lim, Kelvin O; Carlson, Jean M

    2014-10-01

    Human brain anatomy and function display a combination of modular and hierarchical organization, suggesting the importance of both cohesive structures and variable resolutions in the facilitation of healthy cognitive processes. However, tools to simultaneously probe these features of brain architecture require further development. We propose and apply a set of methods to extract cohesive structures in network representations of brain connectivity using multi-resolution techniques. We employ a combination of soft thresholding, windowed thresholding, and resolution in community detection, that enable us to identify and isolate structures associated with different weights. One such mesoscale structure is bipartivity, which quantifies the extent to which the brain is divided into two partitions with high connectivity between partitions and low connectivity within partitions. A second, complementary mesoscale structure is modularity, which quantifies the extent to which the brain is divided into multiple communities with strong connectivity within each community and weak connectivity between communities. Our methods lead to multi-resolution curves of these network diagnostics over a range of spatial, geometric, and structural scales. For statistical comparison, we contrast our results with those obtained for several benchmark null models. Our work demonstrates that multi-resolution diagnostic curves capture complex organizational profiles in weighted graphs. We apply these methods to the identification of resolution-specific characteristics of healthy weighted graph architecture and altered connectivity profiles in psychiatric disease.

  6. The Use of Mesoscale Eddies and Gulf Stream Meanders by White Sharks Carcharodon carcharias

    Gaube, P.; Thorrold, S.; Braun, C.; McGillicuddy, D. J., Jr.; Lawson, G. L.; Skomal, G. B.

    2016-02-01

    Large pelagic fishes like sharks, tuna, swordfish, and billfish spend a portion of their lives in the open ocean, yet their spatial distribution in this vast habitat remains relatively unknown. Mesoscale ocean eddies, rotating vortices with radius scales of approximately 100 km, structure open ocean ecosystems from primary producers to apex predators by influencing nutrient distributions and transporting large trapped parcels of water over long distances. Recent advances in both the tagging and tracking of marine animals combined with improved detection and tracking of mesoscale eddies has shed some light on the oceanographic features influencing their migrations. Here we show that white sharks use the interiors of anticyclonic and cyclonic eddies differently, a previously undocumented behavior. While swimming in warm, subtropical water, white sharks preferentially inhabit anticyclonic eddies compared to cyclonic eddies. In the vicinity of the Gulf Stream, the depth and duration of dives recorded by an archival temperature- and depth-recording tag affixed to a large female are shown to be significantly deeper and longer in anticyclonic eddies compared to those in cyclonic eddies. This asymmetry is linked to positive subsurface temperature anomalies generated by anticyclonic eddies that are more than 7 degrees C warmer than cyclonic eddies, thus reducing the need for these animals to expend as much energy regulating their internal temperature. In addition, anticyclonic eddies may be regions of enhance foraging success, as suggested by a series of acoustics surveys in the North Atlantic which indicated elevated mesopelagic fish biomass in anticyclones compared to cyclones.

  7. Seasonal to Mesoscale Variability of Water Masses in Barrow Canyon,Chukchi Sea

    Nobre, C.; Pickart, R. S.; Moore, K.; Ashjian, C. J.; Arrigo, K. R.; Grebmeier, J. M.; Vagle, S.; Itoh, M.; Berchok, C.; Stabeno, P. J.; Kikuchi, T.; Cooper, L. W.; Hartwell, I.; He, J.

    2016-02-01

    Barrow Canyon is one of the primary conduits by which Pacific-origin water exits the Chukchi Sea into the Canada Basin. As such, it is an ideal location to monitor the different water masses through the year. At the same time, the canyon is an energetic environment where mixing and entrainment can occur, modifying the pacific-origin waters. As part of the Distributed Biological Observatory (DBO) program, a transect across the canyon was occupied 24 times between 2010-2013 by international ships of opportunity passing through the region during summer and early-fall. Here we present results from an analysis of these sections to determine the seasonal evolution of the water masses and to investigate the nature of the mesoscale variability. The mean state shows the clear presence of six water masses present at various times through the summer. The seasonal evolution of these summer water masses is characterized both in depth space and in temperature-salinity (T-S) space. Clear patterns emerge, including the arrival of Alaskan coastal water and its modification in early-fall. The primary mesoscale variability is associated with wind-driven upwelling events which occur predominantly in September. The atmospheric forcing of these events is investigated as is the oceanic response.

  8. Dynamics of bluff-body-stabilized lean premixed syngas flames in a meso-scale channel

    Lee, Bok Jik

    2016-07-15

    Direct numerical simulations are conducted to investigate the dynamics of lean premixed syngas flames stabilized by a bluff-body in a meso-scale channel at near blow-off conditions, in order to provide fundamental insights into the physical mechanisms responsible for the critical phenomena. Flames in a two-dimensional meso-scale channel with a square flame holder are adopted as the model configuration, and a syngas mixture at an equivalence ratio of 0.5 with the CO:H ratio of 1 is considered. As the inlet velocity is increased, the initially stable steady flames undergo a transition to an unsteady mode of regular asymmetric fluctuation. When the inlet velocity is further increased, the flame is eventually blown off. Between the regular fluctuation mode and blow-off limit, there exists a narrow range of the inlet velocity where the flames exhibit periodic local extinction and recovery. Approaching further to the blow-off limit, the recovery mode fails to occur but the flame survives as a short kernel attached to the base of the bluff-body, until it is completely extinguished as the attached flames are gradually shrunk towards the bluff-body. The results are systematically compared with the hydrogen flame results reported in our earlier study. Examination of the characteristic time scales of relevant processes provided understanding of key mechanisms responsible for the observed differences, thereby allowing improved description of the local extinction and re-ignition dynamics that are critical to flame stabilization.

  9. Scientific Information Analysis of Chemistry Dissertations Using Thesaurus of Chemistry

    Taghi Rajabi

    2017-09-01

    Full Text Available : Concept maps of chemistry can be obtained from thesaurus of chemistry. Analysis of information in the field of chemistry is done at graduate level, based on comparing and analyzing chemistry dissertations by using these maps. Therefore, the use of thesaurus for analyzing scientific information is recommended. Major advantage of using this method, is that it is possible to obtain a detailed map of all academic researches across all branches of science. The researches analysis results in chemical science can play a key role in developing strategic research policies, educational programming, linking universities to industries and postgraduate educational programming. This paper will first introduce the concept maps of chemistry. Then, emerging patterns from the concept maps of chemistry will be used to analyze the trend in the academic dissertations in chemistry, using the data collected and stored in our database at Iranian Research Institute for Information Science and Technology (IranDoc over the past 10 years (1998-2009.

  10. Atmospheric Dispersion at Spatial Resolutions Below Mesoscale for university of Tennessee SimCenter at Chattanooga: Final Report

    Dr. David Whitfield; Dr. Daniel Hyams

    2009-09-14

    In Year 1 of this project, items 1.1 and 1.2 were addressed, as well as item 2.2. The baseline parallel computational simulation tool has been refined significantly over the timeline of this project for the purpose of atmospheric dispersion and transport problems; some of these refinements are documented in Chapter 3. The addition of a concentration transport capability (item 1.2) was completed, along with validation and usage in a highly complex urban environment. Multigrid capability (item 2.2) was a primary focus of Year 1 as well, regardless of the fact that it was scheduled for Year 2. It was determined by the authors that due to the very large nature of the meshes required for atmospheric simulations at mesoscale, multigrid was a key enabling technology for the rest of the project to be successful. Therefore, it was addressed early according to the schedule laid out in the original proposal. The technology behind the multigrid capability is discussed in detail in Chapter 5. Also in Year 1, the issue of ground topography specification is addressed. For simulations of pollutant transport in a given region, a key prerequisite is the specification of the detailed ground topography. The local topography must be placed into a form suitable for generating an unstructured grid both on the topography itself and the atmospheric volume above it; this effort is documented in Chapter 6. In Year 2 of this project, items 1.3 and 2.1 were addressed. Weather data in the form of wind speeds, relative humidity, and baseline pollution levels may be input into the code in order to improve the real-world fidelity of the solutions. Of course, the computational atmospheric boundary layer (ABL) boundary condition developed in Year 1 may still be used when necessary. Cloud cover may be simulated via the levels of actinic flux allowed in photochemical reactions in the atmospheric chemistry model. The primary focus of Year 2 was the formulation of a multispecies capability with included

  11. Wildfire particulate matter in Europe during summer 2003: meso-scale modeling of smoke emissions, transport and radiative effects

    A. Hodzic

    2007-08-01

    Full Text Available The present study investigates effects of wildfire emissions on air quality in Europe during an intense fire season that occurred in summer 2003. A meso-scale chemistry transport model CHIMERE is used, together with ground based and satellite aerosol optical measurements, to assess the dispersion of fire emissions and to quantify the associated radiative effects. The model has been improved to take into account a MODIS-derived daily smoke emission inventory as well as the injection altitude of smoke particles. The simulated aerosol optical properties are put into a radiative transfer model to estimate (off-line the effects of smoke particles on photolysis rates and atmospheric radiative forcing. We have found that the simulated wildfires generated comparable amounts of primary aerosol pollutants (130 kTons of PM2.5, fine particles to anthropogenic sources during August 2003, and caused significant changes in aerosol optical properties not only close to the fire source regions, but also over a large part of Europe as a result of the long-range transport of the smoke. Including these emissions into the model significantly improved its performance in simulating observed aerosol concentrations and optical properties. Quantitative comparison with MODIS and POLDER data during the major fire event (3–8 August 2003 showed the ability of the model to reproduce high aerosol optical thickness (AOT over Northern Europe caused by the advection of the smoke plume from the Portugal source region. Although there was a fairly good spatial agreement with satellite data (correlation coefficients ranging from 0.4 to 0.9, the temporal variability of AOT data at specific AERONET locations was not well captured by the model. Statistical analyses of model-simulated AOT data at AERONET ground stations showed a significant decrease in the model biases suggesting that wildfire emissions are responsible for a 30% enhancement in mean AOT values during the heat

  12. Physical Chemistry '98: Fourth International Conference on Fundamental and Applied Aspects of Physical Chemistry - Papers

    Ribnikar, S.; Anic, S.

    1998-01-01

    The proceedings has following chapters: Plenary lectures; Chemical Thermodynamics; Spectroscopy, Molecular Structures, Physical Chemistry of Plasma; Kinetics, Catalysis, Nonlinear Dynamics; Electrochemistry; Biophysical Chemistry, Photochemistry, Radiation Chemistry; Radiochemistry, Nuclear Chemistry; Solid State Physical Chemistry, Material Science; Macromolecular Physical Chemistry; Environmental Protection; Phase Boundaries; Complex Compounds; General Physical Chemistry. A separated abstract was prepared for each of the 20 papers selected from the three chapters: Biophysical Chemistry, Photochemistry, Radiation Chemistry; Radiochemistry, Nuclear Chemistry. and Environmental Protection. Refs and figs

  13. Does mesoscale matters in decadal changes observed in the northern Canary upwelling system?

    Relvas, P.; Luís, J.; Santos, A. M. P.

    2009-04-01

    The Western Iberia constitutes the northern limb of the Canary Current Upwelling System, one of the four Eastern Boundary Upwelling Systems of the world ocean. The strong dynamic link between the atmosphere and the ocean makes these systems highly sensitive to global change, ideal to monitor and investigate its effects. In order to investigate decadal changes of the mesoscale patterns in the Northern Canary upwelling system (off Western Iberia), the field of the satellite-derived sea surface temperature (SST) trends was built at the pixel scale (4x4 km) for the period 1985-2007, based on the monthly mean data from the Advanced Very High Resolution Radiometer (AVHRR) on board NOAA series satellites, provided by the NASA Physical Oceanography Distributed Active Archive Center (PO.DAAC) at the Jet Propulsion Laboratory. The time series were limited to the nighttime passes to avoid the solar heating effect and a suite of procedures were followed to guarantee that the temperature trends were not biased towards the seasonally more abundant summer data, when the sky is considerably clear. A robust linear fit was applied to each individual pixel, crossing along the time the same pixel in all the processed monthly mean AVHRR SST images from 1985 until 2007. The field of the SST trends was created upon the slopes of the linear fits applied to each pixel. Monthly mean SST time series from the one degree enhanced International Comprehensive Ocean-Atmosphere Data Set (ICOADS) and from near-shore measurements collected on a daily basis by the Portuguese Meteorological Office (IM) are also used to compare the results and extend the analysis back until 1960. A generalized warming trend is detected in the coastal waters off Western Iberia during the last decades, no matter which data set we analyse. However, significant spatial differences in the warming rates are observed in the satellite-derived SST trends. Remarkably, off the southern part of the Western Iberia the known

  14. High temperature water chemistry monitoring

    Aaltonen, P.

    1992-01-01

    Almost all corrosion phenomena in nuclear power plants can be prevented or at least damped by water chemistry control or by the change of water chemistry control or by the change of water chemistry. Successful water chemistry control needs regular and continuous monitoring of such water chemistry parameters like dissolved oxygen content, pH, conductivity and impurity contents. Conventionally the monitoring is carried out at low pressures and temperatures, which method, however, has some shortcomings. Recently electrodes have been developed which enables the direct monitoring at operating pressures and temperatures. (author). 2 refs, 5 figs

  15. Survey of PWR water chemistry

    Gorman, J.

    1989-02-01

    This report surveys available information regarding primary and secondary water chemistries of pressurized water reactors (PWRs) and the impact of these water chemistries on reactor operation. The emphasis of the document is on aspects of water chemistry that affect the integrity of the primary pressure boundary and the radiation dose associated with maintenance and operation. The report provides an historical overview of the development of primary and secondary water chemistries, and describes practices currently being followed. Current problems and areas of research associated with water chemistry are described. Recommendations for further research are included. 183 refs., 9 figs., 19 tabs

  16. Bubble and foam chemistry

    Pugh, Robert J

    2016-01-01

    This indispensable guide will equip the reader with a thorough understanding of the field of foaming chemistry. Assuming only basic theoretical background knowledge, the book provides a straightforward introduction to the principles and properties of foams and foaming surfactants. It discusses the key ideas that underpin why foaming occurs, how it can be avoided and how different degrees of antifoaming can be achieved, and covers the latest test methods, including laboratory and industrial developed techniques. Detailing a variety of different kinds of foams, from wet detergents and food foams, to polymeric, material and metal foams, it connects theory to real-world applications and recent developments in foam research. Combining academic and industrial viewpoints, this book is the definitive stand-alone resource for researchers, students and industrialists working on foam technology, colloidal systems in the field of chemical engineering, fluid mechanics, physical chemistry, and applied physics.

  17. Carbohydrates in Supramolecular Chemistry.

    Delbianco, Martina; Bharate, Priya; Varela-Aramburu, Silvia; Seeberger, Peter H

    2016-02-24

    Carbohydrates are involved in a variety of biological processes. The ability of sugars to form a large number of hydrogen bonds has made them important components for supramolecular chemistry. We discuss recent advances in the use of carbohydrates in supramolecular chemistry and reveal that carbohydrates are useful building blocks for the stabilization of complex architectures. Systems are presented according to the scaffold that supports the glyco-conjugate: organic macrocycles, dendrimers, nanomaterials, and polymers are considered. Glyco-conjugates can form host-guest complexes, and can self-assemble by using carbohydrate-carbohydrate interactions and other weak interactions such as π-π interactions. Finally, complex supramolecular architectures based on carbohydrate-protein interactions are discussed.

  18. Nuclear analytical chemistry

    Brune, D.; Forkman, B.; Persson, B.

    1984-01-01

    This book covers the general theories and techniques of nuclear chemical analysis, directed at applications in analytical chemistry, nuclear medicine, radiophysics, agriculture, environmental sciences, geological exploration, industrial process control, etc. The main principles of nuclear physics and nuclear detection on which the analysis is based are briefly outlined. An attempt is made to emphasise the fundamentals of activation analysis, detection and activation methods, as well as their applications. The book provides guidance in analytical chemistry, agriculture, environmental and biomedical sciences, etc. The contents include: the nuclear periodic system; nuclear decay; nuclear reactions; nuclear radiation sources; interaction of radiation with matter; principles of radiation detectors; nuclear electronics; statistical methods and spectral analysis; methods of radiation detection; neutron activation analysis; charged particle activation analysis; photon activation analysis; sample preparation and chemical separation; nuclear chemical analysis in biological and medical research; the use of nuclear chemical analysis in the field of criminology; nuclear chemical analysis in environmental sciences, geology and mineral exploration; and radiation protection.

  19. Quo vadis, analytical chemistry?

    Valcárcel, Miguel

    2016-01-01

    This paper presents an open, personal, fresh approach to the future of Analytical Chemistry in the context of the deep changes Science and Technology are anticipated to experience. Its main aim is to challenge young analytical chemists because the future of our scientific discipline is in their hands. A description of not completely accurate overall conceptions of our discipline, both past and present, to be avoided is followed by a flexible, integral definition of Analytical Chemistry and its cornerstones (viz., aims and objectives, quality trade-offs, the third basic analytical reference, the information hierarchy, social responsibility, independent research, transfer of knowledge and technology, interfaces to other scientific-technical disciplines, and well-oriented education). Obsolete paradigms, and more accurate general and specific that can be expected to provide the framework for our discipline in the coming years are described. Finally, the three possible responses of analytical chemists to the proposed changes in our discipline are discussed.

  20. Medicinal chemistry for 2020

    Satyanarayanajois, Seetharama D; Hill, Ronald A

    2011-01-01

    Rapid advances in our collective understanding of biomolecular structure and, in concert, of biochemical systems, coupled with developments in computational methods, have massively impacted the field of medicinal chemistry over the past two decades, with even greater changes appearing on the horizon. In this perspective, we endeavor to profile some of the most prominent determinants of change and speculate as to further evolution that may consequently occur during the next decade. The five main angles to be addressed are: protein–protein interactions; peptides and peptidomimetics; molecular diversity and pharmacological space; molecular pharmacodynamics (significance, potential and challenges); and early-stage clinical efficacy and safety. We then consider, in light of these, the future of medicinal chemistry and the educational preparation that will be required for future medicinal chemists. PMID:22004084