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Sample records for consistent geochemical model

  1. Towards a consistent geochemical model for prediction of uranium(VI) removal from groundwater by ferrihydrite

    International Nuclear Information System (INIS)

    Gustafsson, Jon Petter; Daessman, Ellinor; Baeckstroem, Mattias

    2009-01-01

    Uranium(VI), which is often elevated in granitoidic groundwaters, is known to adsorb strongly to Fe (hydr)oxides under certain conditions. This process can be used in water treatment to remove U(VI). To develop a consistent geochemical model for U(VI) adsorption to ferrihydrite, batch experiments were performed and previous data sets reviewed to optimize a set of surface complexation constants using the 3-plane CD-MUSIC model. To consider the effect of dissolved organic matter (DOM) on U(VI) speciation, new parameters for the Stockholm Humic Model (SHM) were optimized using previously published data. The model, which was constrained from available X-ray absorption fine structure (EXAFS) spectroscopy evidence, fitted the data well when the surface sites were divided into low- and high-affinity binding sites. Application of the model concept to other published data sets revealed differences in the reactivity of different ferrihydrites towards U(VI). Use of the optimized SHM parameters for U(VI)-DOM complexation showed that this process is important for U(VI) speciation at low pH. However in neutral to alkaline waters with substantial carbonate present, Ca-U-CO 3 complexes predominate. The calibrated geochemical model was used to simulate U(VI) adsorption to ferrihydrite for a hypothetical groundwater in the presence of several competitive ions. The results showed that U(VI) adsorption was strong between pH 5 and 8. Also near the calcite saturation limit, where U(VI) adsorption was weakest according to the model, the adsorption percentage was predicted to be >80%. Hence U(VI) adsorption to ferrihydrite-containing sorbents may be used as a method to bring down U(VI) concentrations to acceptable levels in groundwater

  2. Geochemical modeling: a review

    International Nuclear Information System (INIS)

    Jenne, E.A.

    1981-06-01

    Two general families of geochemical models presently exist. The ion speciation-solubility group of geochemical models contain submodels to first calculate a distribution of aqueous species and to secondly test the hypothesis that the water is near equilibrium with particular solid phases. These models may or may not calculate the adsorption of dissolved constituents and simulate the dissolution and precipitation (mass transfer) of solid phases. Another family of geochemical models, the reaction path models, simulates the stepwise precipitation of solid phases as a result of reacting specified amounts of water and rock. Reaction path models first perform an aqueous speciation of the dissolved constituents of the water, test solubility hypotheses, then perform the reaction path modeling. Certain improvements in the present versions of these models would enhance their value and usefulness to applications in nuclear-waste isolation, etc. Mass-transfer calculations of limited extent are certainly within the capabilities of state-of-the-art models. However, the reaction path models require an expansion of their thermodynamic data bases and systematic validation before they are generally accepted

  3. Geochemical modeling: a review

    Energy Technology Data Exchange (ETDEWEB)

    Jenne, E.A.

    1981-06-01

    Two general families of geochemical models presently exist. The ion speciation-solubility group of geochemical models contain submodels to first calculate a distribution of aqueous species and to secondly test the hypothesis that the water is near equilibrium with particular solid phases. These models may or may not calculate the adsorption of dissolved constituents and simulate the dissolution and precipitation (mass transfer) of solid phases. Another family of geochemical models, the reaction path models, simulates the stepwise precipitation of solid phases as a result of reacting specified amounts of water and rock. Reaction path models first perform an aqueous speciation of the dissolved constituents of the water, test solubility hypotheses, then perform the reaction path modeling. Certain improvements in the present versions of these models would enhance their value and usefulness to applications in nuclear-waste isolation, etc. Mass-transfer calculations of limited extent are certainly within the capabilities of state-of-the-art models. However, the reaction path models require an expansion of their thermodynamic data bases and systematic validation before they are generally accepted.

  4. Consistent model driven architecture

    Science.gov (United States)

    Niepostyn, Stanisław J.

    2015-09-01

    The goal of the MDA is to produce software systems from abstract models in a way where human interaction is restricted to a minimum. These abstract models are based on the UML language. However, the semantics of UML models is defined in a natural language. Subsequently the verification of consistency of these diagrams is needed in order to identify errors in requirements at the early stage of the development process. The verification of consistency is difficult due to a semi-formal nature of UML diagrams. We propose automatic verification of consistency of the series of UML diagrams originating from abstract models implemented with our consistency rules. This Consistent Model Driven Architecture approach enables us to generate automatically complete workflow applications from consistent and complete models developed from abstract models (e.g. Business Context Diagram). Therefore, our method can be used to check practicability (feasibility) of software architecture models.

  5. Status report on geochemical modelling

    International Nuclear Information System (INIS)

    Read, D.

    1991-12-01

    This report describes the findings of a review undertaken on behalf of the project management group of the programme 'Endlagersicherheit in der Nachbetriebsphase' based at GSF-IfT (Forschungszentrum fuer Umwelt und Gesundheit - Institut fuer Tieflagerung) to establish the current status of research into the simulation of geochemical processes relevant to radiological assessment. The review is intended to contribute to Stage 1 of a strategy formulated to enhance the use of geochemical models in Germany. Emphasis has been placed on processes deemed to be of greatest relevance to performance assessment for a HLW-repository in a salt dome principally, speciation-solubility in high salinity solutions, complexation by natural organics and generation-transport of colloids. For each of these and other topics covered, a summary is given of fundamental concepts, theoretical representations and their limitations, highlighting, where appropriate, the advantages and disadvantages of alternative approaches. The availability of data to quantify any given representation is addressed, taking into account the need for information at elevated temperatures and pressures. Mass transfer is considered in terms of aqueous, particulate and gas-mediated transport, respectively. (orig.) [de

  6. Proceedings of the workshop on geochemical modeling

    International Nuclear Information System (INIS)

    1986-01-01

    The following collection of papers was presented at a workshop on geochemical modeling that was sponsored by the Office of Civilian Radioactive Waste Management Program at the Lawrence Livermore National Laboratory (LLNL). The LLNL Waste Management Program sponsored this conference based on their belief that geochemical modeling is particularly important to the radioactive waste disposal project because of the need to predict the consequences of long-term water-rock interactions at the proposed repository site. The papers included in this volume represent a subset of the papers presented at the Fallen Leaf Lake Conference and cover a broad spectrum of detail and breadth in a subject that reflects the diverse research interests of the conference participants. These papers provide an insightful look into the current status of geochemical modeling and illustrate how various geochemical modeling codes have been applied to problems of geochemical interest. The emphasis of these papers includes traditional geochemical modeling studies of individual geochemical systems, the mathematical and theoretical development and refinement of new modeling capabilities, and enhancements of data bases on which the computations are based. The papers in this proceedings volume have been organized into the following four areas: Geochemical Model Development, Hydrothermal and Geothermal Systems, Sedimentary and Low Temperature Environments, and Data Base Development. The participants of this symposium and a complete list of the talks presented are listed in the appendices

  7. Proceedings of the workshop on geochemical modeling

    Energy Technology Data Exchange (ETDEWEB)

    1986-01-01

    The following collection of papers was presented at a workshop on geochemical modeling that was sponsored by the Office of Civilian Radioactive Waste Management Program at the Lawrence Livermore National Laboratory (LLNL). The LLNL Waste Management Program sponsored this conference based on their belief that geochemical modeling is particularly important to the radioactive waste disposal project because of the need to predict the consequences of long-term water-rock interactions at the proposed repository site. The papers included in this volume represent a subset of the papers presented at the Fallen Leaf Lake Conference and cover a broad spectrum of detail and breadth in a subject that reflects the diverse research interests of the conference participants. These papers provide an insightful look into the current status of geochemical modeling and illustrate how various geochemical modeling codes have been applied to problems of geochemical interest. The emphasis of these papers includes traditional geochemical modeling studies of individual geochemical systems, the mathematical and theoretical development and refinement of new modeling capabilities, and enhancements of data bases on which the computations are based. The papers in this proceedings volume have been organized into the following four areas: Geochemical Model Development, Hydrothermal and Geothermal Systems, Sedimentary and Low Temperature Environments, and Data Base Development. The participants of this symposium and a complete list of the talks presented are listed in the appendices.

  8. Coupling of transport and geochemical models

    International Nuclear Information System (INIS)

    Noy, D.J.

    1986-01-01

    This report considers mass transport in the far-field of a radioactive waste repository, and detailed geochemical modelling of the ground-water in the near-field. A parallel approach to this problem of coupling transport and geochemical codes is the subject of another CEC report (ref. EUR 10226). Both studies were carried out in the framework of the CEC project MIRAGE. (Migration of radionuclides in the geosphere)

  9. Geochemical modelling baseline compositions of groundwater

    DEFF Research Database (Denmark)

    Postma, Diederik Jan; Kjøller, Claus; Andersen, Martin Søgaard

    2008-01-01

    and variations in water chemistry that are caused by large scale geochemical processes taking place at the timescale of thousands of years. The most important geochemical processes are ion exchange (Valreas and Aveiro) where freshwater solutes are displacing marine ions from the sediment surface, and carbonate......Reactive transport models, were developed to explore the evolution in groundwater chemistry along the flow path in three aquifers; the Triassic East Midland aquifer (UK), the Miocene aquifer at Valreas (F) and the Cretaceous aquifer near Aveiro (P). All three aquifers contain very old groundwaters...... dissolution (East Midlands, Valreas and Aveiro). Reactive transport models, employing the code PHREEQC, which included these geochemical processes and one-dimensional solute transport were able to duplicate the observed patterns in water quality. These models may provide a quantitative understanding...

  10. Coupling of transport and geochemical models

    International Nuclear Information System (INIS)

    Noy, D.J.

    1985-01-01

    This contract stipulated separate pieces of work to consider mass transport in the far-field of a repository, and more detailed geochemical modelling of the groundwater in the near-field. It was envisaged that the far-field problem would be tackled by numerical solutions to the classical advection-diffusion equation obtained by the finite element method. For the near-field problem the feasibility of coupling existing geochemical equilibrium codes to the three dimensional groundwater flow codes was to be investigated. This report is divided into two sections with one part devoted to each aspect of this contract. (author)

  11. Geochemical modelling: what phenomena are missing

    International Nuclear Information System (INIS)

    Jacquier, P.

    1989-12-01

    In the framework of safety assessment of radioactive waste disposal, retention phenomena are usually taken into account by the Kd concept. It is well recognized that this concept is not enough for safety assessment models, because of the several and strong assumptions which are involved in this kind of representation. One way to have a better representation of the retention phenomena, is to substitute for this Kd concept an explicit description of geochemical phenomena and then couple transport codes with geochemical codes in a fully or a two-step procedure. We use currently such codes, but the scope of this paper is to display the limits today of the geochemical modelling in connection with sites analysis for deep disposal. In this paper, we intend to give an overview of phenomena which are missing in the geochemical models, or which are not completely introduced in the models. We can distinguish, on one hand phenomena for which modelling concepts exist such as adsorption/desorption and, on the other hand, phenomena for which modelling concepts do not exist for the moment such as colloids, and complexation by polyelectrolyte solutions (organics). Moreover we have to take care of very low concentrations of radionuclides, which can be expected from the leaching processes in the repository. Under those conditions, some reactions may not occur. After a critical review of the involved phenomena, we intend to stress the main directions of the wishful evolution of the geochemical modelling. This evolution should improve substantially the quality of the above-mentioned site assessments

  12. Retention/sorption and geochemical modelling

    Energy Technology Data Exchange (ETDEWEB)

    Arcos, D.; Grandia, F.; Domenech, C. [Enviros Spain, S.L., Barcelona (Spain); SCK-CEN, Mol (Belgium); Sellin, P. [SKB - Swedish Nuclear Fuel and Waste Management, SE, Stockholm (Sweden); Hunter, F.M.I.; Bate, F.; Heath, T.G.; Hoch, A. [Serco Assurance, Oxfordshire (United Kingdom); Werme, L.O. [SKB - Svensk Karnbranslehantering AB, Stockholm (Sweden); Bruggeman, C.; Maes, I.A.; Breynaert, E.; Vancluysen, J. [Leuven Katholieke Univ., Lab. for Colloid Chemistry (Belgium); Montavon, G.; Guo, Z. [Ecole des Mines, 44 - Nantes (France); Riebe, B.; Bunnenberg, C.; Meleshyn, A. [Leibniz Univ. Hannover, Zentrum fur Strahlenschutz und Radiookologie, Hannover (Germany); Dultz, S. [Leibniz Univ. Hannover, Institut fur Bodenkunde, Hannover (Germany)

    2007-07-01

    This session gathers 4 articles dealing with: the long-term geochemical evolution of the near field of a KBS-3 HLNW repository: insights from reactive transport modelling (D. Arcos, F. Grandia, C. Domenech, P. Sellin); the investigation of iron transport into bentonite from anaerobically corroding steel: a geochemical modelling study (F.M.I. Hunter, F. Bate, T.G. Heath, A. Hoch, L.O. Werme); SeO{sub 3}{sup 2-} adsorption on conditioned Na-illite: XAS spectroscopy, kinetics, surface complexation model and influence of compaction (C. Bruggeman, A. Maes, G. Montavon, E. Breynaert, Z. Guo, J. Vancluysen); the influence of temperature and gamma-irradiation on the anion sorption capacity of modified bentonites (B. Riebe, C. Bunnenberg, A. Meleshyn, S. Dultz)

  13. Geochemical Modeling of ILAW Lysimeter Water Extracts

    Energy Technology Data Exchange (ETDEWEB)

    Cantrell, Kirk J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2014-12-22

    Geochemical modeling results of water extracts from simulated immobilized low-activity waste (ILAW) glasses, placed in lysimeters for eight years suggest that the secondary phase reaction network developed using product consistency test (PCT) results at 90°C may need to be modified for field conditions. For sediment samples that had been collected from near the glass samples, the impact of glass corrosion could be readily observed based upon the pH of their water extracts. For unimpacted sediments the pH ranged from 7.88 to 8.11 with an average of 8.04. Sediments that had observable impacts from glass corrosion exhibited elevated pH values (as high as 9.97). For lysimeter sediment samples that appear to have been impacted by glass corrosion to the greatest extent, saturation indices determined for analcime, calcite, and chalcedony in the 1:1 water extracts were near equilibrium and were consistent with the secondary phase reaction network developed using PCT results at 90°C. Fe(OH)3(s) also appears to be essentially at equilibrium in extracts impacted by glass corrosion, but with a solubility product (log Ksp) that is approximately 2.13 units lower than that used in the secondary phase reaction network developed using PCT results at 90°C. The solubilities of TiO2(am) and ZrO2(am) also appear to be much lower than that assumed in the secondary phase reaction network developed using PCT results at 90°C. The extent that the solubility of TiO2(am) and ZrO2(am) were reduced relative to that assumed in the secondary phase reaction network developed using PCT results at 90°C could not be quantified because the concentrations of Ti and Zr in the extracts were below the estimated quantification limit. Gibbsite was consistently highly oversaturated in the extract while dawsonite was at or near equilibrium. This suggests that dawsonite might be a more suitable phase for the secondary phase reaction network

  14. Geochemical modelling. Pt.1, Pt.2

    International Nuclear Information System (INIS)

    Skytte Jensen, B.; Jensen, H.; Pearson, F.J.

    1992-01-01

    This work is carried out under cost-sharing contract with the European Atomic Energy Community in the framework of its fourth research programme on radioactive waste management and radioactive waste storage. This final report is subdivided into two parts. In the first part, JENSEN, a computer code for the computation of chemical equilibria in aqueous systems, describes the structure, function and use of a new geochemical computer program intended for PC's. The program, which is written in Turbo Pascal, version 4, is fundamentally similar to most other geochemical programs, but combines in one program several of the merits these programs have. The intention has been to make an advanced program, which also should be user friendly and fast, and to attain this several new algorithms have been developed and implemented. The program has a built-in database mainly based on the CHEMVAL compilation containing data for 395 soluble species and 149 minerals. The program can find equilibria in the presence of all or some of these soluble species, under conditions or fixed or floating pH and / or Redox potential. The program by itself eliminates a bad guess of a candidate for precipitation. In the present version, the program can identify which minerals and how much of them there will be formed when equilibrium is established. In the second part, LITTLE JOE, an expert system to support geochemical modelling, describes the construction of a minor expert system for use in the evaluation of analytical data for the composition of ground waters from limestone formation. Although the example given is rather limited in scope, the application of the expert system for the evaluation of the analytical data clearly demonstrates the mature expert knowledge imbedded in the system which is contrasted with the uncritical acceptance of analytical or theoretical data. With the overall neglect of ion-exchange and the formation of solid solutions in geochemical calculations, geochemistry is

  15. Geochemical modeling of uranium mill tailings: a case study

    International Nuclear Information System (INIS)

    Peterson, S.R.; Felmy, A.R.; Serne, R.J.; Gee, G.W.

    1983-08-01

    Liner failure was not found to be a problem when various acidic tailings solutions leached through liner materials for periods up to 3 y. On the contrary, materials that contained over 30% clay showed a decrease in permeability with time in the laboratory columns. The decreases in permeability noted above are attributed to pore plugging resulting from the precipitation of minerals and solids. This precipitation takes place due to the increase in pH of the tailings solution brought about by the buffering capacity of the soil. Geochemical modeling predicts, and x-ray characterization confirms, that precipitation of solids from solution is occurring in the acidic tailings solution/liner interactions studied. X-ray diffraction identified gypsum and alunite group minerals, such as jarosite, as having precipitated after acidic tailings solutions reacted with clay liners. The geochemical modeling and experimental work described above were used to construct an equilibrium conceptual model consisting of minerals and solid phases. This model was developed to represent a soil column. A computer program was used as a tool to solve the system of mathematical equations imposed by the conceptual chemical model. The combined conceptual model and computer program were used to predict aqueous phase compositions of effluent solutions from permeability cells packed with geologic materials and percolated with uranium mill tailings solutions. An initial conclusion drawn from these studies is that the laboratory experiments and geochemical modeling predictions were capable of simulating field observations. The same mineralogical changes and contaminant reductions observed in the laboratory studies were found at a drained evaporation pond (Lucky Mc in Wyoming) with a 10-year history of acid attack. 24 references, 5 figures 5 tables

  16. Geochemical modeling of magmatic gas scrubbing

    Directory of Open Access Journals (Sweden)

    B. Gambardella

    2005-06-01

    Full Text Available The EQ3/6 software package, version 7.2 was successfully used to model scrubbing of magmatic gas by pure water at 0.1 MPa, in the liquid and liquid-plus-gas regions. Some post-calculations were necessary to account for gas separation effects. In these post-calculations, redox potential was considered to be fixed by precipitation of crystalline a-sulfur, a ubiquitous and precocious process. As geochemical modeling is constrained by conservation of enthalpy upon water-gas mixing, the enthalpies of the gas species of interest were reviewed, adopting as reference state the liquid phase at the triple point. Our results confirm that significant emissions of highly acidic gas species (SO2(g, HCl(g, and HF(g are prevented by scrubbing, until dry conditions are established, at least locally. Nevertheless important outgassing of HCl(g can take place from acid, HCl-rich brines. Moreover, these findings support the rule of thumb which is generally used to distinguish SO2-, HCl-, and HF-bearing magmatic gases from SO2-, HCl-, and HF-free hydrothermal gases.

  17. Consistent ranking of volatility models

    DEFF Research Database (Denmark)

    Hansen, Peter Reinhard; Lunde, Asger

    2006-01-01

    We show that the empirical ranking of volatility models can be inconsistent for the true ranking if the evaluation is based on a proxy for the population measure of volatility. For example, the substitution of a squared return for the conditional variance in the evaluation of ARCH-type models can...... variance in out-of-sample evaluations rather than the squared return. We derive the theoretical results in a general framework that is not specific to the comparison of volatility models. Similar problems can arise in comparisons of forecasting models whenever the predicted variable is a latent variable....

  18. WATEQ3 geochemical model: thermodynamic data for several additional solids

    International Nuclear Information System (INIS)

    Krupka, K.M.; Jenne, E.A.

    1982-09-01

    Geochemical models such as WATEQ3 can be used to model the concentrations of water-soluble pollutants that may result from the disposal of nuclear waste and retorted oil shale. However, for a model to competently deal with these water-soluble pollutants, an adequate thermodynamic data base must be provided that includes elements identified as important in modeling these pollutants. To this end, several minerals and related solid phases were identified that were absent from the thermodynamic data base of WATEQ3. In this study, the thermodynamic data for the identified solids were compiled and selected from several published tabulations of thermodynamic data. For these solids, an accepted Gibbs free energy of formation, ΔG 0 /sub f,298/, was selected for each solid phase based on the recentness of the tabulated data and on considerations of internal consistency with respect to both the published tabulations and the existing data in WATEQ3. For those solids not included in these published tabulations, Gibbs free energies of formation were calculated from published solubility data (e.g., lepidocrocite), or were estimated (e.g., nontronite) using a free-energy summation method described by Mattigod and Sposito (1978). The accepted or estimated free energies were then combined with internally consistent, ancillary thermodynamic data to calculate equilibrium constants for the hydrolysis reactions of these minerals and related solid phases. Including these values in the WATEQ3 data base increased the competency of this geochemical model in applications associated with the disposal of nuclear waste and retorted oil shale. Additional minerals and related solid phases that need to be added to the solubility submodel will be identified as modeling applications continue in these two programs

  19. Uncertainty in reactive transport geochemical modelling

    International Nuclear Information System (INIS)

    Oedegaard-Jensen, A.; Ekberg, C.

    2005-01-01

    Full text of publication follows: Geochemical modelling is one way of predicting the transport of i.e. radionuclides in a rock formation. In a rock formation there will be fractures in which water and dissolved species can be transported. The composition of the water and the rock can either increase or decrease the mobility of the transported entities. When doing simulations on the mobility or transport of different species one has to know the exact water composition, the exact flow rates in the fracture and in the surrounding rock, the porosity and which minerals the rock is composed of. The problem with simulations on rocks is that the rock itself it not uniform i.e. larger fractures in some areas and smaller in other areas which can give different water flows. The rock composition can be different in different areas. In additions to this variance in the rock there are also problems with measuring the physical parameters used in a simulation. All measurements will perturb the rock and this perturbation will results in more or less correct values of the interesting parameters. The analytical methods used are also encumbered with uncertainties which in this case are added to the uncertainty from the perturbation of the analysed parameters. When doing simulation the effect of the uncertainties must be taken into account. As the computers are getting faster and faster the complexity of simulated systems are increased which also increase the uncertainty in the results from the simulations. In this paper we will show how the uncertainty in the different parameters will effect the solubility and mobility of different species. Small uncertainties in the input parameters can result in large uncertainties in the end. (authors)

  20. Coupling between a geochemical model and a transport model of dissolved elements

    International Nuclear Information System (INIS)

    Jacquier, P.

    1988-10-01

    In order to assess the safety analysis of an underground repository, the transport of radioelements in groundwater and their interactions with the geological medium are modelled. The objective of this work is the setting up and experimental validation of the coupling of a geochemical model with a transport model of dissolved elements. A laboratory experiment was developed at the CEA center of Cadarache. Flow-through experiments were carried out on columns filled with crushed limestone, where several inflow conditions were taken into account as the temperature, the presence of a pollutant (strontium chloride) at different concentrations. The results consist of the evolution of the chemical composition of the water at the outlet of the column. The final aim of the study is to explain these results with a coupled model where geochemical and transport phenomena are modelled in a two-step procedure. This code, called STELE, was built by introducing a geochemical code, CHIMERE, into an existing transport code, METIS. At this stage, the code CHIMERE can take into account: any chemical reaction in aqueous phase (complexation, acid-base reaction, redox equilibrium), dissolution-precipitation of minerals and solid phases, dissolution-degassing of gas. The paper intends to describe the whole process leading to the coupling which can be forecasted over the next years between geochemical and transport models

  1. Geochemical modelling of groundwater evolution using chemical equilibrium codes

    International Nuclear Information System (INIS)

    Pitkaenen, P.; Pirhonen, V.

    1991-01-01

    Geochemical equilibrium codes are a modern tool in studying interaction between groundwater and solid phases. The most common used programs and application subjects are shortly presented in this article. The main emphasis is laid on the approach method of using calculated results in evaluating groundwater evolution in hydrogeological system. At present in geochemical equilibrium modelling also kinetic as well as hydrologic constrains along a flow path are taken into consideration

  2. Manual hierarchical clustering of regional geochemical data using a Bayesian finite mixture model

    International Nuclear Information System (INIS)

    Ellefsen, Karl J.; Smith, David B.

    2016-01-01

    Interpretation of regional scale, multivariate geochemical data is aided by a statistical technique called “clustering.” We investigate a particular clustering procedure by applying it to geochemical data collected in the State of Colorado, United States of America. The clustering procedure partitions the field samples for the entire survey area into two clusters. The field samples in each cluster are partitioned again to create two subclusters, and so on. This manual procedure generates a hierarchy of clusters, and the different levels of the hierarchy show geochemical and geological processes occurring at different spatial scales. Although there are many different clustering methods, we use Bayesian finite mixture modeling with two probability distributions, which yields two clusters. The model parameters are estimated with Hamiltonian Monte Carlo sampling of the posterior probability density function, which usually has multiple modes. Each mode has its own set of model parameters; each set is checked to ensure that it is consistent both with the data and with independent geologic knowledge. The set of model parameters that is most consistent with the independent geologic knowledge is selected for detailed interpretation and partitioning of the field samples. - Highlights: • We evaluate a clustering procedure by applying it to geochemical data. • The procedure generates a hierarchy of clusters. • Different levels of the hierarchy show geochemical processes at different spatial scales. • The clustering method is Bayesian finite mixture modeling. • Model parameters are estimated with Hamiltonian Monte Carlo sampling.

  3. Modeling Background Radiation in our Environment Using Geochemical Data

    Energy Technology Data Exchange (ETDEWEB)

    Malchow, Russell L.; Marsac, Kara [University of Nevada, Las Vegas; Burnley, Pamela [University of Nevada, Las Vegas; Hausrath, Elisabeth [Uniiversity of Nevada, Las Vegas; Haber, Daniel [University of Nevada, Las Vegas; Adcock, Christopher [University of Nevada, Las Vegas

    2015-02-01

    Radiation occurs naturally in bedrock and soil. Gamma rays are released from the decay of the radioactive isotopes K, U, and Th. Gamma rays observed at the surface come from the first 30 cm of rock and soil. The energy of gamma rays is specific to each isotope, allowing identification. For this research, data was collected from national databases, private companies, scientific literature, and field work. Data points were then evaluated for self-consistency. A model was created by converting concentrations of U, K, and Th for each rock and soil unit into a ground exposure rate using the following equation: D=1.32 K+ 0.548 U+ 0.272 Th. The first objective of this research was to compare the original Aerial Measurement System gamma ray survey to results produced by the model. The second objective was to improve the method and learn the constraints of the model. Future work will include sample data analysis from field work with a goal of improving the geochemical model.

  4. Comparison of thermodynamic databases used in geochemical modelling

    International Nuclear Information System (INIS)

    Chandratillake, M.R.; Newton, G.W.A.; Robinson, V.J.

    1988-05-01

    Four thermodynamic databases used by European groups for geochemical modelling have been compared. Thermodynamic data for both aqueous species and solid species have been listed. When the values are directly comparable any differences between them have been highlighted at two levels of significance. (author)

  5. Overview of geochemical modeling needs for nuclear waste management

    International Nuclear Information System (INIS)

    Isherwood, D.J.; Wolery, T.J.

    1985-01-01

    Geochemical modeling needs for nuclear waste management are discussed with an emphasis on data base development and computer code. Other areas for future research include: precipitation kinetics, fixed fugacity, sorption, glasslt. slashwater interactions, redox disequilibrium and kinetics, radiolysis, solid solutions, and isotopic fractionation. 15 references

  6. Modeling and Testing Legacy Data Consistency Requirements

    DEFF Research Database (Denmark)

    Nytun, J. P.; Jensen, Christian Søndergaard

    2003-01-01

    An increasing number of data sources are available on the Internet, many of which offer semantically overlapping data, but based on different schemas, or models. While it is often of interest to integrate such data sources, the lack of consistency among them makes this integration difficult....... This paper addresses the need for new techniques that enable the modeling and consistency checking for legacy data sources. Specifically, the paper contributes to the development of a framework that enables consistency testing of data coming from different types of data sources. The vehicle is UML and its...... accompanying XMI. The paper presents techniques for modeling consistency requirements using OCL and other UML modeling elements: it studies how models that describe the required consistencies among instances of legacy models can be designed in standard UML tools that support XMI. The paper also considers...

  7. Validation of the WATEQ4 geochemical model for uranium

    International Nuclear Information System (INIS)

    Krupka, K.M.; Jenne, E.A.; Deutsch, W.J.

    1983-09-01

    As part of the Geochemical Modeling and Nuclide/Rock/Groundwater Interactions Studies Program, a study was conducted to partially validate the WATEQ4 aqueous speciation-solubility geochemical model for uranium. The solubility controls determined with the WATEQ4 geochemical model were in excellent agreement with those laboratory studies in which the solids schoepite [UO 2 (OH) 2 . H 2 O], UO 2 (OH) 2 , and rutherfordine ((UO 2 CO 3 ) were identified as actual solubility controls for uranium. The results of modeling solution analyses from laboratory studies of uranyl phosphate solids, however, identified possible errors in the characterization of solids in the original solubility experiments. As part of this study, significant deficiencies in the WATEQ4 thermodynamic data base for uranium solutes and solids were corrected. Revisions included recalculation of selected uranium reactions. Additionally, thermodynamic data for the hydroxyl complexes of U(VI), including anionic (VI) species, were evaluated (to the extent permitted by the available data). Vanadium reactions were also added to the thermodynamic data base because uranium-vanadium solids can exist in natural ground-water systems. This study is only a partial validation of the WATEQ4 geochemical model because the available laboratory solubility studies do not cover the range of solid phases, alkaline pH values, and concentrations of inorganic complexing ligands needed to evaluate the potential solubility of uranium in ground waters associated with various proposed nuclear waste repositories. Further validation of this or other geochemical models for uranium will require careful determinations of uraninite solubility over the pH range of 7 to 10 under highly reducing conditions and of uranyl hydroxide and phosphate solubilities over the pH range of 7 to 10 under oxygenated conditions

  8. Consistency of the MLE under mixture models

    OpenAIRE

    Chen, Jiahua

    2016-01-01

    The large-sample properties of likelihood-based statistical inference under mixture models have received much attention from statisticians. Although the consistency of the nonparametric MLE is regarded as a standard conclusion, many researchers ignore the precise conditions required on the mixture model. An incorrect claim of consistency can lead to false conclusions even if the mixture model under investigation seems well behaved. Under a finite normal mixture model, for instance, the consis...

  9. Geochemical databases. Part 1. Pmatch: a program to manage thermochemical data. Part 2. The experimental validation of geochemical computer models

    International Nuclear Information System (INIS)

    Pearson, F.J. Jr.; Avis, J.D.; Nilsson, K.; Skytte Jensen, B.

    1993-01-01

    This work is carried out under cost-sharing contract with European Atomic Energy Community in the framework of its programme on Management and Storage of Radioactive Wastes. Part 1: PMATCH, A Program to Manage Thermochemical Data, describes the development and use of a computer program, by means of which new thermodynamic data from literature may be referenced to a common frame and thereby become internally consistent with an existing database. The report presents the relevant thermodynamic expressions and their use in the program is discussed. When there is not sufficient thermodynamic data available to describe a species behaviour under all conceivable conditions, the problems arising are thoroughly discussed and the available data is handled by approximating expressions. Part II: The Experimental Validation of Geochemical Computer models are the results of experimental investigations of the equilibria established in aqueous suspensions of mixtures of carbonate minerals (Calcium, magnesium, manganese and europium carbonates) compared with theoretical calculations made by means of the geochemical JENSEN program. The study revealed that the geochemical computer program worked well, and that its database was of sufficient validity. However, it was observed that experimental difficulties could hardly be avoided, when as here a gaseous component took part in the equilibria. Whereas the magnesium and calcium carbonates did not demonstrate mutual solid solubility, this produced abnormal effects when manganese and calcium carbonates were mixed resulting in a diminished solubility of both manganese and calcium. With tracer amounts of europium added to a suspension of calcite in sodium carbonate solutions long term experiments revealed a transition after 1-2 months, whereby the tracer became more strongly adsorbed onto calcite. The transition is interpreted as the nucleation and formation of a surface phase incorporating the 'species' NaEu(Co 3 ) 2

  10. Biological reduction of chlorinated solvents: Batch-scale geochemical modeling

    Science.gov (United States)

    Kouznetsova, Irina; Mao, Xiaomin; Robinson, Clare; Barry, D. A.; Gerhard, Jason I.; McCarty, Perry L.

    2010-09-01

    Simulation of biodegradation of chlorinated solvents in dense non-aqueous phase liquid (DNAPL) source zones requires a model that accounts for the complexity of processes involved and that is consistent with available laboratory studies. This paper describes such a comprehensive modeling framework that includes microbially mediated degradation processes, microbial population growth and decay, geochemical reactions, as well as interphase mass transfer processes such as DNAPL dissolution, gas formation and mineral precipitation/dissolution. All these processes can be in equilibrium or kinetically controlled. A batch modeling example was presented where the degradation of trichloroethene (TCE) and its byproducts and concomitant reactions (e.g., electron donor fermentation, sulfate reduction, pH buffering by calcite dissolution) were simulated. Local and global sensitivity analysis techniques were applied to delineate the dominant model parameters and processes. Sensitivity analysis indicated that accurate values for parameters related to dichloroethene (DCE) and vinyl chloride (VC) degradation (i.e., DCE and VC maximum utilization rates, yield due to DCE utilization, decay rate for DCE/VC dechlorinators) are important for prediction of the overall dechlorination time. These parameters influence the maximum growth rate of the DCE and VC dechlorinating microorganisms and, thus, the time required for a small initial population to reach a sufficient concentration to significantly affect the overall rate of dechlorination. Self-inhibition of chlorinated ethenes at high concentrations and natural buffering provided by the sediment were also shown to significantly influence the dechlorination time. Furthermore, the analysis indicated that the rates of the competing, nonchlorinated electron-accepting processes relative to the dechlorination kinetics also affect the overall dechlorination time. Results demonstrated that the model developed is a flexible research tool that is

  11. Consistent spectroscopy for a extended gauge model

    International Nuclear Information System (INIS)

    Oliveira Neto, G. de.

    1990-11-01

    The consistent spectroscopy was obtained with a Lagrangian constructed with vector fields with a U(1) group extended symmetry. As consistent spectroscopy is understood the determination of quantum physical properties described by the model in an manner independent from the possible parametrizations adopted in their description. (L.C.J.A.)

  12. Geochemical mole-balance modeling with uncertain data

    Science.gov (United States)

    Parkhurst, David L.

    1997-01-01

    Geochemical mole-balance models are sets of chemical reactions that quantitatively account for changes in the chemical and isotopic composition of water along a flow path. A revised mole-balance formulation that includes an uncertainty term for each chemical and isotopic datum is derived. The revised formulation is comprised of mole-balance equations for each element or element redox state, alkalinity, electrons, solvent water, and each isotope; a charge-balance equation and an equation that relates the uncertainty terms for pH, alkalinity, and total dissolved inorganic carbon for each aqueous solution; inequality constraints on the size of the uncertainty terms; and inequality constraints on the sign of the mole transfer of reactants. The equations and inequality constraints are solved by a modification of the simplex algorithm combined with an exhaustive search for unique combinations of aqueous solutions and reactants for which the equations and inequality constraints can be solved and the uncertainty terms minimized. Additional algorithms find only the simplest mole-balance models and determine the ranges of mixing fractions for each solution and mole transfers for each reactant that are consistent with specified limits on the uncertainty terms. The revised formulation produces simpler and more robust mole-balance models and allows the significance of mixing fractions and mole transfers to be evaluated. In an example from the central Oklahoma aquifer, inclusion of up to 5% uncertainty in the chemical data can reduce the number of reactants in mole-balance models from seven or more to as few as three, these being cation exchange, dolomite dissolution, and silica precipitation. In another example from the Madison aquifer, inclusion of the charge-balance constraint requires significant increases in the mole transfers of calcite, dolomite, and organic matter, which reduce the estimated maximum carbon 14 age of the sample by about 10,000 years, from 22,700 years to

  13. Use of natural geochemical tracers to improve reservoir simulation models

    Energy Technology Data Exchange (ETDEWEB)

    Huseby, O.; Chatzichristos, C.; Sagen, J.; Muller, J.; Kleven, R.; Bennett, B.; Larter, S.; Stubos, A.K.; Adler, P.M.

    2005-01-01

    This article introduces a methodology for integrating geochemical data in reservoir simulations to improve hydrocarbon reservoir models. The method exploits routine measurements of naturally existing inorganic ion concentration in hydrocarbon reservoir production wells, and uses the ions as non-partitioning water tracers. The methodology is demonstrated on a North Sea field case, using the field's reservoir model, together with geochemical information (SO{sub 4}{sup 2}, Mg{sup 2+} K{sup +}, Ba{sup 2+}, Sr{sup 2+}, Ca{sup 2+}, Cl{sup -} concentrations) from the field's producers. From the data-set we show that some of the ions behave almost as ideal sea-water tracers, i.e. without sorption to the matrix, ion-exchange with the matrix or scale-formation with other ions in the formation water. Moreover, the dataset shows that ion concentrations in pure formation-water vary according to formation. This information can be used to allocate produced water to specific water-producing zones in commingled production. Based on an evaluation of the applicability of the available data, one inorganic component, SO{sub 4}{sup 2}, is used as a natural seawater tracer. Introducing SO{sub 4}{sup 2} as a natural tracer in a tracer simulation has revealed a potential for improvements of the reservoir model. By tracking the injected seawater it was possible to identify underestimated fault lengths in the reservoir model. The demonstration confirms that geochemical data are valuable additional information for reservoir characterization, and shows that integration of geochemical data into reservoir simulation procedures can improve reservoir simulation models. (author)

  14. Adaptive Multiscale Modeling of Geochemical Impacts on Fracture Evolution

    Science.gov (United States)

    Molins, S.; Trebotich, D.; Steefel, C. I.; Deng, H.

    2016-12-01

    Understanding fracture evolution is essential for many subsurface energy applications, including subsurface storage, shale gas production, fracking, CO2 sequestration, and geothermal energy extraction. Geochemical processes in particular play a significant role in the evolution of fractures through dissolution-driven widening, fines migration, and/or fracture sealing due to precipitation. One obstacle to understanding and exploiting geochemical fracture evolution is that it is a multiscale process. However, current geochemical modeling of fractures cannot capture this multi-scale nature of geochemical and mechanical impacts on fracture evolution, and is limited to either a continuum or pore-scale representation. Conventional continuum-scale models treat fractures as preferential flow paths, with their permeability evolving as a function (often, a cubic law) of the fracture aperture. This approach has the limitation that it oversimplifies flow within the fracture in its omission of pore scale effects while also assuming well-mixed conditions. More recently, pore-scale models along with advanced characterization techniques have allowed for accurate simulations of flow and reactive transport within the pore space (Molins et al., 2014, 2015). However, these models, even with high performance computing, are currently limited in their ability to treat tractable domain sizes (Steefel et al., 2013). Thus, there is a critical need to develop an adaptive modeling capability that can account for separate properties and processes, emergent and otherwise, in the fracture and the rock matrix at different spatial scales. Here we present an adaptive modeling capability that treats geochemical impacts on fracture evolution within a single multiscale framework. Model development makes use of the high performance simulation capability, Chombo-Crunch, leveraged by high resolution characterization and experiments. The modeling framework is based on the adaptive capability in Chombo

  15. Consistent Stochastic Modelling of Meteocean Design Parameters

    DEFF Research Database (Denmark)

    Sørensen, John Dalsgaard; Sterndorff, M. J.

    2000-01-01

    Consistent stochastic models of metocean design parameters and their directional dependencies are essential for reliability assessment of offshore structures. In this paper a stochastic model for the annual maximum values of the significant wave height, and the associated wind velocity, current...

  16. Overview of geochemical modeling needs for nuclear waste management

    International Nuclear Information System (INIS)

    Isherwood, D.; Wolery, T.

    1984-01-01

    Research needs include, but are not limited to: measurement of basic thermodynamic data at elevated temperatures for species identified by modelers as potentially important; evaluation of substances which control or limit precipitation and/or nucleation kinetics; sorption studies specifically designed to provide data needed for modeling. This includes the rate of sorption, desorption, and the characterization of the solid and aqueous phases; site-mixing models and thermodynamic data for secondary minerals that form solid solutions; the development of standard techniques for measuring rate laws for precipitation and dissolution kinetics; and measurement of rate laws describing redox kinetics, dissolution, and precipitation involving aqueous species and solid phases of interest to geochemical modelers

  17. Consistent Estimation of Partition Markov Models

    Directory of Open Access Journals (Sweden)

    Jesús E. García

    2017-04-01

    Full Text Available The Partition Markov Model characterizes the process by a partition L of the state space, where the elements in each part of L share the same transition probability to an arbitrary element in the alphabet. This model aims to answer the following questions: what is the minimal number of parameters needed to specify a Markov chain and how to estimate these parameters. In order to answer these questions, we build a consistent strategy for model selection which consist of: giving a size n realization of the process, finding a model within the Partition Markov class, with a minimal number of parts to represent the process law. From the strategy, we derive a measure that establishes a metric in the state space. In addition, we show that if the law of the process is Markovian, then, eventually, when n goes to infinity, L will be retrieved. We show an application to model internet navigation patterns.

  18. Financial model calibration using consistency hints.

    Science.gov (United States)

    Abu-Mostafa, Y S

    2001-01-01

    We introduce a technique for forcing the calibration of a financial model to produce valid parameters. The technique is based on learning from hints. It converts simple curve fitting into genuine calibration, where broad conclusions can be inferred from parameter values. The technique augments the error function of curve fitting with consistency hint error functions based on the Kullback-Leibler distance. We introduce an efficient EM-type optimization algorithm tailored to this technique. We also introduce other consistency hints, and balance their weights using canonical errors. We calibrate the correlated multifactor Vasicek model of interest rates, and apply it successfully to Japanese Yen swaps market and US dollar yield market.

  19. Self-consistent asset pricing models

    Science.gov (United States)

    Malevergne, Y.; Sornette, D.

    2007-08-01

    We discuss the foundations of factor or regression models in the light of the self-consistency condition that the market portfolio (and more generally the risk factors) is (are) constituted of the assets whose returns it is (they are) supposed to explain. As already reported in several articles, self-consistency implies correlations between the return disturbances. As a consequence, the alphas and betas of the factor model are unobservable. Self-consistency leads to renormalized betas with zero effective alphas, which are observable with standard OLS regressions. When the conditions derived from internal consistency are not met, the model is necessarily incomplete, which means that some sources of risk cannot be replicated (or hedged) by a portfolio of stocks traded on the market, even for infinite economies. Analytical derivations and numerical simulations show that, for arbitrary choices of the proxy which are different from the true market portfolio, a modified linear regression holds with a non-zero value αi at the origin between an asset i's return and the proxy's return. Self-consistency also introduces “orthogonality” and “normality” conditions linking the betas, alphas (as well as the residuals) and the weights of the proxy portfolio. Two diagnostics based on these orthogonality and normality conditions are implemented on a basket of 323 assets which have been components of the S&P500 in the period from January 1990 to February 2005. These two diagnostics show interesting departures from dynamical self-consistency starting about 2 years before the end of the Internet bubble. Assuming that the CAPM holds with the self-consistency condition, the OLS method automatically obeys the resulting orthogonality and normality conditions and therefore provides a simple way to self-consistently assess the parameters of the model by using proxy portfolios made only of the assets which are used in the CAPM regressions. Finally, the factor decomposition with the

  20. Consistent biokinetic models for the actinide elements

    International Nuclear Information System (INIS)

    Leggett, R.W.

    2001-01-01

    The biokinetic models for Th, Np, Pu, Am and Cm currently recommended by the International Commission on Radiological Protection (ICRP) were developed within a generic framework that depicts gradual burial of skeletal activity in bone volume, depicts recycling of activity released to blood and links excretion to retention and translocation of activity. For other actinide elements such as Ac, Pa, Bk, Cf and Es, the ICRP still uses simplistic retention models that assign all skeletal activity to bone surface and depicts one-directional flow of activity from blood to long-term depositories to excreta. This mixture of updated and older models in ICRP documents has led to inconsistencies in dose estimates and interpretation of bioassay for radionuclides with reasonably similar biokinetics. This paper proposes new biokinetic models for Ac, Pa, Bk, Cf and Es that are consistent with the updated models for Th, Np, Pu, Am and Cm. The proposed models are developed within the ICRP's generic model framework for bone-surface-seeking radionuclides, and an effort has been made to develop parameter values that are consistent with results of comparative biokinetic data on the different actinide elements. (author)

  1. Thermodynamically consistent model calibration in chemical kinetics

    Directory of Open Access Journals (Sweden)

    Goutsias John

    2011-05-01

    Full Text Available Abstract Background The dynamics of biochemical reaction systems are constrained by the fundamental laws of thermodynamics, which impose well-defined relationships among the reaction rate constants characterizing these systems. Constructing biochemical reaction systems from experimental observations often leads to parameter values that do not satisfy the necessary thermodynamic constraints. This can result in models that are not physically realizable and may lead to inaccurate, or even erroneous, descriptions of cellular function. Results We introduce a thermodynamically consistent model calibration (TCMC method that can be effectively used to provide thermodynamically feasible values for the parameters of an open biochemical reaction system. The proposed method formulates the model calibration problem as a constrained optimization problem that takes thermodynamic constraints (and, if desired, additional non-thermodynamic constraints into account. By calculating thermodynamically feasible values for the kinetic parameters of a well-known model of the EGF/ERK signaling cascade, we demonstrate the qualitative and quantitative significance of imposing thermodynamic constraints on these parameters and the effectiveness of our method for accomplishing this important task. MATLAB software, using the Systems Biology Toolbox 2.1, can be accessed from http://www.cis.jhu.edu/~goutsias/CSS lab/software.html. An SBML file containing the thermodynamically feasible EGF/ERK signaling cascade model can be found in the BioModels database. Conclusions TCMC is a simple and flexible method for obtaining physically plausible values for the kinetic parameters of open biochemical reaction systems. It can be effectively used to recalculate a thermodynamically consistent set of parameter values for existing thermodynamically infeasible biochemical reaction models of cellular function as well as to estimate thermodynamically feasible values for the parameters of new

  2. Toward a consistent model for glass dissolution

    International Nuclear Information System (INIS)

    Strachan, D.M.; McGrail, B.P.; Bourcier, W.L.

    1994-01-01

    Understanding the process of glass dissolution in aqueous media has advanced significantly over the last 10 years through the efforts of many scientists around the world. Mathematical models describing the glass dissolution process have also advanced from simple empirical functions to structured models based on fundamental principles of physics, chemistry, and thermodynamics. Although borosilicate glass has been selected as the waste form for disposal of high-level wastes in at least 5 countries, there is no international consensus on the fundamental methodology for modeling glass dissolution that could be used in assessing the long term performance of waste glasses in a geologic repository setting. Each repository program is developing their own model and supporting experimental data. In this paper, we critically evaluate a selected set of these structured models and show that a consistent methodology for modeling glass dissolution processes is available. We also propose a strategy for a future coordinated effort to obtain the model input parameters that are needed for long-term performance assessments of glass in a geologic repository. (author) 4 figs., tabs., 75 refs

  3. Geochemical modelling of the sorption of tetravalent radioelements

    International Nuclear Information System (INIS)

    Bond, K.A.; Tweed, C.J.

    1991-05-01

    The results of an experimental study of the sorption of a range of tetravalent radioelements, plutonium (IV), tin (IV), thorium(IV) and uranium(IV), onto clay at pH8 and pH11 have been successfully simulated using a triple layer sorption model. The model has been incorporated into HARPHRQ, a geochemical program based on PHREEQE. The model has been parameterised using data for sorption onto ferric oxyhydroxide and goethite. The effects of hydroxycarboxylic acids on the sorption process have also been investigated experimentally. It was generally observed that in the presence of 2x10 -3 M gluconate, sorption was reduced by up two orders of magnitude. The model has satisfactorily simulated these lower sorptivities, through assuming competing sorption and complexation reactions. This work, therefore, further confirms the need to take account of such organic materials in safety assessment modelling. (author)

  4. MODELING MONOMETHYLMERCURY AND TRIBUTYLTIN SPECIATION WITH EPA'S GEOCHEMICAL SPECIATION MODEL MINTEQA2

    Science.gov (United States)

    Given the complexity of the various, simultaneous (and competing) equilibrium reactions governing the speciation of ionic species in aquatic systems, EPA has developed and distributed the geochemical speciation model MINTEQA2 (Brown and Allison, 1987, Allison et al., 1991; Hydrog...

  5. Self-consistent model of confinement

    International Nuclear Information System (INIS)

    Swift, A.R.

    1988-01-01

    A model of the large-spatial-distance, zero--three-momentum, limit of QCD is developed from the hypothesis that there is an infrared singularity. Single quarks and gluons do not propagate because they have infinite energy after renormalization. The Hamiltonian formulation of the path integral is used to quantize QCD with physical, nonpropagating fields. Perturbation theory in the infrared limit is simplified by the absence of self-energy insertions and by the suppression of large classes of diagrams due to vanishing propagators. Remaining terms in the perturbation series are resummed to produce a set of nonlinear, renormalizable integral equations which fix both the confining interaction and the physical propagators. Solutions demonstrate the self-consistency of the concepts of an infrared singularity and nonpropagating fields. The Wilson loop is calculated to provide a general proof of confinement. Bethe-Salpeter equations for quark-antiquark pairs and for two gluons have finite-energy solutions in the color-singlet channel. The choice of gauge is addressed in detail. Large classes of corrections to the model are discussed and shown to support self-consistency

  6. Geochemical isotope compartment model of the nitrogen cycle

    International Nuclear Information System (INIS)

    Weise, G.; Wetzel, K.; Stiehl, G.

    1981-01-01

    A model of the global cycle of nitrogen and its isotopes is described. It takes into account geochemical reservoirs (nitrogen in magmatic metamorphic, and sedimentary rocks and in the atmosphere) and the nitrogen exchange between magmatic rocks and the outer mantle, the transition of nitrogen exchange between sedimentary rocks and the atmosphere. With the aid of the mathematical formalisms of the compartment theory and on the basis of all available delta 11 N values assumptions regarding the isotope effects in forming these nitrogen fluxes data have been obtained on the degree of the nitrogen exchange between the earth crust and the outer mantle and on other nitrogen fluxes characterizing the global nitrogen cycle. (author)

  7. GEMSFITS: Code package for optimization of geochemical model parameters and inverse modeling

    International Nuclear Information System (INIS)

    Miron, George D.; Kulik, Dmitrii A.; Dmytrieva, Svitlana V.; Wagner, Thomas

    2015-01-01

    Highlights: • Tool for generating consistent parameters against various types of experiments. • Handles a large number of experimental data and parameters (is parallelized). • Has a graphical interface and can perform statistical analysis on the parameters. • Tested on fitting the standard state Gibbs free energies of aqueous Al species. • Example on fitting interaction parameters of mixing models and thermobarometry. - Abstract: GEMSFITS is a new code package for fitting internally consistent input parameters of GEM (Gibbs Energy Minimization) geochemical–thermodynamic models against various types of experimental or geochemical data, and for performing inverse modeling tasks. It consists of the gemsfit2 (parameter optimizer) and gfshell2 (graphical user interface) programs both accessing a NoSQL database, all developed with flexibility, generality, efficiency, and user friendliness in mind. The parameter optimizer gemsfit2 includes the GEMS3K chemical speciation solver ( (http://gems.web.psi.ch/GEMS3K)), which features a comprehensive suite of non-ideal activity- and equation-of-state models of solution phases (aqueous electrolyte, gas and fluid mixtures, solid solutions, (ad)sorption. The gemsfit2 code uses the robust open-source NLopt library for parameter fitting, which provides a selection between several nonlinear optimization algorithms (global, local, gradient-based), and supports large-scale parallelization. The gemsfit2 code can also perform comprehensive statistical analysis of the fitted parameters (basic statistics, sensitivity, Monte Carlo confidence intervals), thus supporting the user with powerful tools for evaluating the quality of the fits and the physical significance of the model parameters. The gfshell2 code provides menu-driven setup of optimization options (data selection, properties to fit and their constraints, measured properties to compare with computed counterparts, and statistics). The practical utility, efficiency, and

  8. Developing consistent pronunciation models for phonemic variants

    CSIR Research Space (South Africa)

    Davel, M

    2006-09-01

    Full Text Available Pronunciation lexicons often contain pronunciation variants. This can create two problems: It can be difficult to define these variants in an internally consistent way and it can also be difficult to extract generalised grapheme-to-phoneme rule sets...

  9. Uranium(VI) transport modeling: geochemical data and submodels

    International Nuclear Information System (INIS)

    Tripathi, V.S.

    1984-01-01

    Understanding the geochemical mobility of U(VI) and modeling its transport is important in several contexts including ore genesis, uranium exploration, nuclear and mill-tailings waste management, and solution mining of uranium ores. Adsorption is a major control on partitioning of solutes at the mineral/solution interface. The effect of carbonate, fluoride, and phosphate complexing on adsorption of uranium was investigated. A critical compilation of stability constants of inorganic complexes and solid compounds of U(VI) necessary for proper design of experiment and for modeling transport of uranium was prepared. The general features of U(VI) adsorption in ligand-free systems are similar to those characteristic of other hydrolyzable metal ions. The adsorption processes studied were found to be reversible. The adsorption model developed in ligand-free systems, when solution complexing is taken into account, proved remarkably successful in describing adsorption of uranium in the presence of carbonate and fluoride. The presence of phosphate caused a much smaller decrease in the extent of adsorption than expected; however, a critical reassessment of the stability of UO 2 2+ .HPO 4 2- complexes, showed that phosphato complexes, if any, are extremely weak under experimental conditions. Removal of uranium may have occurred due to precipitation of sodium uranyl phosphates in addition to adsorption

  10. Geochemical controls on shale groundwaters: Results of reaction path modeling

    International Nuclear Information System (INIS)

    Von Damm, K.L.; VandenBrook, A.J.

    1989-03-01

    The EQ3NR/EQ6 geochemical modeling code was used to simulate the reaction of several shale mineralogies with different groundwater compositions in order to elucidate changes that may occur in both the groundwater compositions, and rock mineralogies and compositions under conditions which may be encountered in a high-level radioactive waste repository. Shales with primarily illitic or smectitic compositions were the focus of this study. The reactions were run at the ambient temperatures of the groundwaters and to temperatures as high as 250/degree/C, the approximate temperature maximum expected in a repository. All modeling assumed that equilibrium was achieved and treated the rock and water assemblage as a closed system. Graphite was used as a proxy mineral for organic matter in the shales. The results show that the presence of even a very small amount of reducing mineral has a large influence on the redox state of the groundwaters, and that either pyrite or graphite provides essentially the same results, with slight differences in dissolved C, Fe and S concentrations. The thermodynamic data base is inadequate at the present time to fully evaluate the speciation of dissolved carbon, due to the paucity of thermodynamic data for organic compounds. In the illitic cases the groundwaters resulting from interaction at elevated temperatures are acid, while the smectitic cases remain alkaline, although the final equilibrium mineral assemblages are quite similar. 10 refs., 8 figs., 15 tabs

  11. Consistent Alignment of World Embedding Models

    Science.gov (United States)

    2017-03-02

    propose a solution that aligns variations of the same model (or different models) in a joint low-dimensional la- tent space leveraging carefully...representations of linguistic enti- ties, most often referred to as embeddings. This includes techniques that rely on matrix factoriza- tion (Levy & Goldberg ...higher, the variation is much higher as well. As we increase the size of the neighborhood, or improve the quality of our sample by only picking the most

  12. Self-consistent modelling of ICRH

    International Nuclear Information System (INIS)

    Hellsten, T.; Hedin, J.; Johnson, T.; Laxaaback, M.; Tennfors, E.

    2001-01-01

    The performance of ICRH is often sensitive to the shape of the high energy part of the distribution functions of the resonating species. This requires self-consistent calculations of the distribution functions and the wave-field. In addition to the wave-particle interactions and Coulomb collisions the effects of the finite orbit width and the RF-induced spatial transport are found to be important. The inward drift dominates in general even for a symmetric toroidal wave spectrum in the centre of the plasma. An inward drift does not necessarily produce a more peaked heating profile. On the contrary, for low concentrations of hydrogen minority in deuterium plasmas it can even give rise to broader profiles. (author)

  13. String consistency for unified model building

    International Nuclear Information System (INIS)

    Chaudhuri, S.; Chung, S.W.; Hockney, G.; Lykken, J.

    1995-01-01

    We explore the use of real fermionization as a test case for understanding how specific features of phenomenological interest in the low-energy effective superpotential are realized in exact solutions to heterotic superstring theory. We present pedagogic examples of models which realize SO(10) as a level two current algebra on the world-sheet, and discuss in general how higher level current algebras can be realized in the tensor product of simple constituent conformal field theories. We describe formal developments necessary to compute couplings in models built using real fermionization. This allows us to isolate cases of spin structures where the standard prescription for real fermionization may break down. (orig.)

  14. REPFLO model evaluation, physical and numerical consistency

    International Nuclear Information System (INIS)

    Wilson, R.N.; Holland, D.H.

    1978-11-01

    This report contains a description of some suggested changes and an evaluation of the REPFLO computer code, which models ground-water flow and nuclear-waste migration in and about a nuclear-waste repository. The discussion contained in the main body of the report is supplemented by a flow chart, presented in the Appendix of this report. The suggested changes are of four kinds: (1) technical changes to make the code compatible with a wider variety of digital computer systems; (2) changes to fill gaps in the computer code, due to missing proprietary subroutines; (3) changes to (a) correct programming errors, (b) correct logical flaws, and (c) remove unnecessary complexity; and (4) changes in the computer code logical structure to make REPFLO a more viable model from the physical point of view

  15. Inverse modeling of geochemical and mechanical compaction in sedimentary basins

    Science.gov (United States)

    Colombo, Ivo; Porta, Giovanni Michele; Guadagnini, Alberto

    2015-04-01

    We study key phenomena driving the feedback between sediment compaction processes and fluid flow in stratified sedimentary basins formed through lithification of sand and clay sediments after deposition. Processes we consider are mechanic compaction of the host rock and the geochemical compaction due to quartz cementation in sandstones. Key objectives of our study include (i) the quantification of the influence of the uncertainty of the model input parameters on the model output and (ii) the application of an inverse modeling technique to field scale data. Proper accounting of the feedback between sediment compaction processes and fluid flow in the subsurface is key to quantify a wide set of environmentally and industrially relevant phenomena. These include, e.g., compaction-driven brine and/or saltwater flow at deep locations and its influence on (a) tracer concentrations observed in shallow sediments, (b) build up of fluid overpressure, (c) hydrocarbon generation and migration, (d) subsidence due to groundwater and/or hydrocarbons withdrawal, and (e) formation of ore deposits. Main processes driving the diagenesis of sediments after deposition are mechanical compaction due to overburden and precipitation/dissolution associated with reactive transport. The natural evolution of sedimentary basins is characterized by geological time scales, thus preventing direct and exhaustive measurement of the system dynamical changes. The outputs of compaction models are plagued by uncertainty because of the incomplete knowledge of the models and parameters governing diagenesis. Development of robust methodologies for inverse modeling and parameter estimation under uncertainty is therefore crucial to the quantification of natural compaction phenomena. We employ a numerical methodology based on three building blocks: (i) space-time discretization of the compaction process; (ii) representation of target output variables through a Polynomial Chaos Expansion (PCE); and (iii) model

  16. Geochemical Modeling Of F Area Seepage Basin Composition And Variability

    International Nuclear Information System (INIS)

    Millings, M.; Denham, M.; Looney, B.

    2012-01-01

    From the 1950s through 1989, the F Area Seepage Basins at the Savannah River Site (SRS) received low level radioactive wastes resulting from processing nuclear materials. Discharges of process wastes to the F Area Seepage Basins followed by subsequent mixing processes within the basins and eventual infiltration into the subsurface resulted in contamination of the underlying vadose zone and downgradient groundwater. For simulating contaminant behavior and subsurface transport, a quantitative understanding of the interrelated discharge-mixing-infiltration system along with the resulting chemistry of fluids entering the subsurface is needed. An example of this need emerged as the F Area Seepage Basins was selected as a key case study demonstration site for the Advanced Simulation Capability for Environmental Management (ASCEM) Program. This modeling evaluation explored the importance of the wide variability in bulk wastewater chemistry as it propagated through the basins. The results are intended to generally improve and refine the conceptualization of infiltration of chemical wastes from seepage basins receiving variable waste streams and to specifically support the ASCEM case study model for the F Area Seepage Basins. Specific goals of this work included: (1) develop a technically-based 'charge-balanced' nominal source term chemistry for water infiltrating into the subsurface during basin operations, (2) estimate the nature of short term and long term variability in infiltrating water to support scenario development for uncertainty quantification (i.e., UQ analysis), (3) identify key geochemical factors that control overall basin water chemistry and the projected variability/stability, and (4) link wastewater chemistry to the subsurface based on monitoring well data. Results from this study provide data and understanding that can be used in further modeling efforts of the F Area groundwater plume. As identified in this study, key geochemical factors affecting basin

  17. Consistency test of the standard model

    International Nuclear Information System (INIS)

    Pawlowski, M.; Raczka, R.

    1997-01-01

    If the 'Higgs mass' is not the physical mass of a real particle but rather an effective ultraviolet cutoff then a process energy dependence of this cutoff must be admitted. Precision data from at least two energy scale experimental points are necessary to test this hypothesis. The first set of precision data is provided by the Z-boson peak experiments. We argue that the second set can be given by 10-20 GeV e + e - colliders. We pay attention to the special role of tau polarization experiments that can be sensitive to the 'Higgs mass' for a sample of ∼ 10 8 produced tau pairs. We argue that such a study may be regarded as a negative selfconsistency test of the Standard Model and of most of its extensions

  18. Experimental study and numerical modelling of geochemical reactions occurring during uranium in situ recovery (ISR) mining

    International Nuclear Information System (INIS)

    Ben Simon, R.

    2011-09-01

    The in situ Recovery (ISR) method consists of ore mining by in situ chemical leaching with acid or alkaline solutions. ISR takes place underground and is therefore limited to the analysis of the pumped solutions, hence ISR mine management is still empirical. Numerical modelling has been considered to achieve more efficient management of this process. Three different phenomena have to be taken into account for numerical simulations of uranium ISR mining: (1) geochemical reactions; (2) the kinetics of these reactions, and (3) hydrodynamic transport with respect to the reaction kinetics. Leaching tests have been conducted on ore samples from an uranium mine in Tortkuduk (Kazakhstan) where ISR is conducted by acid leaching. Two types of leaching experiments were performed: (1) tests in batch reactors; and (2) extraction in flow through columns. The assumptions deduced from the leaching tests were tested and validated by modelling the laboratory experiments with the numerical codes CHESS and HYTEC, both developed at the Geosciences research center of Mines ParisTech. A well-constrained 1D hydrogeochemical transport model of the ISR process at laboratory-scale was proposed. It enables to translate the chemical release sequence that is observed during experiments into a geochemical reaction sequence. It was possible to highlight the controlling factors of uranium dissolution, and the precipitation of secondary mineral phase in the deposit, as well as the determination of the relative importance of these factors. (author)

  19. Geochemical modelling of Na-SO4 type groundwater at Palmottu using a mass balance approach

    International Nuclear Information System (INIS)

    Pitkaenen, P.

    1993-01-01

    The mass balance chemical modelling technique has been applied to the groundwaters at the Palmottu analogue study site (in southwestern Finland) for radioactive waste disposal. The geochemical modelling concentrates on the evolution of Na-SO 4 type groundwater, which is spatially connected to the uranium mineralization. The results calculated along an assumed flow path are consistent with available field data and thermodynamic constraints. The results show that essential production of sulphides is unrealistic in the prevailing conditions. The increasing concentrations of Na, SO 4 and Cl along the evolution trend seem to have the same source and they could originate mainly from the leakage of fluid inclusions. Some mixing of relict sea water is also possible

  20. Mineral Precipitation in Fractures: Multiscale Imaging and Geochemical Modeling

    Science.gov (United States)

    Hajirezaie, S.; Peters, C. A.; Swift, A.; Sheets, J. M.; Cole, D. R.; Crandall, D.; Cheshire, M.; Stack, A. G.; Anovitz, L. M.

    2017-12-01

    For subsurface energy technologies such as geologic carbon sequestration, fractures are potential pathways for fluid migration from target formations. Highly permeable fractures may become sealed by mineral precipitation. In this study, we examined shale specimens with existing cemented fractures as natural analogues, using an array of imaging methods to characterize mineralogy and porosity at several spatial scales. In addition, we used reactive transport modeling to investigate geochemical conditions that can lead to extensive mineral precipitation and to simulate the impacts on fracture hydraulic properties. The naturally-cemented fractured rock specimens were from the Upper Wolfcamp formation in Texas, at 10,000 ft depth. The specimens were scanned using x-ray computed tomography (xCT) at resolution of 13 microns. The xCT images revealed an original fracture aperture of 1.9 mm filled with several distinct mineral phases and vuggy void regions, and the mineral phase volumes and surface areas were quantified and mapped in 3D. Specimens were thin-sectioned and examined at micron- and submicron-scales using petrographic microscopy (PM), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), and small angle X-ray scattering (SAXS). Collectively these methods revealed crystals of dolomite as large as 900 microns in length overlain with a heterogeneous mixture of carbonate minerals including calcite, dolomite, and Fe-rich dolomite, interspersed at spatial scales as small as 5 microns. In addition, secondary precipitation of SiO2 was found to fill some of the void space. This multiscale imaging was used to inform the reactive transport modeling employed to examine the conditions that can cause the observed mineral precipitation in fractures at a larger scale. Two brines containing solutions that when mixed would lead to precipitation of various carbonate minerals were simulated as injectants into a fracture domain. In particular, the competing

  1. Risk evaluation of uranium mining: A geochemical inverse modelling approach

    Science.gov (United States)

    Rillard, J.; Zuddas, P.; Scislewski, A.

    2011-12-01

    It is well known that uranium extraction operations can increase risks linked to radiation exposure. The toxicity of uranium and associated heavy metals is the main environmental concern regarding exploitation and processing of U-ore. In areas where U mining is planned, a careful assessment of toxic and radioactive element concentrations is recommended before the start of mining activities. A background evaluation of harmful elements is important in order to prevent and/or quantify future water contamination resulting from possible migration of toxic metals coming from ore and waste water interaction. Controlled leaching experiments were carried out to investigate processes of ore and waste (leached ore) degradation, using samples from the uranium exploitation site located in Caetité-Bahia, Brazil. In experiments in which the reaction of waste with water was tested, we found that the water had low pH and high levels of sulphates and aluminium. On the other hand, in experiments in which ore was tested, the water had a chemical composition comparable to natural water found in the region of Caetité. On the basis of our experiments, we suggest that waste resulting from sulphuric acid treatment can induce acidification and salinization of surface and ground water. For this reason proper storage of waste is imperative. As a tool to evaluate the risks, a geochemical inverse modelling approach was developed to estimate the water-mineral interaction involving the presence of toxic elements. We used a method earlier described by Scislewski and Zuddas 2010 (Geochim. Cosmochim. Acta 74, 6996-7007) in which the reactive surface area of mineral dissolution can be estimated. We found that the reactive surface area of rock parent minerals is not constant during time but varies according to several orders of magnitude in only two months of interaction. We propose that parent mineral heterogeneity and particularly, neogenic phase formation may explain the observed variation of the

  2. Improved Geothermometry Through Multivariate Reaction-path Modeling and Evaluation of Geomicrobiological Influences on Geochemical Temperature Indicators: Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Mattson, Earl [Idaho National Lab. (INL), Idaho Falls, ID (United States); Smith, Robert [Idaho National Lab. (INL), Idaho Falls, ID (United States); Fujita, Yoshiko [Idaho National Lab. (INL), Idaho Falls, ID (United States); McLing, Travis [Idaho National Lab. (INL), Idaho Falls, ID (United States); Neupane, Ghanashyam [Idaho National Lab. (INL), Idaho Falls, ID (United States); Palmer, Carl [Idaho National Lab. (INL), Idaho Falls, ID (United States); Reed, David [Idaho National Lab. (INL), Idaho Falls, ID (United States); Thompson, Vicki [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-03-01

    The project was aimed at demonstrating that the geothermometric predictions can be improved through the application of multi-element reaction path modeling that accounts for lithologic and tectonic settings, while also accounting for biological influences on geochemical temperature indicators. The limited utilization of chemical signatures by individual traditional geothermometer in the development of reservoir temperature estimates may have been constraining their reliability for evaluation of potential geothermal resources. This project, however, was intended to build a geothermometry tool which can integrate multi-component reaction path modeling with process-optimization capability that can be applied to dilute, low-temperature water samples to consistently predict reservoir temperature within ±30 °C. The project was also intended to evaluate the extent to which microbiological processes can modulate the geochemical signals in some thermal waters and influence the geothermometric predictions.

  3. Thermo-hydro-geochemical modelling of the bentonite buffer. LOT A2 experiment

    Energy Technology Data Exchange (ETDEWEB)

    Sena, Clara; Salas, Joaquin; Arcos, David (Amphos 21 Consulting S.L., Barcelona (Spain))

    2010-12-15

    The Swedish Nuclear Fuel and waste management company (SKB) is conducting a series of long term buffer material (LOT) tests at the Aespoe Hard Rock Laboratory (HRL) to test the behaviour of the bentonite buffer under conditions similar to those expected in a KBS-3 deep geological repository for high level nuclear waste (HLNW). In the present work a numerical model is developed to simulate (i) the thermo-hydraulic, (ii) transport and (iii) geochemical processes that have been observed in the LOT A2 test parcel. The LOT A2 test lasted approximately 6 years, and consists of a 4 m long vertical borehole drilled in diorite rock, from the ground of the Aespoe HRL tunnel. The borehole is composed of a central heater, maintained at 130 deg C in the lower 2 m of the borehole, a copper tube surrounding the heater and a 100 mm thick ring of pre-compacted Wyoming MX-80 bentonite around the copper tube /Karnland et al. 2009/. The numerical model developed here is a 1D axis-symmetric model that simulates the water saturation of the bentonite under a constant thermal gradient; the transport of solutes; and, the geochemical reactions observed in the bentonite blocks. Two cases have been modelled, one considering the highest temperature reached by the bentonite (at 3 m depth in the borehole, where temperatures of 130 and 85 deg C have been recorded near the copper tube and near the granitic host rock, respectively) and the other case assuming a constant temperature of 25 deg C, representing the upper part of borehole, where the bentonite has not been heated. In the LOT A2 test, the initial partially saturated bentonite becomes progressively water saturated, due to the injection of Aespoe granitic groundwater at granite - bentonite interface. The transport of solutes during the bentonite water saturation stage is believed to be controlled by water uptake from the surrounding groundwater to the wetting front and, additionally, in the case of heated bentonite, by a cyclic evaporation

  4. Thermo-hydro-geochemical modelling of the bentonite buffer. LOT A2 experiment

    International Nuclear Information System (INIS)

    Sena, Clara; Salas, Joaquin; Arcos, David

    2010-12-01

    The Swedish Nuclear Fuel and waste management company (SKB) is conducting a series of long term buffer material (LOT) tests at the Aespoe Hard Rock Laboratory (HRL) to test the behaviour of the bentonite buffer under conditions similar to those expected in a KBS-3 deep geological repository for high level nuclear waste (HLNW). In the present work a numerical model is developed to simulate (i) the thermo-hydraulic, (ii) transport and (iii) geochemical processes that have been observed in the LOT A2 test parcel. The LOT A2 test lasted approximately 6 years, and consists of a 4 m long vertical borehole drilled in diorite rock, from the ground of the Aespoe HRL tunnel. The borehole is composed of a central heater, maintained at 130 deg C in the lower 2 m of the borehole, a copper tube surrounding the heater and a 100 mm thick ring of pre-compacted Wyoming MX-80 bentonite around the copper tube /Karnland et al. 2009/. The numerical model developed here is a 1D axis-symmetric model that simulates the water saturation of the bentonite under a constant thermal gradient; the transport of solutes; and, the geochemical reactions observed in the bentonite blocks. Two cases have been modelled, one considering the highest temperature reached by the bentonite (at 3 m depth in the borehole, where temperatures of 130 and 85 deg C have been recorded near the copper tube and near the granitic host rock, respectively) and the other case assuming a constant temperature of 25 deg C, representing the upper part of borehole, where the bentonite has not been heated. In the LOT A2 test, the initial partially saturated bentonite becomes progressively water saturated, due to the injection of Aespoe granitic groundwater at granite - bentonite interface. The transport of solutes during the bentonite water saturation stage is believed to be controlled by water uptake from the surrounding groundwater to the wetting front and, additionally, in the case of heated bentonite, by a cyclic evaporation

  5. Basic concepts and formulations for isotope geochemical modelling of groundwater systems

    International Nuclear Information System (INIS)

    Kalin, R.M.

    1996-01-01

    This chapter describes the basic chemical principles and methodologies for geochemical models and their use in the field of isotope hydrology. Examples of calculation procedures are given on actual field data. Summary information on available PC software for geochemical modeling is included. The specific software, NETPATH, which can be used for chemical speciation, mass balance and isotope balance along a flow path in groundwater systems, is discussed at some length with an illustrative example of its application to field data. (author). Refs, 14 figs, 15 tabs

  6. Basic concepts and formulations for isotope geochemical modelling of groundwater systems

    Energy Technology Data Exchange (ETDEWEB)

    Kalin, R M [The Queen` s University, Belfast, Northern Ireland (United Kingdom). Dept. of Civil Engineering

    1996-10-01

    This chapter describes the basic chemical principles and methodologies for geochemical models and their use in the field of isotope hydrology. Examples of calculation procedures are given on actual field data. Summary information on available PC software for geochemical modeling is included. The specific software, NETPATH, which can be used for chemical speciation, mass balance and isotope balance along a flow path in groundwater systems, is discussed at some length with an illustrative example of its application to field data. (author). Refs, 14 figs, 15 tabs.

  7. Modeling ion exchange in clinoptilolite using the EQ3/6 geochemical modeling code

    International Nuclear Information System (INIS)

    Viani, B.E.; Bruton, C.J.

    1992-06-01

    Assessing the suitability of Yucca Mtn., NV as a potential repository for high-level nuclear waste requires the means to simulate ion-exchange behavior of zeolites. Vanselow and Gapon convention cation-exchange models have been added to geochemical modeling codes EQ3NR/EQ6, allowing exchange to be modeled for up to three exchangers or a single exchanger with three independent sites. Solid-solution models that are numerically equivalent to the ion-exchange models were derived and also implemented in the code. The Gapon model is inconsistent with experimental adsorption isotherms of trace components in clinoptilolite. A one-site Vanselow model can describe adsorption of Cs or Sr on clinoptilolite, but a two-site Vanselow exchange model is necessary to describe K contents of natural clinoptilolites

  8. Delineation of geochemical anomalies based on stream sediment data utilizing fractal modeling and staged factor analysis

    Science.gov (United States)

    Afzal, Peyman; Mirzaei, Misagh; Yousefi, Mahyar; Adib, Ahmad; Khalajmasoumi, Masoumeh; Zarifi, Afshar Zia; Foster, Patrick; Yasrebi, Amir Bijan

    2016-07-01

    Recognition of significant geochemical signatures and separation of geochemical anomalies from background are critical issues in interpretation of stream sediment data to define exploration targets. In this paper, we used staged factor analysis in conjunction with the concentration-number (C-N) fractal model to generate exploration targets for prospecting Cr and Fe mineralization in Balvard area, SE Iran. The results show coexistence of derived multi-element geochemical signatures of the deposit-type sought and ultramafic-mafic rocks in the NE and northern parts of the study area indicating significant chromite and iron ore prospects. In this regard, application of staged factor analysis and fractal modeling resulted in recognition of significant multi-element signatures that have a high spatial association with host lithological units of the deposit-type sought, and therefore, the generated targets are reliable for further prospecting of the deposit in the study area.

  9. Hydrologic-geochemical modeling needs for nuclear waste disposal systems performance assessments from the NEA perspective

    International Nuclear Information System (INIS)

    Muller, A.B.

    1986-01-01

    Credible scenarios for releases from high level nuclear waste repositories require radionuclides to be mobilized and transported by ground water. The capability to predict ground water flow velocities and directions as well as radionuclide concentrations in the flow system as a function of time are essential for assessing the performance of disposal systems. The first of these parameters can be estimated by hydrologic modeling while the concentrations can be predicted by geochemical modeling. The complementary use of empirical and phenomenological approaches to the geochemical modeling, when effectively coupled with hydrologic models can provide the tools needed for realistic performance assessment. An overview of the activities of the NEA in this area, with emphasis on the geochemical data bases (ISIRS for Ksub(d) data and the thermochemical data base critical review), rock/water interaction modeling (code development and short-courses), and hydrologic-geochemical code coupling (workshop and in-house activities) is presented in this paper from the perspective of probabilistic risk assessment needs. (author)

  10. Geochemical modelling of hydrogen gas migration in an unsaturated bentonite buffer

    NARCIS (Netherlands)

    Sedighi, M.; Thomas, H.R.; Al Masum, S.; Vardon, P.J.; Nicholson, D.; Chen, Q.

    2014-01-01

    This paper presents an investigation of the transport and fate of hydrogen gas through compacted bentonite buffer. Various geochemical reactions that may occur in the multiphase and multicomponent system of the unsaturated bentonite buffer are considered. A reactive gas transport model, developed

  11. Research needs for coupling geochemical and flow models for nuclear waste isolation

    International Nuclear Information System (INIS)

    Pearson, F.J. Jr.

    1985-01-01

    An overview of coupling geochemical and flow models for nuclear waste disposal is presented and research needs are discussed. Topics considered include, chemical effects on flow, fluid and rock properties, pressure effects, water-rock equilibria, and reaction kinetics. 25 references

  12. Adsorption of phosphate from municipal effluents using cryptocrystalline magnesite: complementing laboratory results with geochemical modelling

    CSIR Research Space (South Africa)

    Masindi, Vhahangwele

    2015-11-01

    Full Text Available chemisorption. Adsorption isotherms fitted well to Langmuir adsorption isotherm than Freundlich adsorption isotherms, demonstrating monolayer adsorption. PHREEQC geochemical model showed Mg(sub3)(PO(sub4))(sub2) and MgHPO(sub4):3H(sub2)O as the phosphatebearing...

  13. Geochemical modeling of the nuclear-waste repository system. A status report

    International Nuclear Information System (INIS)

    Deutsch, W.J.

    1980-12-01

    The primary objective of the geochemical modeling task is to develop an understanding of the waste-repository geochemical system and provide a valuable tool for estimating future states of that system. There currently exists a variety of computer codes which can be used in geochemical modeling studies. Some available codes contain the framework for simulating a natural chemical system and estimating, within limits, the response of that system to environmental changes. By data-base enhancement and code development, this modeling technique can be even more usefully applied to a nuclear-waste repository. In particular, thermodynamic data on elements not presently in the data base but identified as being of particular hazard in the waste-repository system, need to be incorporated into the code to estimate the near-field as well as the far-field reactions during a hypothetical breach. A reaction-path-simulation code, which estimates the products of specific rock/water reactions, has been tested using basalt and ground water. Results show that the mass-transfer capabilities of the code will be useful in chemical-evolution studies and scenario analyses. The purpose of this report is to explain the status of geochemical modeling as it currently applies to the chemical system of a hypothetical nuclear-waste repository in basalt and to present the plan proposed for further developmet and application

  14. High-performance speech recognition using consistency modeling

    Science.gov (United States)

    Digalakis, Vassilios; Murveit, Hy; Monaco, Peter; Neumeyer, Leo; Sankar, Ananth

    1994-12-01

    The goal of SRI's consistency modeling project is to improve the raw acoustic modeling component of SRI's DECIPHER speech recognition system and develop consistency modeling technology. Consistency modeling aims to reduce the number of improper independence assumptions used in traditional speech recognition algorithms so that the resulting speech recognition hypotheses are more self-consistent and, therefore, more accurate. At the initial stages of this effort, SRI focused on developing the appropriate base technologies for consistency modeling. We first developed the Progressive Search technology that allowed us to perform large-vocabulary continuous speech recognition (LVCSR) experiments. Since its conception and development at SRI, this technique has been adopted by most laboratories, including other ARPA contracting sites, doing research on LVSR. Another goal of the consistency modeling project is to attack difficult modeling problems, when there is a mismatch between the training and testing phases. Such mismatches may include outlier speakers, different microphones and additive noise. We were able to either develop new, or transfer and evaluate existing, technologies that adapted our baseline genonic HMM recognizer to such difficult conditions.

  15. Interaction between shallow and deep aquifers in the Tivoli Plain (Central Italy) enhanced by groundwater extraction: A multi-isotope approach and geochemical modeling

    International Nuclear Information System (INIS)

    Carucci, Valentina; Petitta, Marco; Aravena, Ramon

    2012-01-01

    In the Tivoli Plain (Rome, Central Italy) the interaction between shallow and deep groundwater flow systems enhanced by groundwater extraction has been investigated using isotopic and chemical tracers. A conceptual model of the groundwater flowpaths has been developed and verified by geochemical modeling. A combined hydrogeochemical and isotopic investigation using ion relationships such as DIC/Cl − , Ca/(Ca + Mg)/SO 4 /(SO 4 + HCO 3 ), and environmental isotopes (δ 18 O, δ 2 H, 87 Sr/ 86 Sr, δ 34 S and δ 13 C) was carried out in order to determine the sources of recharge of the aquifer, the origin of solutes and the mixing processes in groundwater of Tivoli Plain. Multivariate statistical methods such as principal component analysis and Cluster analyses have confirmed the existence of different geochemical facies and the role of mixing in the chemical composition of the groundwater. Results indicate that the hydrochemistry of groundwater is characterized by mixing between end-members coming directly from carbonate recharge areas and to groundwater circulating in a deeply buried Meso-Cenozoic carbonate sequence. The travertine aquifer is fed by both flow systems, but a local contribution by direct input in the Plain has also been recognized. The stable isotope data ( 18 O, 2 H, 13 C and 34 S) supports the flow system conceptual model inferred from the geochemical data and represents key data to quantify the geochemical mixing in the different groundwaters of the Plain. The results of numerical modeling (PHREEQC) are consistent with the flowpaths derived from the hydrogeochemical conceptual model. The inverse models performed generated the main geochemical processes occurring in the groundwater flow system, which also included mixing. Geochemical and isotope modeling demonstrate an increasing influence of groundwater from the deeply buried aquifer in the travertine aquifer, enhanced by lowering of the travertine aquifer water table due to quarry pumping.

  16. A Geochemical Reaction Model for Titration of Contaminated Soil and Groundwater at the Oak Ridge Reservation

    Science.gov (United States)

    Zhang, F.; Parker, J. C.; Gu, B.; Luo, W.; Brooks, S. C.; Spalding, B. P.; Jardine, P. M.; Watson, D. B.

    2007-12-01

    This study investigates geochemical reactions during titration of contaminated soil and groundwater at the Oak Ridge Reservation in eastern Tennessee. The soils and groundwater exhibits low pH and high concentrations of aluminum, calcium, magnesium, manganese, various trace metals such as nickel and cobalt, and radionuclides such as uranium and technetium. The mobility of many of the contaminant species diminishes with increasing pH. However, base additions to increase pH are strongly buffered by various precipitation/dissolution and adsorption/desorption reactions. The ability to predict acid-base behavior and associated geochemical effects is thus critical to evaluate remediation performance of pH manipulation strategies. This study was undertaken to develop a practical but generally applicable geochemical model to predict aqueous and solid-phase speciation during soil and groundwater titration. To model titration in the presence of aquifer solids, an approach proposed by Spalding and Spalding (2001) was utilized, which treats aquifer solids as a polyprotic acid. Previous studies have shown that Fe and Al-oxyhydroxides strongly sorb dissolved Ni, U and Tc species. In this study, since the total Fe concentration is much smaller than that of Al, only ion exchange reactions associated with Al hydroxides are considered. An equilibrium reaction model that includes aqueous complexation, precipitation, ion exchange, and soil buffering reactions was developed and implemented in the code HydroGeoChem 5.0 (HGC5). Comparison of model results with experimental titration curves for contaminated groundwater alone and for soil- water systems indicated close agreement. This study is expected to facilitate field-scale modeling of geochemical processes under conditions with highly variable pH to develop practical methods to control contaminant mobility at geochemically complex sites.

  17. Experimental Investigation and Simplistic Geochemical Modeling of CO2 Mineral Carbonation Using the Mount Tawai Peridotite

    Directory of Open Access Journals (Sweden)

    Omeid Rahmani

    2016-03-01

    Full Text Available In this work, the potential of CO2 mineral carbonation of brucite (Mg(OH2 derived from the Mount Tawai peridotite (forsterite based (Mg2SiO4 to produce thermodynamically stable magnesium carbonate (MgCO3 was evaluated. The effect of three main factors (reaction temperature, particle size, and water vapor were investigated in a sequence of experiments consisting of aqueous acid leaching, evaporation to dryness of the slurry mass, and then gas-solid carbonation under pressurized CO2. The maximum amount of Mg converted to MgCO3 is ~99%, which occurred at temperatures between 150 and 175 °C. It was also found that the reduction of particle size range from >200 to <75 µm enhanced the leaching rate significantly. In addition, the results showed the essential role of water vapor in promoting effective carbonation. By increasing water vapor concentration from 5 to 10 vol %, the mineral carbonation rate increased by 30%. This work has also numerically modeled the process by which CO2 gas may be sequestered, by reaction with forsterite in the presence of moisture. In both experimental analysis and geochemical modeling, the results showed that the reaction is favored and of high yield; going almost to completion (within about one year with the bulk of the carbon partitioning into magnesite and that very little remains in solution.

  18. Geochemical modelling of CO2-water-rock interactions for carbon storage : data requirements and outputs

    International Nuclear Information System (INIS)

    Kirste, D.

    2008-01-01

    A geochemical model was used to predict the short-term and long-term behaviour of carbon dioxide (CO 2 ), formation water, and reservoir mineralogy at a carbon sequestration site. Data requirements for the geochemical model included detailed mineral petrography; formation water chemistry; thermodynamic and kinetic data for mineral phases; and rock and reservoir physical characteristics. The model was used to determine the types of outputs expected for potential CO 2 storage sites and natural analogues. Reaction path modelling was conducted to determine the total reactivity or CO 2 storage capability of the rock by applying static equilibrium and kinetic simulations. Potential product phases were identified using the modelling technique, which also enabled the identification of the chemical evolution of the system. Results of the modelling study demonstrated that changes in porosity and permeability over time should be considered during the site selection process.

  19. Quantification of source-term profiles from near-field geochemical models

    International Nuclear Information System (INIS)

    McKinley, I.G.

    1985-01-01

    A geochemical model of the near-field is described which quantitatively treats the processes of engineered barrier degradation, buffering of aqueous chemistry by solid phases, nuclide solubilization and transport through the near-field and release to the far-field. The radionuclide source-terms derived from this model are compared with those from a simpler model used for repository safety analysis. 10 refs., 2 figs., 2 tabs

  20. Standard Model Vacuum Stability and Weyl Consistency Conditions

    DEFF Research Database (Denmark)

    Antipin, Oleg; Gillioz, Marc; Krog, Jens

    2013-01-01

    At high energy the standard model possesses conformal symmetry at the classical level. This is reflected at the quantum level by relations between the different beta functions of the model. These relations are known as the Weyl consistency conditions. We show that it is possible to satisfy them...... order by order in perturbation theory, provided that a suitable coupling constant counting scheme is used. As a direct phenomenological application, we study the stability of the standard model vacuum at high energies and compare with previous computations violating the Weyl consistency conditions....

  1. Consistency and Reconciliation Model In Regional Development Planning

    Directory of Open Access Journals (Sweden)

    Dina Suryawati

    2016-10-01

    Full Text Available The aim of this study was to identify the problems and determine the conceptual model of regional development planning. Regional development planning is a systemic, complex and unstructured process. Therefore, this study used soft systems methodology to outline unstructured issues with a structured approach. The conceptual models that were successfully constructed in this study are a model of consistency and a model of reconciliation. Regional development planning is a process that is well-integrated with central planning and inter-regional planning documents. Integration and consistency of regional planning documents are very important in order to achieve the development goals that have been set. On the other hand, the process of development planning in the region involves technocratic system, that is, both top-down and bottom-up system of participation. Both must be balanced, do not overlap and do not dominate each other. regional, development, planning, consistency, reconciliation

  2. Field-based tests of geochemical modeling codes: New Zealand hydrothermal systems

    International Nuclear Information System (INIS)

    Bruton, C.J.; Glassley, W.E.; Bourcier, W.L.

    1993-12-01

    Hydrothermal systems in the Taupo Volcanic Zone, North Island, New Zealand are being used as field-based modeling exercises for the EQ3/6 geochemical modeling code package. Comparisons of the observed state and evolution of the hydrothermal systems with predictions of fluid-solid equilibria made using geochemical modeling codes will determine how the codes can be used to predict the chemical and mineralogical response of the environment to nuclear waste emplacement. Field-based exercises allow us to test the models on time scales unattainable in the laboratory. Preliminary predictions of mineral assemblages in equilibrium with fluids sampled from wells in the Wairakei and Kawerau geothermal field suggest that affinity-temperature diagrams must be used in conjunction with EQ6 to minimize the effect of uncertainties in thermodynamic and kinetic data on code predictions

  3. Field-based tests of geochemical modeling codes usign New Zealand hydrothermal systems

    International Nuclear Information System (INIS)

    Bruton, C.J.; Glassley, W.E.; Bourcier, W.L.

    1994-06-01

    Hydrothermal systems in the Taupo Volcanic Zone, North Island, New Zealand are being used as field-based modeling exercises for the EQ3/6 geochemical modeling code package. Comparisons of the observed state and evolution of the hydrothermal systems with predictions of fluid-solid equilibria made using geochemical modeling codes will determine how the codes can be used to predict the chemical and mineralogical response of the environment to nuclear waste emplacement. Field-based exercises allow us to test the models on time scales unattainable in the laboratory. Preliminary predictions of mineral assemblages in equilibrium with fluids sampled from wells in the Wairakei and Kawerau geothermal field suggest that affinity-temperature diagrams must be used in conjunction with EQ6 to minimize the effect of uncertainties in thermodynamic and kinetic data on code predictions

  4. Modeling a Consistent Behavior of PLC-Sensors

    Directory of Open Access Journals (Sweden)

    E. V. Kuzmin

    2014-01-01

    Full Text Available The article extends the cycle of papers dedicated to programming and verificatoin of PLC-programs by LTL-specification. This approach provides the availability of correctness analysis of PLC-programs by the model checking method.The model checking method needs to construct a finite model of a PLC program. For successful verification of required properties it is important to take into consideration that not all combinations of input signals from the sensors can occur while PLC works with a control object. This fact requires more advertence to the construction of the PLC-program model.In this paper we propose to describe a consistent behavior of sensors by three groups of LTL-formulas. They will affect the program model, approximating it to the actual behavior of the PLC program. The idea of LTL-requirements is shown by an example.A PLC program is a description of reactions on input signals from sensors, switches and buttons. In constructing a PLC-program model, the approach to modeling a consistent behavior of PLC sensors allows to focus on modeling precisely these reactions without an extension of the program model by additional structures for realization of a realistic behavior of sensors. The consistent behavior of sensors is taken into account only at the stage of checking a conformity of the programming model to required properties, i. e. a property satisfaction proof for the constructed model occurs with the condition that the model contains only such executions of the program that comply with the consistent behavior of sensors.

  5. Development of thermodynamic databases and geochemical/transport models for prediction of long-term radionuclide migration (Germany)

    International Nuclear Information System (INIS)

    Kienzler, B.

    2000-01-01

    The isolation capacity of a repository system for radionuclides is described by geochemical modeling. The models for interpretation of experimental findings and for long-term extrapolation of experimental results are based on thermodynamic approaches. The geochemical models include dissolution reactions of waste forms, the evolution of the geochemical milieu, interactions of radionuclides with constituents of the groundwater (brines) and the precipitation of new solid phases. Reliable thermodynamic data, understanding of radionuclide complexation in aqueous multi-electrolyte solutions at the relevant ionic strength and knowledge on the formation of pure and mixed solids and on sorption processes are urgently needed for such model calculations. (author)

  6. Diagnosing a Strong-Fault Model by Conflict and Consistency.

    Science.gov (United States)

    Zhang, Wenfeng; Zhao, Qi; Zhao, Hongbo; Zhou, Gan; Feng, Wenquan

    2018-03-29

    The diagnosis method for a weak-fault model with only normal behaviors of each component has evolved over decades. However, many systems now demand a strong-fault models, the fault modes of which have specific behaviors as well. It is difficult to diagnose a strong-fault model due to its non-monotonicity. Currently, diagnosis methods usually employ conflicts to isolate possible fault and the process can be expedited when some observed output is consistent with the model's prediction where the consistency indicates probably normal components. This paper solves the problem of efficiently diagnosing a strong-fault model by proposing a novel Logic-based Truth Maintenance System (LTMS) with two search approaches based on conflict and consistency. At the beginning, the original a strong-fault model is encoded by Boolean variables and converted into Conjunctive Normal Form (CNF). Then the proposed LTMS is employed to reason over CNF and find multiple minimal conflicts and maximal consistencies when there exists fault. The search approaches offer the best candidate efficiency based on the reasoning result until the diagnosis results are obtained. The completeness, coverage, correctness and complexity of the proposals are analyzed theoretically to show their strength and weakness. Finally, the proposed approaches are demonstrated by applying them to a real-world domain-the heat control unit of a spacecraft-where the proposed methods are significantly better than best first and conflict directly with A* search methods.

  7. Consistent Partial Least Squares Path Modeling via Regularization.

    Science.gov (United States)

    Jung, Sunho; Park, JaeHong

    2018-01-01

    Partial least squares (PLS) path modeling is a component-based structural equation modeling that has been adopted in social and psychological research due to its data-analytic capability and flexibility. A recent methodological advance is consistent PLS (PLSc), designed to produce consistent estimates of path coefficients in structural models involving common factors. In practice, however, PLSc may frequently encounter multicollinearity in part because it takes a strategy of estimating path coefficients based on consistent correlations among independent latent variables. PLSc has yet no remedy for this multicollinearity problem, which can cause loss of statistical power and accuracy in parameter estimation. Thus, a ridge type of regularization is incorporated into PLSc, creating a new technique called regularized PLSc. A comprehensive simulation study is conducted to evaluate the performance of regularized PLSc as compared to its non-regularized counterpart in terms of power and accuracy. The results show that our regularized PLSc is recommended for use when serious multicollinearity is present.

  8. Coupling R and PHREEQC: an interactive and extensible environment for efficient programming of geochemical models

    Science.gov (United States)

    De Lucia, Marco; Kühn, Michael

    2013-04-01

    PHREEQC [1] is a widely used non-interactive open source software for speciation, batch-reactions, one-dimensional transport, and inverse geochemical caclulations. It represents the tool of choice for many researchers and practicioners for a broad set of geochemical problems, underground CO2 storage among others. Its open source nature, the flexibility to program arbitrary kinetic laws for the chemical reactions, as well as a thorough implementation of the Pitzer formalism explain its success and longevity. However, its non-interactive architecture make it cumbersome to couple PHREEQC to transport programs to achieve reactive transport simulations [2], but also to overcome the limitations of PHREEQC itself regarding the setup of large numbers of simulations - for example exploring wide ranges of conditions - and the graphical evaluation of the results. This has been the main motivation leading to the development of an interface with the high level language and environment for statistical computing and graphics GNU R [3]. The interface consists of minor modifications in PHREEQC's C source code, only affecting data I/O, plus on the R side a bunch of helper functions used to setup the simulations - basically automated manipulation of PHREEQC's input files, which are text files - and to collect and visualize the results. The most relevant subset of PHREEQC's capabilities and features are fully usable through the interface. Illustratory examples for the utility of this programmable interface were given in the framework of the research project this developement originated from: CLEAN [4], a project investigating the feasibility of enhanced gas recovery combined with CO2 storage. This interface allowed us to successfully and easily manipulate, compare and refit chemical databases, perform sensitivity analysis by combinatory variations of parameters, and all that in an environment which is both scriptable and interactive, with all results directly available for further

  9. Consistent partnership formation: application to a sexually transmitted disease model.

    Science.gov (United States)

    Artzrouni, Marc; Deuchert, Eva

    2012-02-01

    We apply a consistent sexual partnership formation model which hinges on the assumption that one gender's choices drives the process (male or female dominant model). The other gender's behavior is imputed. The model is fitted to UK sexual behavior data and applied to a simple incidence model of HSV-2. With a male dominant model (which assumes accurate male reports on numbers of partners) the modeled incidences of HSV-2 are 77% higher for men and 50% higher for women than with a female dominant model (which assumes accurate female reports). Although highly stylized, our simple incidence model sheds light on the inconsistent results one can obtain with misreported data on sexual activity and age preferences. Copyright © 2011 Elsevier Inc. All rights reserved.

  10. Diagnosing a Strong-Fault Model by Conflict and Consistency

    Directory of Open Access Journals (Sweden)

    Wenfeng Zhang

    2018-03-01

    Full Text Available The diagnosis method for a weak-fault model with only normal behaviors of each component has evolved over decades. However, many systems now demand a strong-fault models, the fault modes of which have specific behaviors as well. It is difficult to diagnose a strong-fault model due to its non-monotonicity. Currently, diagnosis methods usually employ conflicts to isolate possible fault and the process can be expedited when some observed output is consistent with the model’s prediction where the consistency indicates probably normal components. This paper solves the problem of efficiently diagnosing a strong-fault model by proposing a novel Logic-based Truth Maintenance System (LTMS with two search approaches based on conflict and consistency. At the beginning, the original a strong-fault model is encoded by Boolean variables and converted into Conjunctive Normal Form (CNF. Then the proposed LTMS is employed to reason over CNF and find multiple minimal conflicts and maximal consistencies when there exists fault. The search approaches offer the best candidate efficiency based on the reasoning result until the diagnosis results are obtained. The completeness, coverage, correctness and complexity of the proposals are analyzed theoretically to show their strength and weakness. Finally, the proposed approaches are demonstrated by applying them to a real-world domain—the heat control unit of a spacecraft—where the proposed methods are significantly better than best first and conflict directly with A* search methods.

  11. Modeling of coupled geochemical and transport processes: An overview

    International Nuclear Information System (INIS)

    Carnahan, C.L.

    1989-10-01

    Early coupled models associated with fluid flow and solute transport have been limited by assumed conditions of constant temperature, fully saturated fluid flow, and constant pore fluid velocity. Developments including coupling of chemical reactions to variable fields of temperature and fluid flow have generated new requirements for experimental data. As the capabilities of coupled models expand, needs are created for experimental data to be used for both input and validation. 25 refs

  12. Geochemical Testing And Model Development - Residual Tank Waste Test Plan

    International Nuclear Information System (INIS)

    Cantrell, K.J.; Connelly, M.P.

    2010-01-01

    This Test Plan describes the testing and chemical analyses release rate studies on tank residual samples collected following the retrieval of waste from the tank. This work will provide the data required to develop a contaminant release model for the tank residuals from both sludge and salt cake single-shell tanks. The data are intended for use in the long-term performance assessment and conceptual model development.

  13. Consistent Conformal Extensions of the Standard Model arXiv

    CERN Document Server

    Loebbert, Florian; Plefka, Jan

    The question of whether classically conformal modifications of the standard model are consistent with experimental obervations has recently been subject to renewed interest. The method of Gildener and Weinberg provides a natural framework for the study of the effective potential of the resulting multi-scalar standard model extensions. This approach relies on the assumption of the ordinary loop hierarchy $\\lambda_\\text{s} \\sim g^2_\\text{g}$ of scalar and gauge couplings. On the other hand, Andreassen, Frost and Schwartz recently argued that in the (single-scalar) standard model, gauge invariant results require the consistent scaling $\\lambda_\\text{s} \\sim g^4_\\text{g}$. In the present paper we contrast these two hierarchy assumptions and illustrate the differences in the phenomenological predictions of minimal conformal extensions of the standard model.

  14. Kinetics of Uranium(VI) Desorption from Contaminated Sediments: Effect of Geochemical Conditions and Model Evaluation

    International Nuclear Information System (INIS)

    Liu, Chongxuan; Shi, Zhenqing; Zachara, John M.

    2009-01-01

    Stirred-flow cell experiments were performed to investigate the kinetics of uranyl (U(VI)) desorption from a contaminated sediment collected from the Hanford 300 Area at the US Department of Energy (DOE) Hanford Site, Washington. Three influent solutions of variable pH, Ca and carbonate concentrations that affected U(VI) aqueous and surface speciation were used under dynamic flow conditions to evaluate the effect of geochemical conditions on the rate of U(VI) desorption. The measured rate of U(VI) desorption varied with solution chemical composition that evolved as a result of thermodynamic and kinetic interactions between the influent solutions and sediment. The solution chemical composition that led to a lower equilibrium U(VI) sorption to the solid phase yielded a faster desorption rate. The experimental results were used to evaluate a multi-rate, surface complexation model (SCM) that has been proposed to describe U(VI) desorption kinetics in the Hanford sediment that contained complex sorbed U(VI) species in mass transfer limited domains. The model was modified and supplemented by including multi-rate, ion exchange reactions to describe the geochemical interactions between the solutions and sediment. With the same set of model parameters, the modified model reasonably well described the evolution of major ions and the rates of U(VI) desorption under variable geochemical and flow conditions, implying that the multi-rate SCM is an effective way to describe U(VI) desorption kinetics in subsurface sediments

  15. Final Report Fermionic Symmetries and Self consistent Shell Model

    International Nuclear Information System (INIS)

    Zamick, Larry

    2008-01-01

    In this final report in the field of theoretical nuclear physics we note important accomplishments.We were confronted with 'anomoulous' magnetic moments by the experimetalists and were able to expain them. We found unexpected partial dynamical symmetries--completely unknown before, and were able to a large extent to expain them. The importance of a self consistent shell model was emphasized.

  16. CONSISTENCY UNDER SAMPLING OF EXPONENTIAL RANDOM GRAPH MODELS.

    Science.gov (United States)

    Shalizi, Cosma Rohilla; Rinaldo, Alessandro

    2013-04-01

    The growing availability of network data and of scientific interest in distributed systems has led to the rapid development of statistical models of network structure. Typically, however, these are models for the entire network, while the data consists only of a sampled sub-network. Parameters for the whole network, which is what is of interest, are estimated by applying the model to the sub-network. This assumes that the model is consistent under sampling , or, in terms of the theory of stochastic processes, that it defines a projective family. Focusing on the popular class of exponential random graph models (ERGMs), we show that this apparently trivial condition is in fact violated by many popular and scientifically appealing models, and that satisfying it drastically limits ERGM's expressive power. These results are actually special cases of more general results about exponential families of dependent random variables, which we also prove. Using such results, we offer easily checked conditions for the consistency of maximum likelihood estimation in ERGMs, and discuss some possible constructive responses.

  17. Geochemical computer codes. A review

    International Nuclear Information System (INIS)

    Andersson, K.

    1987-01-01

    In this report a review of available codes is performed and some code intercomparisons are also discussed. The number of codes treating natural waters (groundwater, lake water, sea water) is large. Most geochemical computer codes treat equilibrium conditions, although some codes with kinetic capability are available. A geochemical equilibrium model consists of a computer code, solving a set of equations by some numerical method and a data base, consisting of thermodynamic data required for the calculations. There are some codes which treat coupled geochemical and transport modeling. Some of these codes solve the equilibrium and transport equations simultaneously while other solve the equations separately from each other. The coupled codes require a large computer capacity and have thus as yet limited use. Three code intercomparisons have been found in literature. It may be concluded that there are many codes available for geochemical calculations but most of them require a user that us quite familiar with the code. The user also has to know the geochemical system in order to judge the reliability of the results. A high quality data base is necessary to obtain a reliable result. The best results may be expected for the major species of natural waters. For more complicated problems, including trace elements, precipitation/dissolution, adsorption, etc., the results seem to be less reliable. (With 44 refs.) (author)

  18. Geochemical modelling of the groundwater at the Olkiluoto site

    International Nuclear Information System (INIS)

    Pitkaenen, P.; Snellman, M.; Leino-Forsman, H.; Vuorinen, U.

    1994-04-01

    A preliminary model for probable processes responsible for the evolution of the groundwater at the nuclear waste investigation site Olkiluoto (in Finland) is presented. The hydrological data was collected from boreholes drilled down to 1000-m depth into crystalline bedrock. Based on chemical, isotopic, petrographic and hydrological data as well as ion plots and speciation calculations with PHREEQE the thermodynamic controls on the water composition and trends constraining these processes are evaluated. In order to determine the reactions which can explain the changes along the flow path during the evolution of groundwater system and to determine to which extent these reactions take place, mass-balance calculations with the NETPATH program were used. Mass transfer calculations with the EQ6 program were used to test the feasibility of the model derived, to predict reaction paths and composition of equilibrium solutions for the redox reactions. (57 refs., 43 figs., 10 tabs.)

  19. Consistent three-equation model for thin films

    Science.gov (United States)

    Richard, Gael; Gisclon, Marguerite; Ruyer-Quil, Christian; Vila, Jean-Paul

    2017-11-01

    Numerical simulations of thin films of newtonian fluids down an inclined plane use reduced models for computational cost reasons. These models are usually derived by averaging over the fluid depth the physical equations of fluid mechanics with an asymptotic method in the long-wave limit. Two-equation models are based on the mass conservation equation and either on the momentum balance equation or on the work-energy theorem. We show that there is no two-equation model that is both consistent and theoretically coherent and that a third variable and a three-equation model are required to solve all theoretical contradictions. The linear and nonlinear properties of two and three-equation models are tested on various practical problems. We present a new consistent three-equation model with a simple mathematical structure which allows an easy and reliable numerical resolution. The numerical calculations agree fairly well with experimental measurements or with direct numerical resolutions for neutral stability curves, speed of kinematic waves and of solitary waves and depth profiles of wavy films. The model can also predict the flow reversal at the first capillary trough ahead of the main wave hump.

  20. Self-consistent mean-field models for nuclear structure

    International Nuclear Information System (INIS)

    Bender, Michael; Heenen, Paul-Henri; Reinhard, Paul-Gerhard

    2003-01-01

    The authors review the present status of self-consistent mean-field (SCMF) models for describing nuclear structure and low-energy dynamics. These models are presented as effective energy-density functionals. The three most widely used variants of SCMF's based on a Skyrme energy functional, a Gogny force, and a relativistic mean-field Lagrangian are considered side by side. The crucial role of the treatment of pairing correlations is pointed out in each case. The authors discuss other related nuclear structure models and present several extensions beyond the mean-field model which are currently used. Phenomenological adjustment of the model parameters is discussed in detail. The performance quality of the SCMF model is demonstrated for a broad range of typical applications

  1. Detection and quantification of flow consistency in business process models

    DEFF Research Database (Denmark)

    Burattin, Andrea; Bernstein, Vered; Neurauter, Manuel

    2017-01-01

    , to show how such features can be quantified into computational metrics, which are applicable to business process models. We focus on one particular feature, consistency of flow direction, and show the challenges that arise when transforming it into a precise metric. We propose three different metrics......Business process models abstract complex business processes by representing them as graphical models. Their layout, as determined by the modeler, may have an effect when these models are used. However, this effect is currently not fully understood. In order to systematically study this effect......, a basic set of measurable key visual features is proposed, depicting the layout properties that are meaningful to the human user. The aim of this research is thus twofold: first, to empirically identify key visual features of business process models which are perceived as meaningful to the user and second...

  2. A consistent transported PDF model for treating differential molecular diffusion

    Science.gov (United States)

    Wang, Haifeng; Zhang, Pei

    2016-11-01

    Differential molecular diffusion is a fundamentally significant phenomenon in all multi-component turbulent reacting or non-reacting flows caused by the different rates of molecular diffusion of energy and species concentrations. In the transported probability density function (PDF) method, the differential molecular diffusion can be treated by using a mean drift model developed by McDermott and Pope. This model correctly accounts for the differential molecular diffusion in the scalar mean transport and yields a correct DNS limit of the scalar variance production. The model, however, misses the molecular diffusion term in the scalar variance transport equation, which yields an inconsistent prediction of the scalar variance in the transported PDF method. In this work, a new model is introduced to remedy this problem that can yield a consistent scalar variance prediction. The model formulation along with its numerical implementation is discussed, and the model validation is conducted in a turbulent mixing layer problem.

  3. Consistency checks in beam emission modeling for neutral beam injectors

    International Nuclear Information System (INIS)

    Punyapu, Bharathi; Vattipalle, Prahlad; Sharma, Sanjeev Kumar; Baruah, Ujjwal Kumar; Crowley, Brendan

    2015-01-01

    In positive neutral beam systems, the beam parameters such as ion species fractions, power fractions and beam divergence are routinely measured using Doppler shifted beam emission spectrum. The accuracy with which these parameters are estimated depend on the accuracy of the atomic modeling involved in these estimations. In this work, an effective procedure to check the consistency of the beam emission modeling in neutral beam injectors is proposed. As a first consistency check, at a constant beam voltage and current, the intensity of the beam emission spectrum is measured by varying the pressure in the neutralizer. Then, the scaling of measured intensity of un-shifted (target) and Doppler shifted intensities (projectile) of the beam emission spectrum at these pressure values are studied. If the un-shifted component scales with pressure, then the intensity of this component will be used as a second consistency check on the beam emission modeling. As a further check, the modeled beam fractions and emission cross sections of projectile and target are used to predict the intensity of the un-shifted component and then compared with the value of measured target intensity. An agreement between the predicted and measured target intensities provide the degree of discrepancy in the beam emission modeling. In order to test this methodology, a systematic analysis of Doppler shift spectroscopy data obtained on the JET neutral beam test stand data was carried out

  4. Simplified models for dark matter face their consistent completions

    Energy Technology Data Exchange (ETDEWEB)

    Gonçalves, Dorival; Machado, Pedro A. N.; No, Jose Miguel

    2017-03-01

    Simplified dark matter models have been recently advocated as a powerful tool to exploit the complementarity between dark matter direct detection, indirect detection and LHC experimental probes. Focusing on pseudoscalar mediators between the dark and visible sectors, we show that the simplified dark matter model phenomenology departs significantly from that of consistent ${SU(2)_{\\mathrm{L}} \\times U(1)_{\\mathrm{Y}}}$ gauge invariant completions. We discuss the key physics simplified models fail to capture, and its impact on LHC searches. Notably, we show that resonant mono-Z searches provide competitive sensitivities to standard mono-jet analyses at $13$ TeV LHC.

  5. Geochemical modeling (EQ3/6) plan: Office of Civilian Radioactive Waste Management Program

    International Nuclear Information System (INIS)

    McKenzie, W.F.; Wolery, T.J.; Delany, J.M.; Silva, R.J.; Jackson, K.J.; Bourcier, W.L.; Emerson, D.O.

    1986-01-01

    This plan replaces an earlier plan for the Nevada Nuclear Waste Storage Investigations (NNWSI) Project. It includes activities for all repository projects in the Office of Geologic Repositories: NNWSI, the Basalt Waste Isolation Project, the Salt Repository Project, and the Crystalline Project. Each of these projects is part of the Office of Civilian Radioactive Waste Management (OCRWM) Program. The scope of work for fiscal years 1986 to 1992 includes the work required to upgrade the geochemical codes and supporting data bases, to permit modeling of chemical processes associated with nuclear waste repositories in four geological environments: tuff, salt, basalt, and crystalline rock. Planned tasks include theoretical studies and code development to take account of the effects of precipitation kinetics, sorption, solid solutions, glass/water interactions, variable gas fugacities, and simple mass transport. Recent progress has been made in the ability of the codes to account for precipitation kinetics, highly-saline solutions, and solid solutions. Transition state theory was re-examined resulting in new insights that will provide the foundation for further improvements necessary to model chemical kinetics. Currently there is an increased effort that is concentrated on the supporting data base. For aqueous species and solid phases, specific to nuclear waste, requisite thermodynamic values reported in the literature are being evaluated and for cases where essential data is lacking, laboratory measurements will be carried out. Significant modifications and expansions have been made to the data base. During FY86, the total number of species in the data base has almost doubled and many improvements have been made with regard to consistency, organization, user applications, and documentation. Two Ridge computers using a RISC implementation of UNIX were installed; they are completely dedicated EQ3/6 machines

  6. Geochemical modeling (EQ3/6) plan: Office of Civilian Radioactive Waste Management Program

    Energy Technology Data Exchange (ETDEWEB)

    McKenzie, W.F.; Wolery, T.J.; Delany, J.M.; Silva, R.J.; Jackson, K.J.; Bourcier, W.L.; Emerson, D.O.

    1986-08-28

    This plan replaces an earlier plan for the Nevada Nuclear Waste Storage Investigations (NNWSI) Project. It includes activities for all repository projects in the Office of Geologic Repositories: NNWSI, the Basalt Waste Isolation Project, the Salt Repository Project, and the Crystalline Project. Each of these projects is part of the Office of Civilian Radioactive Waste Management (OCRWM) Program. The scope of work for fiscal years 1986 to 1992 includes the work required to upgrade the geochemical codes and supporting data bases, to permit modeling of chemical processes associated with nuclear waste repositories in four geological environments: tuff, salt, basalt, and crystalline rock. Planned tasks include theoretical studies and code development to take account of the effects of precipitation kinetics, sorption, solid solutions, glass/water interactions, variable gas fugacities, and simple mass transport. Recent progress has been made in the ability of the codes to account for precipitation kinetics, highly-saline solutions, and solid solutions. Transition state theory was re-examined resulting in new insights that will provide the foundation for further improvements necessary to model chemical kinetics. Currently there is an increased effort that is concentrated on the supporting data base. For aqueous species and solid phases, specific to nuclear waste, requisite thermodynamic values reported in the literature are being evaluated and for cases where essential data is lacking, laboratory measurements will be carried out. Significant modifications and expansions have been made to the data base. During FY86, the total number of species in the data base has almost doubled and many improvements have been made with regard to consistency, organization, user applications, and documentation. Two Ridge computers using a RISC implementation of UNIX were installed; they are completely dedicated EQ3/6 machines.

  7. Thermodynamic Data for Geochemical Modeling of Carbonate Reactions Associated with CO2 Sequestration – Literature Review

    Energy Technology Data Exchange (ETDEWEB)

    Krupka, Kenneth M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Cantrell, Kirk J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); McGrail, B. Peter [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2010-09-01

    Permanent storage of anthropogenic CO2 in deep geologic formations is being considered as a means to reduce the concentration of atmospheric CO2 and thus its contribution to global climate change. To ensure safe and effective geologic sequestration, numerous studies have been completed of the extent to which the CO2 migrates within geologic formations and what physical and geochemical changes occur in these formations when CO2 is injected. Sophisticated, computerized reservoir simulations are used as part of field site and laboratory CO2 sequestration studies. These simulations use coupled multiphase flow-reactive chemical transport models and/or standalone (i.e., no coupled fluid transport) geochemical models to calculate gas solubility, aqueous complexation, reduction/oxidation (redox), and/or mineral solubility reactions related to CO2 injection and sequestration. Thermodynamic data are critical inputs to modeling geochemical processes. The adequacy of thermodynamic data for carbonate compounds has been identified as an important data requirement for the successful application of these geochemical reaction models to CO2 sequestration. A review of thermodynamic data for CO2 gas and carbonate aqueous species and minerals present in published data compilations and databases used in geochemical reaction models was therefore completed. Published studies that describe mineralogical analyses from CO2 sequestration field and natural analogue sites and laboratory studies were also reviewed to identify specific carbonate minerals that are important to CO2 sequestration reactions and therefore require thermodynamic data. The results of the literature review indicated that an extensive thermodynamic database exists for CO2 and CH4 gases, carbonate aqueous species, and carbonate minerals. Values of ΔfG298° and/or log Kr,298° are available for essentially all of these compounds. However, log Kr,T° or heat capacity values at temperatures above 298 K exist for less than

  8. Thermodynamic Data for Geochemical Modeling of Carbonate Reactions Associated with CO2 Sequestration - Literature Review

    International Nuclear Information System (INIS)

    Krupka, Kenneth M.; Cantrell, Kirk J.; McGrail, B. Peter

    2010-01-01

    Permanent storage of anthropogenic CO 2 in deep geologic formations is being considered as a means to reduce the concentration of atmospheric CO 2 and thus its contribution to global climate change. To ensure safe and effective geologic sequestration, numerous studies have been completed of the extent to which the CO 2 migrates within geologic formations and what physical and geochemical changes occur in these formations when CO 2 is injected. Sophisticated, computerized reservoir simulations are used as part of field site and laboratory CO 2 sequestration studies. These simulations use coupled multiphase flow-reactive chemical transport models and/or standalone (i.e., no coupled fluid transport) geochemical models to calculate gas solubility, aqueous complexation, reduction/oxidation (redox), and/or mineral solubility reactions related to CO 2 injection and sequestration. Thermodynamic data are critical inputs to modeling geochemical processes. The adequacy of thermodynamic data for carbonate compounds has been identified as an important data requirement for the successful application of these geochemical reaction models to CO 2 sequestration. A review of thermodynamic data for CO 2 gas and carbonate aqueous species and minerals present in published data compilations and databases used in geochemical reaction models was therefore completed. Published studies that describe mineralogical analyses from CO 2 sequestration field and natural analogue sites and laboratory studies were also reviewed to identify specific carbonate minerals that are important to CO 2 sequestration reactions and therefore require thermodynamic data. The results of the literature review indicated that an extensive thermodynamic database exists for CO 2 and CH 4 gases, carbonate aqueous species, and carbonate minerals. Values of Δ f G 298 o and/or log K r,298 o are available for essentially all of these compounds. However, log K r,T o or heat capacity values at temperatures above 298 K exist

  9. Consistency of the tachyon warm inflationary universe models

    International Nuclear Information System (INIS)

    Zhang, Xiao-Min; Zhu, Jian-Yang

    2014-01-01

    This study concerns the consistency of the tachyon warm inflationary models. A linear stability analysis is performed to find the slow-roll conditions, characterized by the potential slow-roll (PSR) parameters, for the existence of a tachyon warm inflationary attractor in the system. The PSR parameters in the tachyon warm inflationary models are redefined. Two cases, an exponential potential and an inverse power-law potential, are studied, when the dissipative coefficient Γ = Γ 0 and Γ = Γ(φ), respectively. A crucial condition is obtained for a tachyon warm inflationary model characterized by the Hubble slow-roll (HSR) parameter ε H , and the condition is extendable to some other inflationary models as well. A proper number of e-folds is obtained in both cases of the tachyon warm inflation, in contrast to existing works. It is also found that a constant dissipative coefficient (Γ = Γ 0 ) is usually not a suitable assumption for a warm inflationary model

  10. Modeling self-consistent multi-class dynamic traffic flow

    Science.gov (United States)

    Cho, Hsun-Jung; Lo, Shih-Ching

    2002-09-01

    In this study, we present a systematic self-consistent multiclass multilane traffic model derived from the vehicular Boltzmann equation and the traffic dispersion model. The multilane domain is considered as a two-dimensional space and the interaction among vehicles in the domain is described by a dispersion model. The reason we consider a multilane domain as a two-dimensional space is that the driving behavior of road users may not be restricted by lanes, especially motorcyclists. The dispersion model, which is a nonlinear Poisson equation, is derived from the car-following theory and the equilibrium assumption. Under the concept that all kinds of users share the finite section, the density is distributed on a road by the dispersion model. In addition, the dynamic evolution of the traffic flow is determined by the systematic gas-kinetic model derived from the Boltzmann equation. Multiplying Boltzmann equation by the zeroth, first- and second-order moment functions, integrating both side of the equation and using chain rules, we can derive continuity, motion and variance equation, respectively. However, the second-order moment function, which is the square of the individual velocity, is employed by previous researches does not have physical meaning in traffic flow. Although the second-order expansion results in the velocity variance equation, additional terms may be generated. The velocity variance equation we propose is derived from multiplying Boltzmann equation by the individual velocity variance. It modifies the previous model and presents a new gas-kinetic traffic flow model. By coupling the gas-kinetic model and the dispersion model, a self-consistent system is presented.

  11. Detection and quantification of flow consistency in business process models.

    Science.gov (United States)

    Burattin, Andrea; Bernstein, Vered; Neurauter, Manuel; Soffer, Pnina; Weber, Barbara

    2018-01-01

    Business process models abstract complex business processes by representing them as graphical models. Their layout, as determined by the modeler, may have an effect when these models are used. However, this effect is currently not fully understood. In order to systematically study this effect, a basic set of measurable key visual features is proposed, depicting the layout properties that are meaningful to the human user. The aim of this research is thus twofold: first, to empirically identify key visual features of business process models which are perceived as meaningful to the user and second, to show how such features can be quantified into computational metrics, which are applicable to business process models. We focus on one particular feature, consistency of flow direction, and show the challenges that arise when transforming it into a precise metric. We propose three different metrics addressing these challenges, each following a different view of flow consistency. We then report the results of an empirical evaluation, which indicates which metric is more effective in predicting the human perception of this feature. Moreover, two other automatic evaluations describing the performance and the computational capabilities of our metrics are reported as well.

  12. Extension of the EQ3/6 computer codes to geochemical modeling of brines

    Energy Technology Data Exchange (ETDEWEB)

    Jackson, K.J.; Wolery, T.J.

    1984-10-23

    Recent modifications to the EQ3/6 geochemical modeling software package provide for the use of Pitzer's equations to calculate the activity coefficients of aqueous species and the activity of water. These changes extend the range of solute concentrations over which the codes can be used to dependably calculate equilibria in geochemical systems, and permit the inclusion of ion pairs, complexes, and undissociated acids and bases as explicit component species in the Pitzer model. Comparisons of calculations made by the EQ3NR and EQ6 compuer codes with experimental data confirm that the modifications not only allow the codes to accurately evaluate activity coefficients in concentrated solutions, but also permit prediction of solubility limits of evaporite minerals in brines at 25/sup 0/C and elevated temperatures. Calculations for a few salts can be made at temperatures up to approx. 300/sup 0/C, but the temperature range for most electrolytes is constrained by the availability of requisite data to values less than or equal to 100/sup 0/C. The implementation of Pitzer's equations in EQ3/6 allows application of these codes to problems involving calculation of geochemical equilibria in brines; such as evaluation of the chemical environment which might be anticipated for nuclear waste canisters located in a salt repository. 26 references, 3 figures, 1 table.

  13. Simulation of radionuclide retardation at Yucca Mountain using a stochastic mineralogical/geochemical model

    International Nuclear Information System (INIS)

    Birdsell, K.H.; Campbell, K.; Eggert, K.; Travis, B.J.

    1990-01-01

    This paper presents preliminary transport calculations for radionuclide movement at Yucca Mountain. Several different realizations of spatially distributed sorption coefficients are used to study the sensitivity of radionuclide migration. These sorption coefficients are assumed to be functions of the mineralogic assemblages of the underlying rock. The simulations were run with TRACRN 1 , a finite-difference porous flow and radionuclide transport code developed for the Yucca Mountain Project. Approximately 30,000 nodes are used to represent the unsaturated and saturated zones underlying the repository in three dimensions. Transport calculations for a representative radionuclide cation, 135 Cs, and anion, 99 Tc, are presented. Calculations such as these will be used to study the effectiveness of the site's geochemical barriers at a mechanistic level and to help guide the geochemical site characterization program. The preliminary calculations should be viewed as a demonstration of the modeling methodology rather than as a study of the effectiveness of the geochemical barriers. The model provides a method for examining the integration of flow scenarios with transport and retardation processes as currently understood for the site. The effects on transport of many of the processes thought to be active at Yucca Mountain may be examined using this approach. 11 refs., 14 figs., 1 tab

  14. Consistency Across Standards or Standards in a New Business Model

    Science.gov (United States)

    Russo, Dane M.

    2010-01-01

    Presentation topics include: standards in a changing business model, the new National Space Policy is driving change, a new paradigm for human spaceflight, consistency across standards, the purpose of standards, danger of over-prescriptive standards, a balance is needed (between prescriptive and general standards), enabling versus inhibiting, characteristics of success-oriented standards, characteristics of success-oriented standards, and conclusions. Additional slides include NASA Procedural Requirements 8705.2B identifies human rating standards and requirements, draft health and medical standards for human rating, what's been done, government oversight models, examples of consistency from anthropometry, examples of inconsistency from air quality and appendices of government and non-governmental human factors standards.

  15. Modeling of geochemical processes in the submarine discharge zone of hydrothermal solutions

    Directory of Open Access Journals (Sweden)

    С. М. Судариков

    2017-06-01

    Full Text Available The paper reviews the main methods and analyzes modeling results for geochemical processes in the submarine discharge zone of hydrothermal solutions of mid-ocean ridges. Initial data for modeling have been obtained during several marine expeditions, including Russian-French expedition SERPENTINE on the research vessel «Pourquoi Рas?» (2007. Results of field observations, laboratory experiments and theoretical developments are supported by the analysis of regression model of mixing between hydrothermal solutions and sea water. Verification of the model has been carried out and the quality of chemical analysis has been assessed; degree and character of participation of solution components in the hydrothermal process have been defined; the content of end members has been calculated basing on reverse forecasting of element concentration, depending on regression character; data for thermodynamic modeling have been prepared. Regression model of acid-base properties and chloridity of mineralizing thermal springs confirms adequacy of the model of double-diffusive convection for forming the composition of hydrothermal solutions.  Differentiation of solutions according to concentrations of chloride-ion, depending on temperature and pH indicator within this model, is associated with phase conversions and mixing of fluids from two convection cells, one of which is a zone of brine circulation. In order to carry out computer thermodynamic modeling, hydro-geochemical and physicochemical models of hydrothermal discharge zone have been created. Verification of the model has been carried out basing on changes of Mn concentration in the hydrothermal plume. Prevailing forms of Mn migration in the plume are Mn2+, MnCl+, MnCl2. Two zones have been identified in the geochemical structure of the plume: 1 high-temperature zone (350-100 °С with prevalence of chloride complexes – ascending plume; 2 low-temperature zone (100-2 °С, where predominant form of

  16. Self-consistent approach for neutral community models with speciation

    Science.gov (United States)

    Haegeman, Bart; Etienne, Rampal S.

    2010-03-01

    Hubbell’s neutral model provides a rich theoretical framework to study ecological communities. By incorporating both ecological and evolutionary time scales, it allows us to investigate how communities are shaped by speciation processes. The speciation model in the basic neutral model is particularly simple, describing speciation as a point-mutation event in a birth of a single individual. The stationary species abundance distribution of the basic model, which can be solved exactly, fits empirical data of distributions of species’ abundances surprisingly well. More realistic speciation models have been proposed such as the random-fission model in which new species appear by splitting up existing species. However, no analytical solution is available for these models, impeding quantitative comparison with data. Here, we present a self-consistent approximation method for neutral community models with various speciation modes, including random fission. We derive explicit formulas for the stationary species abundance distribution, which agree very well with simulations. We expect that our approximation method will be useful to study other speciation processes in neutral community models as well.

  17. Consistent Partial Least Squares Path Modeling via Regularization

    Directory of Open Access Journals (Sweden)

    Sunho Jung

    2018-02-01

    Full Text Available Partial least squares (PLS path modeling is a component-based structural equation modeling that has been adopted in social and psychological research due to its data-analytic capability and flexibility. A recent methodological advance is consistent PLS (PLSc, designed to produce consistent estimates of path coefficients in structural models involving common factors. In practice, however, PLSc may frequently encounter multicollinearity in part because it takes a strategy of estimating path coefficients based on consistent correlations among independent latent variables. PLSc has yet no remedy for this multicollinearity problem, which can cause loss of statistical power and accuracy in parameter estimation. Thus, a ridge type of regularization is incorporated into PLSc, creating a new technique called regularized PLSc. A comprehensive simulation study is conducted to evaluate the performance of regularized PLSc as compared to its non-regularized counterpart in terms of power and accuracy. The results show that our regularized PLSc is recommended for use when serious multicollinearity is present.

  18. A Consistent Pricing Model for Index Options and Volatility Derivatives

    DEFF Research Database (Denmark)

    Kokholm, Thomas

    to be priced consistently, while allowing for jumps in volatility and returns. An affine specification using Lévy processes as building blocks leads to analytically tractable pricing formulas for volatility derivatives, such as VIX options, as well as efficient numerical methods for pricing of European options...... on the underlying asset. The model has the convenient feature of decoupling the vanilla skews from spot/volatility correlations and allowing for different conditional correlations in large and small spot/volatility moves. We show that our model can simultaneously fit prices of European options on S&P 500 across...

  19. A Consistent Pricing Model for Index Options and Volatility Derivatives

    DEFF Research Database (Denmark)

    Cont, Rama; Kokholm, Thomas

    2013-01-01

    to be priced consistently, while allowing for jumps in volatility and returns. An affine specification using Lévy processes as building blocks leads to analytically tractable pricing formulas for volatility derivatives, such as VIX options, as well as efficient numerical methods for pricing of European options...... on the underlying asset. The model has the convenient feature of decoupling the vanilla skews from spot/volatility correlations and allowing for different conditional correlations in large and small spot/volatility moves. We show that our model can simultaneously fit prices of European options on S&P 500 across...

  20. A Consistent Pricing Model for Index Options and Volatility Derivatives

    DEFF Research Database (Denmark)

    Cont, Rama; Kokholm, Thomas

    observed properties of variance swap dynamics and allows for jumps in volatility and returns. An affine specification using L´evy processes as building blocks leads to analytically tractable pricing formulas for options on variance swaps as well as efficient numerical methods for pricing of European......We propose and study a flexible modeling framework for the joint dynamics of an index and a set of forward variance swap rates written on this index, allowing options on forward variance swaps and options on the underlying index to be priced consistently. Our model reproduces various empirically...... options on the underlying asset. The model has the convenient feature of decoupling the vanilla skews from spot/volatility correlations and allowing for different conditional correlations in large and small spot/volatility moves. We show that our model can simultaneously fit prices of European options...

  1. Modules based on the geochemical model PHREEQC for use in scripting and programming languages

    Science.gov (United States)

    Charlton, Scott R.; Parkhurst, David L.

    2011-01-01

    The geochemical model PHREEQC is capable of simulating a wide range of equilibrium reactions between water and minerals, ion exchangers, surface complexes, solid solutions, and gases. It also has a general kinetic formulation that allows modeling of nonequilibrium mineral dissolution and precipitation, microbial reactions, decomposition of organic compounds, and other kinetic reactions. To facilitate use of these reaction capabilities in scripting languages and other models, PHREEQC has been implemented in modules that easily interface with other software. A Microsoft COM (component object model) has been implemented, which allows PHREEQC to be used by any software that can interface with a COM server—for example, Excel®, Visual Basic®, Python, or MATLAB". PHREEQC has been converted to a C++ class, which can be included in programs written in C++. The class also has been compiled in libraries for Linux and Windows that allow PHREEQC to be called from C++, C, and Fortran. A limited set of methods implements the full reaction capabilities of PHREEQC for each module. Input methods use strings or files to define reaction calculations in exactly the same formats used by PHREEQC. Output methods provide a table of user-selected model results, such as concentrations, activities, saturation indices, and densities. The PHREEQC module can add geochemical reaction capabilities to surface-water, groundwater, and watershed transport models. It is possible to store and manipulate solution compositions and reaction information for many cells within the module. In addition, the object-oriented nature of the PHREEQC modules simplifies implementation of parallel processing for reactive-transport models. The PHREEQC COM module may be used in scripting languages to fit parameters; to plot PHREEQC results for field, laboratory, or theoretical investigations; or to develop new models that include simple or complex geochemical calculations.

  2. Development of a Consistent and Reproducible Porcine Scald Burn Model

    Science.gov (United States)

    Kempf, Margit; Kimble, Roy; Cuttle, Leila

    2016-01-01

    There are very few porcine burn models that replicate scald injuries similar to those encountered by children. We have developed a robust porcine burn model capable of creating reproducible scald burns for a wide range of burn conditions. The study was conducted with juvenile Large White pigs, creating replicates of burn combinations; 50°C for 1, 2, 5 and 10 minutes and 60°C, 70°C, 80°C and 90°C for 5 seconds. Visual wound examination, biopsies and Laser Doppler Imaging were performed at 1, 24 hours and at 3 and 7 days post-burn. A consistent water temperature was maintained within the scald device for long durations (49.8 ± 0.1°C when set at 50°C). The macroscopic and histologic appearance was consistent between replicates of burn conditions. For 50°C water, 10 minute duration burns showed significantly deeper tissue injury than all shorter durations at 24 hours post-burn (p ≤ 0.0001), with damage seen to increase until day 3 post-burn. For 5 second duration burns, by day 7 post-burn the 80°C and 90°C scalds had damage detected significantly deeper in the tissue than the 70°C scalds (p ≤ 0.001). A reliable and safe model of porcine scald burn injury has been successfully developed. The novel apparatus with continually refreshed water improves consistency of scald creation for long exposure times. This model allows the pathophysiology of scald burn wound creation and progression to be examined. PMID:27612153

  3. Thermodynamically consistent model of brittle oil shales under overpressure

    Science.gov (United States)

    Izvekov, Oleg

    2016-04-01

    The concept of dual porosity is a common way for simulation of oil shale production. In the frame of this concept the porous fractured media is considered as superposition of two permeable continua with mass exchange. As a rule the concept doesn't take into account such as the well-known phenomenon as slip along natural fractures, overpressure in low permeability matrix and so on. Overpressure can lead to development of secondary fractures in low permeability matrix in the process of drilling and pressure reduction during production. In this work a new thermodynamically consistent model which generalizes the model of dual porosity is proposed. Particularities of the model are as follows. The set of natural fractures is considered as permeable continuum. Damage mechanics is applied to simulation of secondary fractures development in low permeability matrix. Slip along natural fractures is simulated in the frame of plasticity theory with Drucker-Prager criterion.

  4. Large scale Bayesian nuclear data evaluation with consistent model defects

    International Nuclear Information System (INIS)

    Schnabel, G

    2015-01-01

    Monte Carlo sampling schemes of available evaluation methods. The second improvement concerns Bayesian evaluation methods based on a certain simplification of the nuclear model. These methods were restricted to the consistent evaluation of tens of thousands of observables. In this thesis, a new evaluation scheme has been developed, which is mathematically equivalent to existing methods, but allows the consistent evaluation of dozens of millions of observables. The new scheme is suited for the implementation as a database application. The realization of such an application with public access can help to accelerate the production of reliable nuclear data sets. Furthermore, in combination with the novel treatment of model deficiencies, problems of the model and the experimental data can be tracked down without user interaction. This feature can foster the development of nuclear models with high predictive power. (author) [de

  5. Analytic Intermodel Consistent Modeling of Volumetric Human Lung Dynamics.

    Science.gov (United States)

    Ilegbusi, Olusegun; Seyfi, Behnaz; Neylon, John; Santhanam, Anand P

    2015-10-01

    Human lung undergoes breathing-induced deformation in the form of inhalation and exhalation. Modeling the dynamics is numerically complicated by the lack of information on lung elastic behavior and fluid-structure interactions between air and the tissue. A mathematical method is developed to integrate deformation results from a deformable image registration (DIR) and physics-based modeling approaches in order to represent consistent volumetric lung dynamics. The computational fluid dynamics (CFD) simulation assumes the lung is a poro-elastic medium with spatially distributed elastic property. Simulation is performed on a 3D lung geometry reconstructed from four-dimensional computed tomography (4DCT) dataset of a human subject. The heterogeneous Young's modulus (YM) is estimated from a linear elastic deformation model with the same lung geometry and 4D lung DIR. The deformation obtained from the CFD is then coupled with the displacement obtained from the 4D lung DIR by means of the Tikhonov regularization (TR) algorithm. The numerical results include 4DCT registration, CFD, and optimal displacement data which collectively provide consistent estimate of the volumetric lung dynamics. The fusion method is validated by comparing the optimal displacement with the results obtained from the 4DCT registration.

  6. A model for cytoplasmic rheology consistent with magnetic twisting cytometry.

    Science.gov (United States)

    Butler, J P; Kelly, S M

    1998-01-01

    Magnetic twisting cytometry is gaining wide applicability as a tool for the investigation of the rheological properties of cells and the mechanical properties of receptor-cytoskeletal interactions. Current technology involves the application and release of magnetically induced torques on small magnetic particles bound to or inside cells, with measurements of the resulting angular rotation of the particles. The properties of purely elastic or purely viscous materials can be determined by the angular strain and strain rate, respectively. However, the cytoskeleton and its linkage to cell surface receptors display elastic, viscous, and even plastic deformation, and the simultaneous characterization of these properties using only elastic or viscous models is internally inconsistent. Data interpretation is complicated by the fact that in current technology, the applied torques are not constant in time, but decrease as the particles rotate. This paper describes an internally consistent model consisting of a parallel viscoelastic element in series with a parallel viscoelastic element, and one approach to quantitative parameter evaluation. The unified model reproduces all essential features seen in data obtained from a wide variety of cell populations, and contains the pure elastic, viscoelastic, and viscous cases as subsets.

  7. PhreeqcRM: A reaction module for transport simulators based on the geochemical model PHREEQC

    Science.gov (United States)

    Parkhurst, David L.; Wissmeier, Laurin

    2015-01-01

    PhreeqcRM is a geochemical reaction module designed specifically to perform equilibrium and kinetic reaction calculations for reactive transport simulators that use an operator-splitting approach. The basic function of the reaction module is to take component concentrations from the model cells of the transport simulator, run geochemical reactions, and return updated component concentrations to the transport simulator. If multicomponent diffusion is modeled (e.g., Nernst–Planck equation), then aqueous species concentrations can be used instead of component concentrations. The reaction capabilities are a complete implementation of the reaction capabilities of PHREEQC. In each cell, the reaction module maintains the composition of all of the reactants, which may include minerals, exchangers, surface complexers, gas phases, solid solutions, and user-defined kinetic reactants.PhreeqcRM assigns initial and boundary conditions for model cells based on standard PHREEQC input definitions (files or strings) of chemical compositions of solutions and reactants. Additional PhreeqcRM capabilities include methods to eliminate reaction calculations for inactive parts of a model domain, transfer concentrations and other model properties, and retrieve selected results. The module demonstrates good scalability for parallel processing by using multiprocessing with MPI (message passing interface) on distributed memory systems, and limited scalability using multithreading with OpenMP on shared memory systems. PhreeqcRM is written in C++, but interfaces allow methods to be called from C or Fortran. By using the PhreeqcRM reaction module, an existing multicomponent transport simulator can be extended to simulate a wide range of geochemical reactions. Results of the implementation of PhreeqcRM as the reaction engine for transport simulators PHAST and FEFLOW are shown by using an analytical solution and the reactive transport benchmark of MoMaS.

  8. A self-consistent model of an isothermal tokamak

    Science.gov (United States)

    McNamara, Steven; Lilley, Matthew

    2014-10-01

    Continued progress in liquid lithium coating technologies have made the development of a beam driven tokamak with minimal edge recycling a feasibly possibility. Such devices are characterised by improved confinement due to their inherent stability and the suppression of thermal conduction. Particle and energy confinement become intrinsically linked and the plasma thermal energy content is governed by the injected beam. A self-consistent model of a purely beam fuelled isothermal tokamak is presented, including calculations of the density profile, bulk species temperature ratios and the fusion output. Stability considerations constrain the operating parameters and regions of stable operation are identified and their suitability to potential reactor applications discussed.

  9. Mean-field theory and self-consistent dynamo modeling

    International Nuclear Information System (INIS)

    Yoshizawa, Akira; Yokoi, Nobumitsu

    2001-12-01

    Mean-field theory of dynamo is discussed with emphasis on the statistical formulation of turbulence effects on the magnetohydrodynamic equations and the construction of a self-consistent dynamo model. The dynamo mechanism is sought in the combination of the turbulent residual-helicity and cross-helicity effects. On the basis of this mechanism, discussions are made on the generation of planetary magnetic fields such as geomagnetic field and sunspots and on the occurrence of flow by magnetic fields in planetary and fusion phenomena. (author)

  10. Modeling background radiation using geochemical data: A case study in and around Cameron, Arizona.

    Science.gov (United States)

    Marsac, Kara E; Burnley, Pamela C; Adcock, Christopher T; Haber, Daniel A; Malchow, Russell L; Hausrath, Elisabeth M

    2016-12-01

    This study compares high resolution forward models of natural gamma-ray background with that measured by high resolution aerial gamma-ray surveys. The ability to predict variations in natural background radiation levels should prove useful for those engaged in measuring anthropogenic contributions to background radiation for the purpose of emergency response and homeland security operations. The forward models are based on geologic maps and remote sensing multi-spectral imagery combined with two different sources of data: 1) bedrock geochemical data (uranium, potassium and thorium concentrations) collected from national databases, the scientific literature and private companies, and 2) the low spatial resolution NURE (National Uranium Resource Evaluation) aerial gamma-ray survey. The study area near Cameron, Arizona, is located in an arid region with minimal vegetation and, due to the presence of abandoned uranium mines, was the subject of a previous high resolution gamma-ray survey. We found that, in general, geologic map units form a good basis for predicting the geographic distribution of the gamma-ray background. Predictions of background gamma-radiation levels based on bedrock geochemical analyses were not as successful as those based on the NURE aerial survey data sorted by geologic unit. The less successful result of the bedrock geochemical model is most likely due to a number of factors including the need to take into account the evolution of soil geochemistry during chemical weathering and the influence of aeolian addition. Refinements to the forward models were made using ASTER visualizations to create subunits of similar exposure rate within the Chinle Formation, which contains multiple lithologies and by grouping alluvial units by drainage basin rather than age. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  11. A self-consistent spin-diffusion model for micromagnetics

    KAUST Repository

    Abert, Claas; Ruggeri, Michele; Bruckner, Florian; Vogler, Christoph; Manchon, Aurelien; Praetorius, Dirk; Suess, Dieter

    2016-01-01

    We propose a three-dimensional micromagnetic model that dynamically solves the Landau-Lifshitz-Gilbert equation coupled to the full spin-diffusion equation. In contrast to previous methods, we solve for the magnetization dynamics and the electric potential in a self-consistent fashion. This treatment allows for an accurate description of magnetization dependent resistance changes. Moreover, the presented algorithm describes both spin accumulation due to smooth magnetization transitions and due to material interfaces as in multilayer structures. The model and its finite-element implementation are validated by current driven motion of a magnetic vortex structure. In a second experiment, the resistivity of a magnetic multilayer structure in dependence of the tilting angle of the magnetization in the different layers is investigated. Both examples show good agreement with reference simulations and experiments respectively.

  12. Self-consistent modeling of amorphous silicon devices

    International Nuclear Information System (INIS)

    Hack, M.

    1987-01-01

    The authors developed a computer model to describe the steady-state behaviour of a range of amorphous silicon devices. It is based on the complete set of transport equations and takes into account the important role played by the continuous distribution of localized states in the mobility gap of amorphous silicon. Using one set of parameters they have been able to self-consistently simulate the current-voltage characteristics of p-i-n (or n-i-p) solar cells under illumination, the dark behaviour of field-effect transistors, p-i-n diodes and n-i-n diodes in both the ohmic and space charge limited regimes. This model also describes the steady-state photoconductivity of amorphous silicon, in particular, its dependence on temperature, doping and illumination intensity

  13. A self-consistent spin-diffusion model for micromagnetics

    KAUST Repository

    Abert, Claas

    2016-12-17

    We propose a three-dimensional micromagnetic model that dynamically solves the Landau-Lifshitz-Gilbert equation coupled to the full spin-diffusion equation. In contrast to previous methods, we solve for the magnetization dynamics and the electric potential in a self-consistent fashion. This treatment allows for an accurate description of magnetization dependent resistance changes. Moreover, the presented algorithm describes both spin accumulation due to smooth magnetization transitions and due to material interfaces as in multilayer structures. The model and its finite-element implementation are validated by current driven motion of a magnetic vortex structure. In a second experiment, the resistivity of a magnetic multilayer structure in dependence of the tilting angle of the magnetization in the different layers is investigated. Both examples show good agreement with reference simulations and experiments respectively.

  14. Self-consistent modeling of electron cyclotron resonance ion sources

    International Nuclear Information System (INIS)

    Girard, A.; Hitz, D.; Melin, G.; Serebrennikov, K.; Lecot, C.

    2004-01-01

    In order to predict the performances of electron cyclotron resonance ion source (ECRIS), it is necessary to perfectly model the different parts of these sources: (i) magnetic configuration; (ii) plasma characteristics; (iii) extraction system. The magnetic configuration is easily calculated via commercial codes; different codes also simulate the ion extraction, either in two dimension, or even in three dimension (to take into account the shape of the plasma at the extraction influenced by the hexapole). However the characteristics of the plasma are not always mastered. This article describes the self-consistent modeling of ECRIS: we have developed a code which takes into account the most important construction parameters: the size of the plasma (length, diameter), the mirror ratio and axial magnetic profile, whether a biased probe is installed or not. These input parameters are used to feed a self-consistent code, which calculates the characteristics of the plasma: electron density and energy, charge state distribution, plasma potential. The code is briefly described, and some of its most interesting results are presented. Comparisons are made between the calculations and the results obtained experimentally

  15. Self-consistent modeling of electron cyclotron resonance ion sources

    Science.gov (United States)

    Girard, A.; Hitz, D.; Melin, G.; Serebrennikov, K.; Lécot, C.

    2004-05-01

    In order to predict the performances of electron cyclotron resonance ion source (ECRIS), it is necessary to perfectly model the different parts of these sources: (i) magnetic configuration; (ii) plasma characteristics; (iii) extraction system. The magnetic configuration is easily calculated via commercial codes; different codes also simulate the ion extraction, either in two dimension, or even in three dimension (to take into account the shape of the plasma at the extraction influenced by the hexapole). However the characteristics of the plasma are not always mastered. This article describes the self-consistent modeling of ECRIS: we have developed a code which takes into account the most important construction parameters: the size of the plasma (length, diameter), the mirror ratio and axial magnetic profile, whether a biased probe is installed or not. These input parameters are used to feed a self-consistent code, which calculates the characteristics of the plasma: electron density and energy, charge state distribution, plasma potential. The code is briefly described, and some of its most interesting results are presented. Comparisons are made between the calculations and the results obtained experimentally.

  16. A self-consistent upward leader propagation model

    International Nuclear Information System (INIS)

    Becerra, Marley; Cooray, Vernon

    2006-01-01

    The knowledge of the initiation and propagation of an upward moving connecting leader in the presence of a downward moving lightning stepped leader is a must in the determination of the lateral attraction distance of a lightning flash by any grounded structure. Even though different models that simulate this phenomenon are available in the literature, they do not take into account the latest developments in the physics of leader discharges. The leader model proposed here simulates the advancement of positive upward leaders by appealing to the presently understood physics of that process. The model properly simulates the upward continuous progression of the positive connecting leaders from its inception to the final connection with the downward stepped leader (final jump). Thus, the main physical properties of upward leaders, namely the charge per unit length, the injected current, the channel gradient and the leader velocity are self-consistently obtained. The obtained results are compared with an altitude triggered lightning experiment and there is good agreement between the model predictions and the measured leader current and the experimentally inferred spatial and temporal location of the final jump. It is also found that the usual assumption of constant charge per unit length, based on laboratory experiments, is not valid for lightning upward connecting leaders

  17. Equilibrium geochemical modeling of a seasonal thermal energy storage aquifer field test

    Science.gov (United States)

    Stottlemyre, J. S.

    1980-01-01

    A geochemical mathematical modeling study designed to investigate the well plugging problems encountered at the Auburn University experimental field tests is summarized. The results, primarily of qualitative interest, include: (1) loss of injectivity was probably due to a combination of native particulate plugging and clay swelling and dispersion; (2) fluid-fluid incompatibilities, hydrothermal reactions, and oxidation reactions were of insignificant magnitude or too slow to have contributed markedly to the plugging; and (3) the potential for and contributions from temperature-induced dissolved gas solubility reductions, capillary boundary layer viscosity increases, and microstructural deformation cannot be deconvolved from the available data.

  18. EQ3/6 geochemical modeling task plan for Nevada Nuclear Waste Storage Investigations (NNWSI)

    Energy Technology Data Exchange (ETDEWEB)

    Isherwood, D.; Wolery, T.

    1984-04-10

    This task plan outlines work needed to upgrade the EQ3/6 geochemical code and expand the supporting data bases to allow the Nevada Nuclear Waste Storage Investigations (NNWSI) to model chemical processes important to the storage of nuclear waste in a tuff repository in the unsaturated zone. The plan covers the fiscal years 1984 to 1988. The scope of work includes the development of sub-models in the EQ3/6 code package for studying the effects of sorption, precipitation kinetics, redox disequilibrium, and radiolysis on radionuclide speciation and solubility. The work also includes a glass/water interactions model and a geochemical flow model which will allow us to study waste form leaching and reactions involving the waste package. A special emphasis is placed on verification of new capabilities as they are developed and code documentation to meet NRC requirements. Data base expansion includes the addition of elements and associated aqueous species and solid phases that are specific to nuclear waste (e.g., actinides and fission products) and the upgrading and documentation of the thermodynamic data for other species of interest.

  19. Classical and Quantum Consistency of the DGP Model

    CERN Document Server

    Nicolis, A; Nicolis, Alberto; Rattazzi, Riccardo

    2004-01-01

    We study the Dvali-Gabadadze-Porrati model by the method of the boundary effective action. The truncation of this action to the bending mode \\pi consistently describes physics in a wide range of regimes both at the classical and at the quantum level. The Vainshtein effect, which restores agreement with precise tests of general relativity, follows straightforwardly. We give a simple and general proof of stability, i.e. absence of ghosts in the fluctuations, valid for most of the relevant cases, like for instance the spherical source in asymptotically flat space. However we confirm that around certain interesting self-accelerating cosmological solutions there is a ghost. We consider the issue of quantum corrections. Around flat space \\pi becomes strongly coupled below a macroscopic length of 1000 km, thus impairing the predictivity of the model. Indeed the tower of higher dimensional operators which is expected by a generic UV completion of the model limits predictivity at even larger length scales. We outline ...

  20. Self-Consistent Dynamical Model of the Broad Line Region

    Energy Technology Data Exchange (ETDEWEB)

    Czerny, Bozena [Center for Theoretical Physics, Polish Academy of Sciences, Warsaw (Poland); Li, Yan-Rong [Key Laboratory for Particle Astrophysics, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing (China); Sredzinska, Justyna; Hryniewicz, Krzysztof [Copernicus Astronomical Center, Polish Academy of Sciences, Warsaw (Poland); Panda, Swayam [Center for Theoretical Physics, Polish Academy of Sciences, Warsaw (Poland); Copernicus Astronomical Center, Polish Academy of Sciences, Warsaw (Poland); Wildy, Conor [Center for Theoretical Physics, Polish Academy of Sciences, Warsaw (Poland); Karas, Vladimir, E-mail: bcz@cft.edu.pl [Astronomical Institute, Czech Academy of Sciences, Prague (Czech Republic)

    2017-06-22

    We develop a self-consistent description of the Broad Line Region based on the concept of a failed wind powered by radiation pressure acting on a dusty accretion disk atmosphere in Keplerian motion. The material raised high above the disk is illuminated, dust evaporates, and the matter falls back toward the disk. This material is the source of emission lines. The model predicts the inner and outer radius of the region, the cloud dynamics under the dust radiation pressure and, subsequently, the gravitational field of the central black hole, which results in asymmetry between the rise and fall. Knowledge of the dynamics allows us to predict the shapes of the emission lines as functions of the basic parameters of an active nucleus: black hole mass, accretion rate, black hole spin (or accretion efficiency) and the viewing angle with respect to the symmetry axis. Here we show preliminary results based on analytical approximations to the cloud motion.

  1. Self-Consistent Dynamical Model of the Broad Line Region

    Directory of Open Access Journals (Sweden)

    Bozena Czerny

    2017-06-01

    Full Text Available We develop a self-consistent description of the Broad Line Region based on the concept of a failed wind powered by radiation pressure acting on a dusty accretion disk atmosphere in Keplerian motion. The material raised high above the disk is illuminated, dust evaporates, and the matter falls back toward the disk. This material is the source of emission lines. The model predicts the inner and outer radius of the region, the cloud dynamics under the dust radiation pressure and, subsequently, the gravitational field of the central black hole, which results in asymmetry between the rise and fall. Knowledge of the dynamics allows us to predict the shapes of the emission lines as functions of the basic parameters of an active nucleus: black hole mass, accretion rate, black hole spin (or accretion efficiency and the viewing angle with respect to the symmetry axis. Here we show preliminary results based on analytical approximations to the cloud motion.

  2. Consistent constraints on the Standard Model Effective Field Theory

    International Nuclear Information System (INIS)

    Berthier, Laure; Trott, Michael

    2016-01-01

    We develop the global constraint picture in the (linear) effective field theory generalisation of the Standard Model, incorporating data from detectors that operated at PEP, PETRA, TRISTAN, SpS, Tevatron, SLAC, LEPI and LEP II, as well as low energy precision data. We fit one hundred and three observables. We develop a theory error metric for this effective field theory, which is required when constraints on parameters at leading order in the power counting are to be pushed to the percent level, or beyond, unless the cut off scale is assumed to be large, Λ≳ 3 TeV. We more consistently incorporate theoretical errors in this work, avoiding this assumption, and as a direct consequence bounds on some leading parameters are relaxed. We show how an S,T analysis is modified by the theory errors we include as an illustrative example.

  3. Thermodynamically consistent mesoscopic model of the ferro/paramagnetic transition

    Czech Academy of Sciences Publication Activity Database

    Benešová, Barbora; Kružík, Martin; Roubíček, Tomáš

    2013-01-01

    Roč. 64, Č. 1 (2013), s. 1-28 ISSN 0044-2275 R&D Projects: GA AV ČR IAA100750802; GA ČR GA106/09/1573; GA ČR GAP201/10/0357 Grant - others:GA ČR(CZ) GA106/08/1397; GA MŠk(CZ) LC06052 Program:GA; LC Institutional support: RVO:67985556 Keywords : ferro-para-magnetism * evolution * thermodynamics Subject RIV: BA - General Mathematics; BA - General Mathematics (UT-L) Impact factor: 1.214, year: 2013 http://library.utia.cas.cz/separaty/2012/MTR/kruzik-thermodynamically consistent mesoscopic model of the ferro-paramagnetic transition.pdf

  4. Simulation of reactive geochemical transport in groundwater using a semi-analytical screening model

    Science.gov (United States)

    McNab, Walt W.

    1997-10-01

    A reactive geochemical transport model, based on a semi-analytical solution to the advective-dispersive transport equation in two dimensions, is developed as a screening tool for evaluating the impact of reactive contaminants on aquifer hydrogeochemistry. Because the model utilizes an analytical solution to the transport equation, it is less computationally intensive than models based on numerical transport schemes, is faster, and it is not subject to numerical dispersion effects. Although the assumptions used to construct the model preclude consideration of reactions between the aqueous and solid phases, thermodynamic mineral saturation indices are calculated to provide qualitative insight into such reactions. Test problems involving acid mine drainage and hydrocarbon biodegradation signatures illustrate the utility of the model in simulating essential hydrogeochemical phenomena.

  5. Coupled geochemical/hydrogeological modelling to assess the origin of salinity at the Tono area (Japan)

    International Nuclear Information System (INIS)

    Guimera, Jordi; Ruiz, Eduardo; Luna, Miguel; Arcos, David; Jordana, Salvador; Saegusa, Hiromitsu

    2005-01-01

    Numerical models are powerful tools for the characterization of groundwater flow, especially when integrating geochemical and hydrogeological data. This paper describes modeling exercises performed in the area surrounding the Mizunami Underground Research Laboratory (MIU) Construction Site in central Japan. A particular issue being investigated at the MIU Site is the presence of saline water detected at depth in certain boreholes. The main objective of this study is to develop conceptual physical models for the origin of this salinity and to test these conceptual models using numerical modeling techniques. One scenario being investigated is that the saline fluids represent residual Miocene age seawater which has been slightly altered by water-rock interactions. It is likely that during Miocene times, seawater inundated the Tono area. This hypothesis is partially supported by carbon and oxygen isotopic data of the calcite fracture filling materials. (author)

  6. Leaching of chromium from chromium contaminated soil: Speciation study and geochemical modeling

    Directory of Open Access Journals (Sweden)

    Anđelković Darko H.

    2012-01-01

    Full Text Available Distribution of chromium between soil and leachate was monitored. A natural process of percolating rainwater through the soil was simulated in the laboratory conditions and studied with column leaching extraction. Migration of chromium in the soil is conditioned by the level of chromium soil contamination, the soil organic matter content, and rainwater acidity. Chromium (III and chromium(VI were determined by spectrophotometric method with diphenilcarbazide in acidic media. Comparing the results of chromium speciation in leachate obtained by experimental model systems and geochemical modelling calculations using Visual MINTEQ model, a correlation was observed regarding the influence of the tested parameters. Leachate solutions showed that the concentration of Cr depended on the organic matter content. The influence of pH and soil organic matter content is in compliance after its definition through experimental and theoretical way. The computer model - Stockholm Humic Model used to evaluate the leaching results corresponded rather well with the measured values.

  7. Creation of Consistent Burn Wounds: A Rat Model

    Directory of Open Access Journals (Sweden)

    Elijah Zhengyang Cai

    2014-07-01

    Full Text Available Background Burn infliction techniques are poorly described in rat models. An accurate study can only be achieved with wounds that are uniform in size and depth. We describe a simple reproducible method for creating consistent burn wounds in rats. Methods Ten male Sprague-Dawley rats were anesthetized and dorsum shaved. A 100 g cylindrical stainless-steel rod (1 cm diameter was heated to 100℃ in boiling water. Temperature was monitored using a thermocouple. We performed two consecutive toe-pinch tests on different limbs to assess the depth of sedation. Burn infliction was limited to the loin. The skin was pulled upwards, away from the underlying viscera, creating a flat surface. The rod rested on its own weight for 5, 10, and 20 seconds at three different sites on each rat. Wounds were evaluated for size, morphology and depth. Results Average wound size was 0.9957 cm2 (standard deviation [SD] 0.1845 (n=30. Wounds created with duration of 5 seconds were pale, with an indistinct margin of erythema. Wounds of 10 and 20 seconds were well-defined, uniformly brown with a rim of erythema. Average depths of tissue damage were 1.30 mm (SD 0.424, 2.35 mm (SD 0.071, and 2.60 mm (SD 0.283 for duration of 5, 10, 20 seconds respectively. Burn duration of 5 seconds resulted in full-thickness damage. Burn duration of 10 seconds and 20 seconds resulted in full-thickness damage, involving subjacent skeletal muscle. Conclusions This is a simple reproducible method for creating burn wounds consistent in size and depth in a rat burn model.

  8. Arsenic mobilization in an oxidizing alkaline groundwater: Experimental studies, comparison and optimization of geochemical modeling parameters

    International Nuclear Information System (INIS)

    Hafeznezami, Saeedreza; Lam, Jacquelyn R.; Xiang, Yang; Reynolds, Matthew D.; Davis, James A.; Lin, Tiffany; Jay, Jennifer A.

    2016-01-01

    Arsenic (As) mobilization and contamination of groundwater affects millions of people worldwide. Progress in developing effective in-situ remediation schemes requires the incorporation of data from laboratory experiments and field samples into calibrated geochemical models. In an oxidizing aquifer where leaching of high pH industrial waste from unlined surface impoundments led to mobilization of naturally occurring As up to 2 mg L −1 , sequential extractions of solid phase As as well as, batch sediment microcosm experiments were conducted to understand As partitioning and solid-phase sorptive and buffering capacity. These data were combined with field data to create a series of geochemical models of the system with modeling programs PHREEQC and FITEQL. Different surface complexation modeling approaches, including component additivity (CA), generalized composite (GC), and a hybrid method were developed, compared and fitted to data from batch acidification experiments to simulate potential remediation scenarios. Several parameters strongly influence the concentration of dissolved As including pH, presence of competing ions (particularly phosphate) and the number of available sorption sites on the aquifer solids. Lowering the pH of groundwater to 7 was found to have a variable, but limited impact (<63%) on decreasing the concentration of dissolved As. The models indicate that in addition to lowering pH, decreasing the concentration of dissolved phosphate and/or increasing the number of available sorption sites could significantly decrease the As solubility to levels below 10 μg L −1 . The hybrid and GC modeling results fit the experimental data well (NRMSE<10%) with reasonable effort and can be implemented in further studies for validation. - Highlights: • Samples were collected from an oxidizing aquifer where high pH waste has led to mobilization of naturally occurring As. • Three surface complexation modeling approaches were used in modeling adsorption

  9. Bayesian calibration of thermodynamic parameters for geochemical speciation modeling of cementitious materials

    International Nuclear Information System (INIS)

    Sarkar, S.; Kosson, D.S.; Mahadevan, S.; Meeussen, J.C.L.; Sloot, H. van der; Arnold, J.R.; Brown, K.G.

    2012-01-01

    Chemical equilibrium modeling of cementitious materials requires aqueous–solid equilibrium constants of the controlling mineral phases (K sp ) and the available concentrations of primary components. Inherent randomness of the input and model parameters, experimental measurement error, the assumptions and approximations required for numerical simulation, and inadequate knowledge of the chemical process contribute to uncertainty in model prediction. A numerical simulation framework is developed in this paper to assess uncertainty in K sp values used in geochemical speciation models. A Bayesian statistical method is used in combination with an efficient, adaptive Metropolis sampling technique to develop probability density functions for K sp values. One set of leaching experimental observations is used for calibration and another set is used for comparison to evaluate the applicability of the approach. The estimated probability distributions of K sp values can be used in Monte Carlo simulation to assess uncertainty in the behavior of aqueous–solid partitioning of constituents in cement-based materials.

  10. Uncertainty in geochemical modelling of CO2 and calcite dissolution in NaCl solutions due to different modelling codes and thermodynamic databases

    International Nuclear Information System (INIS)

    Haase, Christoph; Dethlefsen, Frank; Ebert, Markus; Dahmke, Andreas

    2013-01-01

    Highlights: • CO 2 and calcite dissolution is calculated. • The codes PHREEQC, Geochemist’s Workbench, EQ3/6, and FactSage are used. • Comparison with Duan and Li (2008) shows lowest deviation using phreeqc.dat and wateq4f.dat. • Using Pitzer databases does not improve accurate calculations. • Uncertainty in dissolved CO 2 is largest using the geochemical models. - Abstract: A prognosis of the geochemical effects of CO 2 storage induced by the injection of CO 2 into geologic reservoirs or by CO 2 leakage into the overlaying formations can be performed by numerical modelling (non-invasive) and field experiments. Until now the research has been focused on the geochemical processes of the CO 2 reacting with the minerals of the storage formation, which mostly consists of quartzitic sandstones. Regarding the safety assessment the reactions between the CO 2 and the overlaying formations in the case of a CO 2 leakage are of equal importance as the reactions in the storage formation. In particular, limestone formations can react very sensitively to CO 2 intrusion. The thermodynamic parameters necessary to model these reactions are not determined explicitly through experiments at the total range of temperature and pressure conditions and are thus extrapolated by the simulation code. The differences in the calculated results lead to different calcite and CO 2 solubilities and can influence the safety issues. This uncertainty study is performed by comparing the computed results, applying the geochemical modelling software codes The Geochemist’s Workbench, EQ3/6, PHREEQC and FactSage/ChemApp and their thermodynamic databases. The input parameters (1) total concentration of the solution, (2) temperature and (3) fugacity are varied within typical values for CO 2 reservoirs, overlaying formations and close-to-surface aquifers. The most sensitive input parameter in the system H 2 O–CO 2 –NaCl–CaCO 3 for the calculated range of dissolved calcite and CO 2 is the

  11. Fluid-rock geochemical interaction for modelling calibration in geothermal exploration in Indonesia

    Science.gov (United States)

    Deon, Fiorenza; Barnhoorn, Auke; Lievens, Caroline; Ryannugroho, Riskiray; Imaro, Tulus; Bruhn, David; van der Meer, Freek; Hutami, Rizki; Sibarani, Besteba; Sule, Rachmat; Saptadij, Nenny; Hecker, Christoph; Appelt, Oona; Wilke, Franziska

    2017-04-01

    Indonesia with its large, but partially unexplored geothermal potential is one of the most interesting and suitable places in the world to conduct geothermal exploration research. This study focuses on geothermal exploration based on fluid-rock geochemistry/geomechanics and aims to compile an overview on geochemical data-rock properties from important geothermal fields in Indonesia. The research carried out in the field and in the laboratory is performed in the framework of the GEOCAP cooperation (Geothermal Capacity Building program Indonesia- the Netherlands). The application of petrology and geochemistry accounts to a better understanding of areas where operating power plants exist but also helps in the initial exploration stage of green areas. Because of their relevance and geological setting geothermal fields in Java, Sulawesi and the sedimentary basin of central Sumatra have been chosen as focus areas of this study. Operators, universities and governmental agencies will benefit from this approach as it will be applied also to new green-field terrains. By comparing the characteristic of the fluids, the alteration petrology and the rock geochemistry we also aim to contribute to compile an overview of the geochemistry of the important geothermal fields in Indonesia. At the same time the rock petrology and fluid geochemistry will be used as input data to model the reservoir fluid composition along with T-P parameters with the geochemical workbench PHREEQC. The field and laboratory data are mandatory for both the implementation and validation of the model results.

  12. Consistent model reduction of polymer chains in solution in dissipative particle dynamics: Model description

    KAUST Repository

    Moreno Chaparro, Nicolas; Nunes, Suzana Pereira; Calo, Victor M.

    2015-01-01

    considerations we explicitly account for the correlation between beads in fine-grained DPD models and consistently represent the effect of these correlations in a reduced model, in a practical and simple fashion via power laws and the consistent scaling

  13. Geochemical modelling of bentonite porewater in high-level waste repositories

    Science.gov (United States)

    Wersin, Paul

    2003-03-01

    The description of the geochemical properties of the bentonite backfill that serves as engineered barrier for nuclear repositories is a central issue for perfomance assessment since these play a large role in determining the fate of contaminants released from the waste. In this study the porewater chemistry of bentonite was assessed with a thermodynamic modelling approach that includes ion exchange, surface complexation and mineral equilibrium reactions. The focus was to identify the geochemical reactions controlling the major ion chemistry and acid-base properties and to explore parameter uncertainties specifically at high compaction degrees. First, the adequacy of the approach was tested with two distinct surface complexation models by describing recent experimental data performed at highly varying solid/liquid ratios and ionic strengths. The results indicate adequate prediction of the entire experimental data set. Second, the modelling was extended to repository conditions, taking as an example the current Swiss concept for high-level waste where the compacted bentonite backfill is surrounded by argillaceous rock. The main reactions controlling major ion chemistry were found to be calcite equilibrium and concurrent Na-Ca exchange reactions and de-protonation of functional surface groups. Third, a sensitivity analysis of the main model parameters was performed. The results thereof indicate a remarkable robustness of the model with regard to parameter uncertainties. The bentonite system is characterised by a large acid-base buffering capacity which leads to stable pH-conditions. The uncertainty in pH was found to be mainly induced by the pCO 2 of the surrounding host rock. The results of a simple diffusion-reaction model indicate only minor changes of porewater composition with time, which is primarily due to the geochemical similarities of the bentonite and the argillaceous host rock. Overall, the results show the usefulness of simple thermodynamic models to

  14. The EQ3/6 software package for geochemical modeling: Current status

    International Nuclear Information System (INIS)

    Worlery, T.J.; Jackson, K.J.; Bourcier, W.L.; Bruton, C.J.; Viani, B.E.; Knauss, K.G.; Delany, J.M.

    1988-07-01

    EQ3/6 is a software package for modeling chemical and mineralogic interactions in aqueous geochemical systems. The major components of the package are EQ3NR (a speciation-solubility code), EQ6 (a reaction path code), EQLIB (a supporting library), and a supporting thermodynamic data base. EQ3NR calculates aqueous speciation and saturation indices from analytical data. It can also be used to calculate compositions of buffer solutions for use in laboratory experiments. EQ6 computes reaction path models of both equilibrium step processes and kinetic reaction processes. These models can be computed for closed systems and relatively simple open systems. EQ3/6 is useful in making purely theoretical calculations, in designing, interpreting, and extrapolating laboratory experiments, and in testing and developing submodels and supporting data used in these codes. The thermodynamic data base supports calculations over the range 0-300 degree C. 60 refs., 2 figs

  15. The EQ3/6 software package for geochemical modeling: Current status

    Energy Technology Data Exchange (ETDEWEB)

    Wolery, T.J.; Jackson, K.J.; Bourcier, W.L.; Bruton, C.J.; Viani, B.E.; Knauss, K.G.; Delany, J.M.

    1988-07-01

    EQ3/6 is a software package for modeling chemical and mineralogic interactions in aqueous geochemical systems. The major components of the package are EQ3NR (a speciation-solubility code), EQ6 (a reaction path code), EQLIB (a supporting library), and a supporting thermodynamic data base. EQ3NR calculates aqueous speciation and saturation indices from analytical data. It can also be used to calculate compositions of buffer solutions for use in laboratory experiments. EQ6 computes reaction path models of both equilibrium step processes and kinetic reaction processes. These models can be computed for closed systems and relatively simple open systems. EQ3/6 is useful in making purely theoretical calculations, in designing, interpreting, and extrapolating laboratory experiments, and in testing and developing submodels and supporting data used in these codes. The thermodynamic data base supports calculations over the range 0-300{degree}C. 60 refs., 2 figs.

  16. Arsenic in groundwater of the Red River floodplain, Vietnam: Controlling geochemical processes and reactive transport modeling

    DEFF Research Database (Denmark)

    Postma, Diederik Jan; Larsen, Flemming; Hue, N.T.M.

    2007-01-01

    The mobilization of arsenic (As) to the groundwater was studied in a shallow Holocene aquifer on the Red River flood plain near Hanoi, Vietnam. The groundwater chemistry was investigated in a transect of 100 piezometers. Results show an anoxic aquifer featuring organic carbon decomposition......(III) but some As(V) is always found. Arsenic correlates well with NH4, relating its release to organic matter decomposition and the source of As appears to be the Fe-oxides being reduced. Part of the produced Fe(II) is apparently reprecipitated as siderite containing less As. Results from sediment extraction...... chemistry over depth is homogeneous and a reactive transport model was constructed to quantify the geochemical processes along the vertical groundwater flow component. A redox zonation model was constructed using the partial equilibrium approach with organic carbon degradation in the sediment as the only...

  17. Self-consistent Modeling of Elastic Anisotropy in Shale

    Science.gov (United States)

    Kanitpanyacharoen, W.; Wenk, H.; Matthies, S.; Vasin, R.

    2012-12-01

    Elastic anisotropy in clay-rich sedimentary rocks has increasingly received attention because of significance for prospecting of petroleum deposits, as well as seals in the context of nuclear waste and CO2 sequestration. The orientation of component minerals and pores/fractures is a critical factor that influences elastic anisotropy. In this study, we investigate lattice and shape preferred orientation (LPO and SPO) of three shales from the North Sea in UK, the Qusaiba Formation in Saudi Arabia, and the Officer Basin in Australia (referred to as N1, Qu3, and L1905, respectively) to calculate elastic properties and compare them with experimental results. Synchrotron hard X-ray diffraction and microtomography experiments were performed to quantify LPO, weight proportions, and three-dimensional SPO of constituent minerals and pores. Our preliminary results show that the degree of LPO and total amount of clays are highest in Qu3 (3.3-6.5 m.r.d and 74vol%), moderately high in N1 (2.4-5.6 m.r.d. and 70vol%), and lowest in L1905 (2.3-2.5 m.r.d. and 42vol%). In addition, porosity in Qu3 is as low as 2% while it is up to 6% in L1605 and 8% in N1, respectively. Based on this information and single crystal elastic properties of mineral components, we apply a self-consistent averaging method to calculate macroscopic elastic properties and corresponding seismic velocities for different shales. The elastic model is then compared with measured acoustic velocities on the same samples. The P-wave velocities measured from Qu3 (4.1-5.3 km/s, 26.3%Ani.) are faster than those obtained from L1905 (3.9-4.7 km/s, 18.6%Ani.) and N1 (3.6-4.3 km/s, 17.7%Ani.). By making adjustments for pore structure (aspect ratio) and single crystal elastic properties of clay minerals, a good agreement between our calculation and the ultrasonic measurement is obtained.

  18. Self-consistent modelling of resonant tunnelling structures

    DEFF Research Database (Denmark)

    Fiig, T.; Jauho, A.P.

    1992-01-01

    We report a comprehensive study of the effects of self-consistency on the I-V-characteristics of resonant tunnelling structures. The calculational method is based on a simultaneous solution of the effective-mass Schrödinger equation and the Poisson equation, and the current is evaluated...... applied voltages and carrier densities at the emitter-barrier interface. We include the two-dimensional accumulation layer charge and the quantum well charge in our self-consistent scheme. We discuss the evaluation of the current contribution originating from the two-dimensional accumulation layer charges......, and our qualitative estimates seem consistent with recent experimental studies. The intrinsic bistability of resonant tunnelling diodes is analyzed within several different approximation schemes....

  19. Geophysical and geochemical models of the Earth's shields and rift zones

    International Nuclear Information System (INIS)

    Chung, D.H.

    1977-01-01

    This report summarizes a collection of, synthesis of, and speculation on the geophysical and geochemical models of the earth's stable shields and rift zones. Two basic crustal types, continental and oceanic, and two basic mantle types, stable and unstable, are described. It is pointed out that both the crust and upper mantle play a strongly interactive role with surface geological phenomena ranging from the occurrence of mountains, ocean trenches, oceanic and continental rifts to geographic distributions of earthquakes, faults, and volcanoes. On the composition of the mantle, there is little doubt regarding the view that olivine constitutes a major fraction of the mineralogy of the earth's upper mantle. Studies are suggested to simulate the elasticity and composition of the earth's lower crust and upper mantle

  20. Geomechanical/Geochemical Modeling Studies Conducted within the International DECOVALEX Project

    International Nuclear Information System (INIS)

    Birkholzer, J.T.; Rutqvist, J.; Sonnenthal, E.L.; Barr, D.; Chijimatsu, M.; Kolditz, O.; Liu, Q.; Oda, Y.; Wang, W.; Xie, M.; Zhang, C.

    2005-01-01

    The DECOVALEX project is an international cooperative project initiated by SKI, the Swedish Nuclear Power Inspectorate, with participation of about 10 international organizations. The general goal of this project is to encourage multidisciplinary interactive and cooperative research on modeling coupled thermo-hydro-mechanical-chemical (THMC) processes in geologic formations in support of the performance assessment for underground storage of radioactive waste. One of the research tasks, initiated in 2004 by the U.S. Department of Energy (DOE), addresses the long-term impact of geomechanical and geochemical processes on the flow conditions near waste emplacement tunnels. Within this task, four international research teams conduct predictive analysis of the coupled processes in two generic repositories, using multiple approaches and different computer codes. Below, we give an overview of the research task and report its current status

  1. Geomechanical/Geochemical Modeling Studies Conducted Within the International DECOVALEX Project

    International Nuclear Information System (INIS)

    J.T. Birkholzer; J. Rutqvist; E.L. Sonnenthal; D. Barr; M.Chijimatsu; O. Kolditz; Q. Liu; Y. Oda; W. Wang; M. Xie; C. Zhang

    2006-01-01

    The DECOVALEX project is an international cooperative project initiated by SKI, the Swedish Nuclear Power Inspectorate, with participation of about 10 international organizations. The general goal of this project is to encourage multidisciplinary interactive and cooperative research on modeling coupled thermo-hydro-mechanical-chemical (THMC) processes in geologic formations in support of the performance assessment for underground storage of radioactive waste. One of the research tasks, initiated in 2004 by the U.S. Department of Energy (DOE), addresses the long-term impact of geomechanical and geochemical processes on the flow conditions near waste emplacement tunnels. Within this task, four international research teams conduct predictive analysis of the coupled processes in two generic repositories, using multiple approaches and different computer codes. Below, we give an overview of the research task and report its current status

  2. Self-consistent approach for neutral community models with speciation

    NARCIS (Netherlands)

    Haegeman, Bart; Etienne, Rampal S.

    Hubbell's neutral model provides a rich theoretical framework to study ecological communities. By incorporating both ecological and evolutionary time scales, it allows us to investigate how communities are shaped by speciation processes. The speciation model in the basic neutral model is

  3. Exotic nuclei in self-consistent mean-field models

    International Nuclear Information System (INIS)

    Bender, M.; Rutz, K.; Buervenich, T.; Reinhard, P.-G.; Maruhn, J. A.; Greiner, W.

    1999-01-01

    We discuss two widely used nuclear mean-field models, the relativistic mean-field model and the (nonrelativistic) Skyrme-Hartree-Fock model, and their capability to describe exotic nuclei with emphasis on neutron-rich tin isotopes and superheavy nuclei. (c) 1999 American Institute of Physics

  4. Geochemical modelling of groundwater evolution and residence time at the Haestholmen site

    Energy Technology Data Exchange (ETDEWEB)

    Pitkaenen, P.; Luukkonen, A. [VTT Communities and Infrastructure, Espoo (Finland); Ruotsalainen, P. [Fintact Oy, Helsinki (Finland); Leino- Forsman, H.; Vuorinen, U. [VTT Chemical Technology, Espoo (Finland)

    2001-01-01

    An understanding of the geochemical evolution of groundwater is an essential part of the performance assessment and safety analysis of the geological final disposal of radioactive waste. The performance of technical barriers and migration of possibly released radionuclides depend on the geochemical conditions. A prerequisite for understanding these factors is the ability to specify the water-rock interactions that control chemical conditions in groundwater. The objective of this study is to interpret the processes and factors that control the hydrogeochemistry, such as pH and redox conditions. A model of the hydrogeochemical progress in different parts of the crystalline bedrock at Haestholmen has been created and the significance of geochemical reactions and groundwater mixing along different flow paths calculated. Long term hydrodynamics have also been evaluated. The interpretation and modelling are based on water samples (64 altogether) obtained from precipitation, the Baltic Sea, the soil layer, shallow wells in the bedrock, and 14 deep boreholes in the bedrock for which a comprehensive data set on dissolved chemical species and isotopes was available. Some analyses of dissolved gases and their isotopic measurements were also utilised. The data covers the bedrock at Haestholmen to a depth of 1000 m. The results from groundwater chemistry, isotopes, petrography, hydrogeology of the site, geomicrobial studies, and PCA and speciation calculations were used to evaluate evolutionary processes at the site. The geochemical interpretation of water-rock interaction, isotope-chemical evolution ({delta}{sup 13}C and {delta}{sup 34}S) and mixing of palaeo-water types were approached by mass-balance calculations (NETPATH). Reaction-path calculations (EQ3/6) were used to verify the thermodynamic feasibility of the reaction models obtained. The interpretation and calculation of hydrochemical data from Haestholmen suggest that changes in external conditions, such as glaciation

  5. Solid phase evolution in the Biosphere 2 hillslope experiment as predicted by modeling of hydrologic and geochemical fluxes

    Directory of Open Access Journals (Sweden)

    K. Dontsova

    2009-12-01

    Full Text Available A reactive transport geochemical modeling study was conducted to help predict the mineral transformations occurring over a ten year time-scale that are expected to impact soil hydraulic properties in the Biosphere 2 (B2 synthetic hillslope experiment. The modeling sought to predict the rate and extent of weathering of a granular basalt (selected for hillslope construction as a function of climatic drivers, and to assess the feedback effects of such weathering processes on the hydraulic properties of the hillslope. Flow vectors were imported from HYDRUS into a reactive transport code, CrunchFlow2007, which was then used to model mineral weathering coupled to reactive solute transport. Associated particle size evolution was translated into changes in saturated hydraulic conductivity using Rosetta software. We found that flow characteristics, including velocity and saturation, strongly influenced the predicted extent of incongruent mineral weathering and neo-phase precipitation on the hillslope. Results were also highly sensitive to specific surface areas of the soil media, consistent with surface reaction controls on dissolution. Effects of fluid flow on weathering resulted in significant differences in the prediction of soil particle size distributions, which should feedback to alter hillslope hydraulic conductivities.

  6. The relationship of the Yucca Mountain repository block to the regional ground-water system: A geochemical model

    International Nuclear Information System (INIS)

    Matuska, N.A.; Hess, J.W.

    1989-08-01

    Yucca Mountain, in southern Nevada, is being studied by the Department of Energy and the State of Nevada as the site of a high-level nuclear waste repository. Geochemical and isotopic modeling were used in this study to define the relationship of the volcanic tuff aquifers and aquitards to the underlying regional carbonate ground-water system. The chemical evolution of a ground water as it passes through a hypothetical tuffaceous aquifer was developed using computer models PHREEQE, WATEQDR and BALANCE. The tuffaceous system was divided into five parts, with specific mineralogies, reaction steps and temperatures. The initial solution was an analysis of a soil water from Rainier Mesa. The ending solution in each part became the initial solution in the next part. Minerals consisted of zeolites, smectites, authigenic feldspars and quartz polymorphs from described diagentic mineral zones. Reaction steps were ion exchange with zeolites. The solution from the final zone, Part V, was chosen as most representative, in terms of pH, element molalities and mineral solubilities, of tuffaceous water. This hypothetical volcanic water from Part V was mixed with water from the regional carbonate aquifer, and the results compared to analyses of Yucca Mountain wells. Mixing and modeling attempts were conducted on wells in which studies indicated upward flow

  7. Is the island universe model consistent with observations?

    OpenAIRE

    Piao, Yun-Song

    2005-01-01

    We study the island universe model, in which initially the universe is in a cosmological constant sea, then the local quantum fluctuations violating the null energy condition create the islands of matter, some of which might corresponds to our observable universe. We examine the possibility that the island universe model is regarded as an alternative scenario of the origin of observable universe.

  8. Qualification of Thermodynamic Data for Geochemical Modeling of Mineral-Water Interactions in Dilute Systems

    International Nuclear Information System (INIS)

    T. J. Wolery; C.F. Jove-Colon

    2004-01-01

    The purpose of this analysis report is to qualify the thermochemical database data0.ymp.R2 (DTN: MO0302SPATHDYN.000 [DIRS 161756], qualified by this report) and supporting calculations (DTNs: MO0302SPATHDYN.001 [DIRS 161886], and MO0303SPASPEQ2.000 [DIRS 162278]), which were originally documented in ''Data Qualification: Update and Revision of the Geochemical Thermodynamic Database, Data0.ymp'' (Steinborn et al. 2003 [DIRS 161956]). This original document still serves as the record of development of the data0.ymp.R2 database (DTN: MO0302SPATHDYN.000 [DIRS 161756]). The data0.ymp.R2 thermodynamic database (DTN: MO0302SPATHDYN.000 [DIRS 161756]) was developed for use with software code EQ3/6 (EQ3/6 V8.0, STN: 10813-8.0-00) (BSC 2003 [DIRS 162228]) and software code EQ6 (EQ6 V7.2bLV, STN: 10075-7.2bLV-02) (BSC 2002 [DIRS 159731]) to conduct geochemical modeling of mineral-fluid interactions involving aqueous solutions (ionic strengths of up to one molal; see Section 6.5) and temperatures of up to 300 C along the liquid-vapor saturation curve of pure water. The data0.ymp.R2 database (DTN: MO0302SPATHDYN.000 [DIRS 161756]) is an update of the previously qualified predecessor database data0.ymp.R0 (DTN: MO0009THRMODYN.001 [DIRS 152576]). The scope of this report is limited to qualification of the updates, as well as identification and evaluation of certain errors and discrepancies as discussed

  9. Alligator Rivers Analogue project. Geochemical modelling of present-day groundwaters. Final Report - Volume 12

    Energy Technology Data Exchange (ETDEWEB)

    Sverjensky, D A [The John Hopkins Univ, Dept of Earth and Planetary Sciences, Baltimore (United States)

    1993-12-31

    The main purpose of this report is to summarize geochemical modeling studies of the present-day Koongarra groundwaters. Information on the present-day geochemistry and geochemical processes at Koongarra forms a basis for a present-day analogue for nuclear waste migration. The present-day analogue is built on studies of the mineralogy and petrology of the Koongarra deposit, and chemical analyses of present-day groundwaters from the deposit. The overall approach taken in the present study has been to carry out a series of aqueous speciation and state of saturation calculations, including chemical mass transfer calculations, to address the possible control over the chemistry of the present-day for the groundwaters at Koongarra. The most important implication of the present study for the migration of radionuclides is the strong role played by the water-rock interactions, both above and below the water table, influencing the overall chemical evolution of the groundwaters. Thus, the results show that the chemical evolution of waters is strongly controlled by the initial availability of CO{sub 2} and the mineral assemblage encountered, which together determine the major element evolution of the waters by controlling the pH. The relative rates of evolution of the pH and the oxidation state of the groundwaters are also critical to the mobility of uranium. The shallow Koongarra waters are sufficiently oxidising that they can dissolve and transport uranium even under acidic conditions. Under the more reducing condition of the deep groundwaters, is the pH level that permits uranium transport as carbonate complexes. However, if the oxidation state decreases to much lower levels, it would be expected that uranium become immobile. All the speciation and state of saturation calculations carried out in the present study are available from the author, on request 22 refs., 7 tabs., 18 figs.

  10. Alligator Rivers Analogue project. Geochemical modelling of present-day groundwaters. Final Report - Volume 12

    Energy Technology Data Exchange (ETDEWEB)

    Sverjensky, D. A. [The John Hopkins Univ, Dept of Earth and Planetary Sciences, Baltimore (United States)

    1992-12-31

    The main purpose of this report is to summarize geochemical modeling studies of the present-day Koongarra groundwaters. Information on the present-day geochemistry and geochemical processes at Koongarra forms a basis for a present-day analogue for nuclear waste migration. The present-day analogue is built on studies of the mineralogy and petrology of the Koongarra deposit, and chemical analyses of present-day groundwaters from the deposit. The overall approach taken in the present study has been to carry out a series of aqueous speciation and state of saturation calculations, including chemical mass transfer calculations, to address the possible control over the chemistry of the present-day for the groundwaters at Koongarra. The most important implication of the present study for the migration of radionuclides is the strong role played by the water-rock interactions, both above and below the water table, influencing the overall chemical evolution of the groundwaters. Thus, the results show that the chemical evolution of waters is strongly controlled by the initial availability of CO{sub 2} and the mineral assemblage encountered, which together determine the major element evolution of the waters by controlling the pH. The relative rates of evolution of the pH and the oxidation state of the groundwaters are also critical to the mobility of uranium. The shallow Koongarra waters are sufficiently oxidising that they can dissolve and transport uranium even under acidic conditions. Under the more reducing condition of the deep groundwaters, is the pH level that permits uranium transport as carbonate complexes. However, if the oxidation state decreases to much lower levels, it would be expected that uranium become immobile. All the speciation and state of saturation calculations carried out in the present study are available from the author, on request 22 refs., 7 tabs., 18 figs.

  11. Modelling of leaching and geochemical processes in an aged MSWIBA subbase layer

    Energy Technology Data Exchange (ETDEWEB)

    Bendz, David; Suer, Pascal; Sloot, Hans van der; Kosson, David; Flyhammar, Peter

    2009-07-15

    In a previous project, the accumulated effects of leaching and aging in a subbase layer of bottom ash in a test road were investigated. The test road were constructed in 1987 in Linkoeping, Sweden, and was in use until the start of the Vaendoera Q4-241 study in September 2003. The overall objective of the present study is to bring the evaluation of the previous project (Q4-241) further by taking advantage of the existing data, perform complementary laboratory experiments on four composite samples reflecting different degree of exposure to atmosphere and leaching. The specific objectives were to investigate: (i) what processes and mineral phases that govern leaching of macro- and trace elements and DOC in the bottom ash after 16 years (1987- 2003) of aging under field conditions. (ii) how the hydrologic conditions, infiltration of water and leachate production has evolved with time. The following tests were performed on the composite samples: pH-stat test, column test, Fe/Al oxide extraction and TOC fractioning. Geochemical and hydrological modelling where performed with LeachXS/Orchestra and Hydrus 2-D. Daily precipitation data from the Swedish Meteorological and Hydrological Institute (SMHI) from the Malmslaett (Linkoeping) measurement station was used in the hydrological modelling of January 1988 to the 1st of september 2003. The hydraulic modeling results show that the bottom ash subbase layer endure seasonal wet and dry cycles. The results confirm that, depending on the boundary conditions along the shoulders the capillary potential may drive moisture either in or out of the road body. The water retention parameters for bottom ash were crucial in the hydraulic modeling and the capillary forces in bottom ash were found to be significant with a water retention curve close to silt. This explains the observed depletion of easily soluble salts in the test road. The results showed that the accumulated LS ratio for the bottom ash subbase layer reached about LS:10 in

  12. Probabilistic, sediment-geochemical parameterisation of the groundwater compartment of the Netherlands for spatially distributed, reactive transport modelling

    Science.gov (United States)

    Janssen, Gijs; Gunnink, Jan; van Vliet, Marielle; Goldberg, Tanya; Griffioen, Jasper

    2017-04-01

    Pollution of groundwater aquifers with contaminants as nitrate is a common problem. Reactive transport models are useful to predict the fate of such contaminants and to characterise the efficiency of mitigating or preventive measures. Parameterisation of a groundwater transport model on reaction capacity is a necessary step during building the model. Two Dutch, national programs are combined to establish a methodology for building a probabilistic model on reaction capacity of the groundwater compartment at the national scale: the Geological Survey program and the NHI Netherlands Hydrological Instrument program. Reaction capacity is considered as a series of geochemical characteristics that control acid/base condition, redox condition and sorption capacity. Five primary reaction capacity variables are characterised: 1. pyrite, 2. non-pyrite, reactive iron (oxides, siderite and glauconite), 3. clay fraction, 4. organic matter and 5. Ca-carbonate. Important reaction capacity variables that are determined by more than one solid compound are also deduced: 1. potential reduction capacity (PRC) by pyrite and organic matter, 2. cation-exchange capacity (CEC) by organic matter and clay content, 3. carbonate buffering upon pyrite oxidation (CPBO) by carbonate and pyrite. Statistical properties of these variables are established based on c. 16,000 sediment geochemical analyses. The first tens of meters are characterised based on 25 regions using combinations of lithological class and geological formation as strata. Because of both less data and more geochemical uniformity, the deeper subsurface is characterised in a similar way based on 3 regions. The statistical data is used as input in an algoritm that probabilistically calculates the reaction capacity per grid cell. First, the cumulative frequency distribution (cfd) functions are calculated from the statistical data for the geochemical strata. Second, all voxel cells are classified into the geochemical strata. Third, the

  13. Thermodynamically consistent description of criticality in models of correlated electrons

    Czech Academy of Sciences Publication Activity Database

    Janiš, Václav; Kauch, Anna; Pokorný, Vladislav

    2017-01-01

    Roč. 95, č. 4 (2017), s. 1-14, č. článku 045108. ISSN 2469-9950 R&D Projects: GA ČR GA15-14259S Institutional support: RVO:68378271 Keywords : conserving approximations * Anderson model * Hubbard model * parquet equations Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.836, year: 2016

  14. Consistent Evolution of Software Artifacts and Non-Functional Models

    Science.gov (United States)

    2014-11-14

    induce bad software performance)? 15. SUBJECT TERMS EOARD, Nano particles, Photo-Acoustic Sensors, Model-Driven Engineering ( MDE ), Software Performance...Università degli Studi dell’Aquila, Via Vetoio, 67100 L’Aquila, Italy Email: vittorio.cortellessa@univaq.it Web : http: // www. di. univaq. it/ cortelle/ Phone...Model-Driven Engineering ( MDE ), Software Performance Engineering (SPE), Change Propagation, Performance Antipatterns. For sake of readability of the

  15. Phase models of galaxies consisting of disk and halo

    International Nuclear Information System (INIS)

    Osipkov, L.P.; Kutuzov, S.A.

    1987-01-01

    A method of finding the phase density of a two-component model of mass distribution is developed. The equipotential surfaces and the potential law are given. The equipotentials are lenslike surfaces with a sharp edge in the equatorial plane, which provides the existence of an imbedded thin disk in halo. The equidensity surfaces of the halo coincide with the equipotentials. Phase models for the halo and the disk are constructed separately on the basis of spatial and surface mass densities by solving the corresponding integral equations. In particular the models for the halo with finite dimensions can be constructed. The even part of the phase density in respect to velocities is only found. For the halo it depends on the energy integral as a single argument

  16. Phase models of galaxies consisting of a disk and halo

    International Nuclear Information System (INIS)

    Osipkov, L.P.; Kutuzov, S.A.

    1988-01-01

    A method is developed for finding the phase density of a two-component model of a distribution of masses. The equipotential surfaces and potential law are given. The equipotentials are lenslike surfaces with a sharp edge in the equatorial plane, this ensuring the existence of a vanishingly thin embedded disk. The equidensity surfaces of the halo coincide with the equipotentials. Phase models are constructed separately for the halo and for the disk on the basis of the spatial and surface mass densities by the solution of the corresponding integral equations. In particular, models with a halo having finite dimensions can be constructed. For both components, the part of the phase density even with respect to the velocities is found. For the halo, it depends only on the energy integral. Two examples, for which exact solutions are found, are considered

  17. A thermodynamically consistent model of shape-memory alloys

    Czech Academy of Sciences Publication Activity Database

    Benešová, Barbora

    2011-01-01

    Roč. 11, č. 1 (2011), s. 355-356 ISSN 1617-7061 R&D Projects: GA ČR GAP201/10/0357 Institutional research plan: CEZ:AV0Z20760514 Keywords : slape memory alloys * model based on relaxation * thermomechanic coupling Subject RIV: BA - General Mathematics http://onlinelibrary.wiley.com/doi/10.1002/pamm.201110169/abstract

  18. A conceptual geochemical model of the geothermal system at Surprise Valley, CA

    Science.gov (United States)

    Fowler, Andrew P. G.; Ferguson, Colin; Cantwell, Carolyn A.; Zierenberg, Robert A.; McClain, James; Spycher, Nicolas; Dobson, Patrick

    2018-03-01

    Characterizing the geothermal system at Surprise Valley (SV), northeastern California, is important for determining the sustainability of the energy resource, and mitigating hazards associated with hydrothermal eruptions that last occurred in 1951. Previous geochemical studies of the area attempted to reconcile different hot spring compositions on the western and eastern sides of the valley using scenarios of dilution, equilibration at low temperatures, surface evaporation, and differences in rock type along flow paths. These models were primarily supported using classical geothermometry methods, and generally assumed that fluids in the Lake City mud volcano area on the western side of the valley best reflect the composition of a deep geothermal fluid. In this contribution, we address controls on hot spring compositions using a different suite of geochemical tools, including optimized multicomponent geochemistry (GeoT) models, hot spring fluid major and trace element measurements, mineralogical observations, and stable isotope measurements of hot spring fluids and precipitated carbonates. We synthesize the results into a conceptual geochemical model of the Surprise Valley geothermal system, and show that high-temperature (quartz, Na/K, Na/K/Ca) classical geothermometers fail to predict maximum subsurface temperatures because fluids re-equilibrated at progressively lower temperatures during outflow, including in the Lake City area. We propose a model where hot spring fluids originate as a mixture between a deep thermal brine and modern meteoric fluids, with a seasonally variable mixing ratio. The deep brine has deuterium values at least 3 to 4‰ lighter than any known groundwater or high-elevation snow previously measured in and adjacent to SV, suggesting it was recharged during the Pleistocene when meteoric fluids had lower deuterium values. The deuterium values and compositional characteristics of the deep brine have only been identified in thermal springs and

  19. Flood damage: a model for consistent, complete and multipurpose scenarios

    Science.gov (United States)

    Menoni, Scira; Molinari, Daniela; Ballio, Francesco; Minucci, Guido; Mejri, Ouejdane; Atun, Funda; Berni, Nicola; Pandolfo, Claudia

    2016-12-01

    Effective flood risk mitigation requires the impacts of flood events to be much better and more reliably known than is currently the case. Available post-flood damage assessments usually supply only a partial vision of the consequences of the floods as they typically respond to the specific needs of a particular stakeholder. Consequently, they generally focus (i) on particular items at risk, (ii) on a certain time window after the occurrence of the flood, (iii) on a specific scale of analysis or (iv) on the analysis of damage only, without an investigation of damage mechanisms and root causes. This paper responds to the necessity of a more integrated interpretation of flood events as the base to address the variety of needs arising after a disaster. In particular, a model is supplied to develop multipurpose complete event scenarios. The model organizes available information after the event according to five logical axes. This way post-flood damage assessments can be developed that (i) are multisectoral, (ii) consider physical as well as functional and systemic damage, (iii) address the spatial scales that are relevant for the event at stake depending on the type of damage that has to be analyzed, i.e., direct, functional and systemic, (iv) consider the temporal evolution of damage and finally (v) allow damage mechanisms and root causes to be understood. All the above features are key for the multi-usability of resulting flood scenarios. The model allows, on the one hand, the rationalization of efforts currently implemented in ex post damage assessments, also with the objective of better programming financial resources that will be needed for these types of events in the future. On the other hand, integrated interpretations of flood events are fundamental to adapting and optimizing flood mitigation strategies on the basis of thorough forensic investigation of each event, as corroborated by the implementation of the model in a case study.

  20. Geochemical model of uranium and selenium in an aquifer disturbed by in situ uranium mining

    International Nuclear Information System (INIS)

    Johnson, K.; Neumann, M.R.

    1986-01-01

    Restoring ground water to baseline conditions proved to be very difficult, however, and led to the trial of a sodium carbonate/bicarbonate lixiviant. Results of this test indicated the basic lixiviant was unable to address uranium tied up in carbonaceous material. Subsequently, the decision was made to curtail development and restore all affected ground water to the extent achievable through the use of the best practicable technology, such as reverse osmosis. Restoration results, however, were not considered adequate for demonstration of commercial restoration feasibility. Following completion of the restoration effort, regulatory agencies expressed concern as to the long-term fate of certain parameters, such as uranium and selenium, remaining in solution at above baseline levels. Rocky Mountain Energy, through discussions with various consultants, determined that geochemical modeling would be the most appropriate tool for predicting the probable long-term effects. This paper summarizes the results of the subsequent evaluation which was conducted using the PHREEQE computer model. Significant conclusions of the investigation were: (1) the Eh in the ground water decreases regularly after mining activities, as shown by measured Eh values, and (2) the accompanying decrease in uranium and selenium can be predicted by thermodynamic modeling

  1. The use of geochemical speciation modelling to predict the impact of uranium to freshwater biota

    International Nuclear Information System (INIS)

    Markich, S.J.; Brown, P.L.; Jeffree, R.A.

    1996-01-01

    Uranium is the prime potential contaminant in mine waste waters that may be released from the Ranger Uranium Mine (RUM) into the receiving waters of the Magela Creek, Alligator Rivers Region, Northern Australia. The potential ecological impact of the migration of uranium, that would result from an elevation in its concentration above background, in the Magela Creek downstream of the RUM, has been experimentally investigated by integrating biomonitoring with geochemical speciation modelling. The freshwater bivalve Velesunio angasi, abundant throughout the Magela Creek catchment, was exposed to a variety of uranium concentrations in a synthetic Magela Creek water, at four pH levels (5.0, 5.3, 5.5 and 6.0), in the presence (3.05 and 7.50 mg l -1 ) and absence of a model fulvic acid (FA), and its behavioural response was measured. Speciation modelling, using the HARPHRQ code, provided evidence that UO 2+ 2 and UO 2 OH + are the uranium species most responsible (ca. 96%) for eliciting an adverse behavioural response when UO 2+ 2 is assigned twice the toxic effect of UO 2 OH + . This finding rejects the notion that biota respond specifically to the sum total of inorganic uranyl species. (orig.)

  2. Preliminary integrated calculation of radionuclide cation and anion transport at Yucca Mountain using a geochemical model

    International Nuclear Information System (INIS)

    Birdsell, K.H.; Campbell, K.; Eggert, K.G.; Travis, B.J.

    1989-01-01

    This paper presents preliminary transport calculations for radionuclide movement at Yucca Mountain using preliminary data for mineral distributions, retardation parameter distributions, and hypothetical recharge scenarios. These calculations are not performance assessments, but are used to study the effectiveness of the geochemical barriers at the site at mechanistic level. The preliminary calculations presented have many shortcomings and should be viewed only as a demonstration of the modeling methodology. The simulations were run with TRACRN, a finite-difference porous flow and radionuclide transport code developed for the Yucca Mountain Project. Approximately 30,000 finite-difference nodes are used to represent the unsaturated and saturated zones underlying the repository in three dimensions. Sorption ratios for the radionuclides modeled are assumed to be functions of mineralogic assemblages of the underlying rock. These transport calculations present a representative radionuclide cation, 135 Cs and anion, 99 Tc. The effects on transport of many of the processes thought to be active at Yucca Mountain may be examined using this approach. The model provides a method for examining the integration of flow scenarios, transport, and retardation processes as currently understood for the site. It will also form the basis for estimates of the sensitivity of transport calculations to retardation processes. 11 refs., 17 figs., 1 tab

  3. A Geochemical Model of Fluids and Mineral Interactions for Deep Hydrocarbon Reservoirs

    Directory of Open Access Journals (Sweden)

    Jun Li

    2017-01-01

    Full Text Available A mutual solubility model for CO2-CH4-brine systems is constructed in this work as a fundamental research for applications of deep hydrocarbon exploration and production. The model is validated to be accurate for wide ranges of temperature (0–250°C, pressure (1–1500 bar, and salinity (NaCl molality from 0 to more than 6 mole/KgW. Combining this model with PHREEQC functionalities, CO2-CH4-brine-carbonate-sulfate equilibrium is calculated. From the calculations, we conclude that, for CO2-CH4-brine-carbonate systems, at deeper positions, magnesium is more likely to be dissolved in aqueous phase and calcite can be more stable than dolomite and, for CO2-CH4-brine-sulfate systems, with a presence of CH4, sulfate ions are likely to be reduced to S2− and H2S in gas phase could be released after S2− saturated in the solution. The hydrocarbon “souring” process could be reproduced from geochemical calculations in this work.

  4. The Role of Geochemical Modeling in Predicting Quality Evolution of Acid Mine Drainage

    Directory of Open Access Journals (Sweden)

    Andrea Šlesárová

    2004-12-01

    Full Text Available In recent years the massive reduction of raw materials production brings a wide scale of problems. Among the most frequent exposes of mining activities belong besides old spoil heaps and sludge lagoons, also the drainage of acidic and highly mineralized mine waters known as “the Acid Mine Drainage” (thereinafter AMD from old mine workings. The acid mine drainage presents to the surrounding environment a massive problem. These waters are toxic to the plant and animal life, including fishes and aquatic insects. The primary control of the drainage pH and the metal content is the exposure of sulphide minerals to weathering, the availability of atmospheric oxygen, and the sensitivity of non-sulphide minerals to buffer acidity. A geochemical modeling software is increasingly used to solve evolution of the complex chemical systems such as the interaction of acid mine drainage with wall rocks, migration of AMD components. Beyond the better computer facilities it allows to study of thermodynamic properties substances and to enlarge thermodynamic databases. A model is a simplified version of reality based on its observation and experiments. A goal of the modeling process is the tendency to better understand processes taking place inside of the system, the attempt to assume the system’s behaviour in the future or to predict the effect of changed conditions in the system’s environment on the system itself.

  5. Geochemical modelling of groundwater evolution and residence time at the Kivetty site

    Energy Technology Data Exchange (ETDEWEB)

    Pitkaenen, P.; Luukkonen, A. [VTT Communities and Infrastructure, Espoo (Finland); Ruotsalainen, P. [Fintact Oy, Helsinki (Finland); Leino-Forsman, H.; Vuorinen, U. [VTT Chemical Technology, Espoo (Finland)

    1998-12-01

    An understanding of the geochemical evolution of groundwater is an essential part of the performance assessment and safety analysis of the final disposal of radioactive waste into the bedrock. The performance of technical barriers and migration of possibly released radionuclides depend on chemical conditions. A prerequisite for understanding these factors is the ability to specify the water-rock interactions which control chemical conditions in groundwater. The objective of this study is to interpret the processes and factors which control the hydrogeochemistry, such as pH and redox conditions. A model of the hydrogeochemical progress in different parts of the bedrock at Kivetty has been created and the significance of chemical reactions along different flowpaths calculated. Long term hydrodynamics have also been evaluated. The interpretation and modelling are based on groundwater samples (38 altogether) obtained from the soil layer, shallow wells in the bedrock, and five deep multi-packered boreholes (KRI-KR5) in the bedrock for which a comprehensive data set on dissolved chemical species and isotopes was available. Some analyses of dissolved gases and their isotopic measurements were also utilised. The data covers the bedrock at Kivetty to a depth of 850m. The results from groundwater chemistry, isotopes, petrography, hydrogeology of the site, geomicrobial studies, and PCA and speciation calculations were used in the evaluation of evolutionary processes at the site. The geochemical interpretation of water-rock interaction, isotope-chemical evolution and C-14 age calculations of groundwater was given a mass-balance approach (NETPATH). Reaction-path calculations (EQ3/6) were used to verify the thermodynamic feasibility of the reaction models obtained. The hydrogeochemistry of Kivetty is characterised by evolution from low-saline-carbonate-rich recharge water towards Na-Ca-Cl-type water. The salinity remains low. The most important changes in the chemistry of the

  6. Geochemical modelling of groundwater evolution and residence time at the Kivetty site

    International Nuclear Information System (INIS)

    Pitkaenen, P.; Luukkonen, A.; Ruotsalainen, P.; Leino-Forsman, H.; Vuorinen, U.

    1998-12-01

    An understanding of the geochemical evolution of groundwater is an essential part of the performance assessment and safety analysis of the final disposal of radioactive waste into the bedrock. The performance of technical barriers and migration of possibly released radionuclides depend on chemical conditions. A prerequisite for understanding these factors is the ability to specify the water-rock interactions which control chemical conditions in groundwater. The objective of this study is to interpret the processes and factors which control the hydrogeochemistry, such as pH and redox conditions. A model of the hydrogeochemical progress in different parts of the bedrock at Kivetty has been created and the significance of chemical reactions along different flowpaths calculated. Long term hydrodynamics have also been evaluated. The interpretation and modelling are based on groundwater samples (38 altogether) obtained from the soil layer, shallow wells in the bedrock, and five deep multi-packered boreholes (KRI-KR5) in the bedrock for which a comprehensive data set on dissolved chemical species and isotopes was available. Some analyses of dissolved gases and their isotopic measurements were also utilised. The data covers the bedrock at Kivetty to a depth of 850m. The results from groundwater chemistry, isotopes, petrography, hydrogeology of the site, geomicrobial studies, and PCA and speciation calculations were used in the evaluation of evolutionary processes at the site. The geochemical interpretation of water-rock interaction, isotope-chemical evolution and C-14 age calculations of groundwater was given a mass-balance approach (NETPATH). Reaction-path calculations (EQ3/6) were used to verify the thermodynamic feasibility of the reaction models obtained. The hydrogeochemistry of Kivetty is characterised by evolution from low-saline-carbonate-rich recharge water towards Na-Ca-Cl-type water. The salinity remains low. The most important changes in the chemistry of the

  7. Full self-consistency versus quasiparticle self-consistency in diagrammatic approaches: exactly solvable two-site Hubbard model.

    Science.gov (United States)

    Kutepov, A L

    2015-08-12

    Self-consistent solutions of Hedin's equations (HE) for the two-site Hubbard model (HM) have been studied. They have been found for three-point vertices of increasing complexity (Γ = 1 (GW approximation), Γ1 from the first-order perturbation theory, and the exact vertex Γ(E)). Comparison is made between the cases when an additional quasiparticle (QP) approximation for Green's functions is applied during the self-consistent iterative solving of HE and when QP approximation is not applied. The results obtained with the exact vertex are directly related to the present open question-which approximation is more advantageous for future implementations, GW + DMFT or QPGW + DMFT. It is shown that in a regime of strong correlations only the originally proposed GW + DMFT scheme is able to provide reliable results. Vertex corrections based on perturbation theory (PT) systematically improve the GW results when full self-consistency is applied. The application of QP self-consistency combined with PT vertex corrections shows similar problems to the case when the exact vertex is applied combined with QP sc. An analysis of Ward Identity violation is performed for all studied in this work's approximations and its relation to the general accuracy of the schemes used is provided.

  8. Spectrally-consistent regularization modeling of turbulent natural convection flows

    International Nuclear Information System (INIS)

    Trias, F Xavier; Gorobets, Andrey; Oliva, Assensi; Verstappen, Roel

    2012-01-01

    The incompressible Navier-Stokes equations constitute an excellent mathematical modelization of turbulence. Unfortunately, attempts at performing direct simulations are limited to relatively low-Reynolds numbers because of the almost numberless small scales produced by the non-linear convective term. Alternatively, a dynamically less complex formulation is proposed here. Namely, regularizations of the Navier-Stokes equations that preserve the symmetry and conservation properties exactly. To do so, both convective and diffusive terms are altered in the same vein. In this way, the convective production of small scales is effectively restrained whereas the modified diffusive term introduces a hyperviscosity effect and consequently enhances the destruction of small scales. In practice, the only additional ingredient is a self-adjoint linear filter whose local filter length is determined from the requirement that vortex-stretching must stop at the smallest grid scale. In the present work, the performance of the above-mentioned recent improvements is assessed through application to turbulent natural convection flows by means of comparison with DNS reference data.

  9. On the internal consistency of holographic dark energy models

    International Nuclear Information System (INIS)

    Horvat, R

    2008-01-01

    Holographic dark energy (HDE) models, underpinned by an effective quantum field theory (QFT) with a manifest UV/IR connection, have become convincing candidates for providing an explanation of the dark energy in the universe. On the other hand, the maximum number of quantum states that a conventional QFT for a box of size L is capable of describing relates to those boxes which are on the brink of experiencing a sudden collapse to a black hole. Another restriction on the underlying QFT is that the UV cut-off, which cannot be chosen independently of the IR cut-off and therefore becomes a function of time in a cosmological setting, should stay the largest energy scale even in the standard cosmological epochs preceding a dark energy dominated one. We show that, irrespective of whether one deals with the saturated form of HDE or takes a certain degree of non-saturation in the past, the above restrictions cannot be met in a radiation dominated universe, an epoch in the history of the universe which is expected to be perfectly describable within conventional QFT

  10. Detecting and Quantifying Paleoseasonality in Stalagmites using Geochemical and Modelling Approaches

    Science.gov (United States)

    Baldini, J. U. L.

    2017-12-01

    Stalagmites are now well established sources of terrestrial paleoclimate information, providing insights into climate change on a variety of timescales. One of the most exciting aspects of stalagmites as climate archives is their ability to provide information regarding seasonality, a notoriously difficult component of climate change to characterise. However, stalagmite geochemistry may reflect not only the most apparent seasonal signal in external climate parameters, but also cave-specific signals such as seasonal changes in cave air carbon dioxide concentrations, sudden shifts in ventilation, and stochastic hydrological processes. Additionally, analytical bias may dampen or completely obfuscate any paleoseasonality, highlighting the need for appropriate quantification of this issue using simple models. Evidence from stalagmites now suggests that a seasonal signal is extractable from many samples, and that this signal can provide an important extra dimension to paleoclimate interpretations. Additionally, lower resolution annual- to decadal-scale isotope ratio records may also reflect shifts in seasonality, but identifying these is often challenging. Integrating geochemical datasets with models and cave monitoring data can greatly increase the accuracy of climate reconstructions, and yield the most robust records.

  11. Modeled near-field environment porosity modifications due to coupled thermohydrologic and geochemical processes

    International Nuclear Information System (INIS)

    Glassley, W. E.; Nitao, J. J.

    1998-01-01

    Heat deposited by waste packages in nuclear waste repositories can modify rock properties by instigating mineral dissolution and precipitation along hydrothermal flow pathways. Modeling this reactive transport requires coupling fluid flow to permeability changes resulting from dissolution and precipitation. Modification of the NUFT thermohydrologic (TH) code package to account for this coupling in a simplified geochemical system has been used to model the time- dependent change in porosity, permeability, matrix and fracture saturation, and temperature in the vicinity of waste-emplacement drifts, using conditions anticipated for the potential Yucca Mountain repository. The results show, within a few hundred years, dramatic porosity reduction approximately 10 m above emplacement drifts. Most of this reduction is attributed to deposition of solute load at the boiling front, although some of it also results from decreasing temperature along the flow path. The actual distribution of the nearly sealed region is sensitive to the time- dependent characteristics of the thermal load imposed on the environment and suggests that the geometry of the sealed region can be engineered by managing the waste-emplacement strategy

  12. Modelling of Pesticide Transport During An Injection Experiment In A Physical and Geochemical Heterogeneous Aquifer

    Science.gov (United States)

    Hojberg, A. L.; Engesgaard, P.; Bjerg, P. L.

    The fate of selected pesticides under natural groundwater conditions was studied by natural gradient short and long term injection experiments in a shallow uncon- fined aerobic aquifer. Bentazone, DNOC, MCPP, dichlorprop, isoproturon, and BAM (dichlobenil metabolite) were injected in aqueous solution with bromide as a nonre- active tracer. The Bromide and pesticide plumes were sampled during the initial 25 m of migration in a dense monitoring net of multilevel samplers. The aquifer was physical and geochemical heterogeneous, which affected transport of several of the pesticides. A 3D reactive transport code was developed including one- and two-site linear/nonlinear equilibrium/nonequilibrium sorption and first-order as well as single Monod degradation kinetic coupled to microbial growth. Model simulations demon- strated that microbial growth was likely supported by the phenoxy acids MCPP and dichlorprop, while degradation of DNOC was adequately described by first-order degradation with no initial lag time. An observed vertical increase in pH was observed at the site and implemented in the transport code. The numerical analysis indicated that degradation of the three degradable pesticides may have been affected by vertical pH variations. Spatial variability in observed DNOC sorption was similarly suspected to be an effect of varying pH. pH dependency on DNOC sorption was confirmed by the model recognized by a match to observed breakthrough at the individual sampling points, when pH variation was included in the simulations.

  13. Genesis and evolution of the fumaroles of vulcano (Aeolian Islands, Italy): a geochemical model

    Science.gov (United States)

    Carapezza, M.; Nuccio, P. M.; Valenza, M.

    1981-09-01

    A geochemical model explaining the presence of fumaroles having different gas composition and temperature at the top of the crater and along the northeastern coast of Vulcano island is proposed. A pressurized biphase (liquid-vapor) reservoir at the depth of about 2 km is hypothesized. Energy and mass balance sheets control P-T conditions in the system. P-T must vary along a boiling curve of brine as liquid is present. The CO2 content in the steam is governed by the thermodynamic properties of the fluids in the H2-NaCl-CO2 system. On the assumption that oxygen fugacity in the system is between the HM-FMQ oxygen buffers, observed SO2/H2S, CO2/CO, CO/CH4 ratios in the fumarolic gases at the Fossa crater appear in equilibrium with a temperature higher than that observed, such as may exist at depth. The more reduced gas phases present on the sea-side may result from re-equilibrium processes in shallower aquifers. The suggested model would help in monitoring changes in volcanic activity by analyzing fumarolic gases.

  14. Flow and geochemical modeling of drainage from Tomitaka mine, Miyazaki, Japan.

    Science.gov (United States)

    Yamaguchi, Kohei; Tomiyama, Shingo; Metugi, Hideya; Ii, Hiroyuki; Ueda, Akira

    2015-10-01

    The chemistry and flow of water in the abandoned Tomitaka mine of Miyazaki, western Japan were investigated. This mine is located in a non-ferrous metal deposit and acid mine drainage issues from it. The study was undertaken to estimate the quantities of mine drainage that needs to be treated in order to avoid acidification of local rivers, taking into account seasonal variations in rainfall. Numerical models aimed to reproduce observed water levels and fluxes and chemical variations of groundwater and mine drainage. Rock-water interactions that may explain the observed variations in water chemistry are proposed. The results show that: (1) rain water infiltrates into the deeper bedrock through a highly permeable zone formed largely by stopes that are partially filled with spoil from excavations (ore minerals and host rocks); (2) the water becomes acidic (pH from 3 to 4) as dissolved oxygen oxidizes pyrite; (3) along the flow path through the rocks, the redox potential of the water becomes reducing, such that pyrite becomes stable and pH of the mine drainage becomes neutral; and (4) upon leaving the mine, the drainage becomes acidic again due to oxidation of pyrite in the rocks. The present numerical model with considering of the geochemical characteristics can simulate the main variations in groundwater flow and water levels in and around the Tomitaka mine, and apply to the future treatment of the mine drainage. Copyright © 2015. Published by Elsevier B.V.

  15. Modeling of the geochemical behaviour and of the radionuclide transport in the presence of colloids

    International Nuclear Information System (INIS)

    Van der Lee, Jan

    1997-01-01

    Over the past ten years, colloids have been introduced in the already complex subject of waste storage safety analysis. They are indeed often considered as rapid carriers for otherwise insoluble radioactive elements, and therefore potentially decrease the effective barrier function of the geological rock surrounding the waste. The problem is therefore to understand colloid behaviour and quantify their stability and reactivity with respect to the radionuclides. The subject reveals three different levels of phenomena: the geochemical mechanisms, the micro-physical and electrostatic behaviour of colloids and the transport mechanisms. The topics of this thesis therefore cover a wide range of disciplines, such as geochemistry, radiochemistry, physics, hydrogeology, mathematics and computer science. Given the complexity of the subject, only strongly simplified models are used for safety assessment including the impact of colloids. Henceforth, the objective of this study is to provide a comprehensive theoretical basis for modelling the impact of colloids according to a deterministic approach, in the hope to pave the road towards predictive modelling of a waste repository performance. This thesis is the result of work carried out in different European Community projects in the framework of the fourth R and D program on 'Management and Storage of Radioactive Waste'. part A, task 4, 'Disposal of Radioactive Waste'. Grateful use has been made of many chemical and hydrogeological experiments carried out by many different laboratories all over Europe. The main results can be classified according to three principal topics: - geochemistry and the chemical behaviour of actinides, lanthanides and fission products; - retention mechanisms of colloidal particles; - transport mechanism in geological medium. The first topic is fundamental: geochemistry forms the basis of e.g. the retention model for aqueous and colloidal species. The principal result of this topic is

  16. Release of major elements from recycled concrete aggregates and geochemical modelling

    International Nuclear Information System (INIS)

    Engelsen, Christian J.; Sloot, Hans A. van der; Wibetoe, Grethe; Petkovic, Gordana; Stoltenberg-Hansson, Erik; Lund, Walter

    2009-01-01

    The pH dependent leaching characteristics were assessed for different types of recycled concrete aggregates, including real construction debris and crushed fresh concrete samples prepared in laboratory. Carbonation effects were identified from the characteristic pH dependent leaching patterns for the major constituents Al, Ca, Fe, Mg, Si and SO 4 2- . The original particle size ranges were different for the samples investigated and this factor influenced the cement paste content in the samples which in turn controlled the leachable contents. Cement paste contents for concrete samples with fine particle size fractions (0-4 mm) were found to be higher than the originally present amount in the hardened concrete. Geochemical speciation modelling was applied over the entire pH range using the speciation and transport modelling framework ORCHESTRA, for which mineral saturation, solution speciation and sorption processes can be calculated based on equilibrium models and thermodynamic data. The simulated equilibrium concentrations by this model agreed well with the respective measured concentrations. The main differences between the fresh and aged materials were quantified, described and predicted by the ORCHESTRA. Solubility controlling mineral phase assemblages were calculated by the model as function of pH. Cement hydrate phases such as calcium silicate hydrate, calcium aluminate hydrate (AFm and AFt) and hydrogarnet were predominating at the material pH. The concentration of carboaluminates was found to be strongly dependent on the available carbonates in the samples. As the pH was decreased these phases decomposed to more soluble species or precipitates were formed including iron- and aluminium hydroxides, wairakite and amorphous silica. In the most acid region most phases dissolved, and the major elements were approaching maximum leachability, which was determined by the amount of cement paste.

  17. Rock–water interactions and pollution processes in the volcanic aquifer system of Guadalajara, Mexico, using inverse geochemical modeling

    International Nuclear Information System (INIS)

    Morán-Ramírez, J.; Ledesma-Ruiz, R.; Mahlknecht, J.; Ramos-Leal, J.A.

    2016-01-01

    In order to understand and mitigate the deterioration of water quality in the aquifer system underlying Guadalajara metropolitan area, an investigation was performed developing geochemical evolution models for assessment of groundwater chemical processes. The models helped not only to conceptualize the groundwater geochemistry, but also to evaluate the relative influence of anthropogenic inputs and natural sources of salinity to the groundwater. Mixing processes, ion exchange, water–rock–water interactions and nitrate pollution and denitrification were identified and confirmed using mass-balance models constraint by information on hydrogeology, groundwater chemistry, lithology and stability of geochemical phases. The water–rock interactions in the volcanic setting produced a dominant Na−HCO_3 water type, followed by Na−Mg−Ca−HCO_3 and Na−Ca−HCO_3. For geochemical evolution modeling, flow sections were selected representing recharge and non-recharge processes and a variety of mixing conditions. Recharge processes are dominated by dissolution of soil CO_2 gas, calcite, gypsum, albite and biotite, and Ca/Na exchange. Non-recharge processes show that the production of carbonic acid and Ca/Na exchange are decreasing, while other minerals such as halite and amorphous SiO_2 are precipitated. The origin of nitrate pollution in groundwater are fertilizers in rural plots and wastewater and waste disposal in the urban area. This investigation may help water authorities to adequately address and manage groundwater contamination. - Highlights: • The Inverse geochemical modeling was used to study to processes occurring in a volcanic aquifer. • Three flow sections were selected to apply inverse hydrogeochemical modeling. • Three main groundwater flows were identified: a local, intermediate and regional flow. • The models show that in the study area that groundwater is mixed with local recharge. • In the south, the aquifer has thermal influence.

  18. Hydro-geochemical modeling of subalpine urbanized area: geochemical characterization of the shallow and deep aquifers of the urban district of Como (first results).

    Science.gov (United States)

    Terrana, Silvia; Brunamonte, Fabio; Frascoli, Francesca; Ferrario, Maria Francesca; Michetti, Alessandro Maria; Pozzi, Andrea; Gambillara, Roberto; Binda, Gilberto

    2016-04-01

    One of the greatest environmental and social-economics threats is climate change. This topic, in the next few years, will have a significant impact on the availability of water resources of many regions. This is compounded by the strong anthropization of water systems that shows an intensification of conflicts for water resource exploitation. Therefore, it is necessary a sustainable manage of natural resources thorough knowledge of the hosting territories. The development of investigation and data processing methods are essential to reduce costs for the suitable use and protection of resources. Identify a sample area for testing the best approach is crucial. This research aims to find a valid methodology for the characterization, modeling and management of subalpine urban aquifers, and the urban district of Como appears perfect. The city of Como is located at the southern end of the western sector of Lake Como (N Italy). It is a coastal town, placed on a small alluvial plain, therefore in close communication with the lake. The plain is drained by two streams, which are presently artificially buried, and have an underground flow path in the urban section till the mouth. This city area, so, is suitable for this project as it is intensely urbanized, its dimensions is not too extensive and it is characterized by two aquifers very important and little known. These are a shallow aquifer and a deep aquifer, which are important not only for any water supply, but also for the stability of the ground subsidence in the city. This research is also the opportunity to work in a particular well-known area with high scientific significance; however, there is complete absence of information regarding the deep aquifer. Great importance has also the chosen and used of the more powerful open source software for this type of area, such as PHREEQC, EnvironInsite, PHREEQE etc., used for geological and geochemical data processing. The main goal of this preliminary work is the

  19. Geochemical modeling and assessment of leaching from carbonated municipal solid waste incinerator (MSWI) fly ash.

    Science.gov (United States)

    Wang, Lei; Chen, Qi; Jamro, Imtiaz Ali; Li, Rundong; Li, Yanlong; Li, Shaobai; Luan, Jingde

    2016-06-01

    Municipal solid waste incinerator (MSWI) fly ashes are characterized by high calcium oxide (CaO) content. Carbon dioxide (CO2) adsorption by MSWI fly ash was discussed based on thermogravimetry (TG)/differential thermal analysis (DTA), minerology analysis, and adapting the Stenoir equation. TG/DTA analysis showed that the weight gain of the fly ash below 440 °C was as high as 5.70 %. An adapted Stenoir equation for MSWI fly ash was discussed. The chloride in MSWI fly ash has a major impact on CO2 adsorption by MSWI fly ash or air pollution control (APC) residues. Geochemical modeling of the critical trace elements copper (Cu), cadmium (Cd), zinc (Zn), lead (Pb), and antimony (Sb) before and after carbonation was performed using a thermodynamic equilibrium model for solubility and a surface complexation model for metal sorption. Leaching of critical trace elements was generally found to be strongly dependent on the degree of carbonation attained, and their solubility appeared to be controlled by several minerals. Adsorption on ferrum (Fe) and aluminum (Al) colloids was also responsible for removal of the trace elements Cd, Pb, and Sb. We used Hakanson's potential ecological risk index (HPERI) to evaluate the risk of trace element leaching in general. The results demonstrate that the ecological risk showed a V-shaped dependency on pH; the optimum pH of the carbonated fly ash was found to be 10.3-11, resulting from the optimum carbonation (liquid-to-solid (L/S) ratio = 0.25, carbonation duration = ∼30-48 h). The dataset and modeling results presented here provide a contribution to assessing the leaching behavior of MSWI fly ash under a wide range of conditions.

  20. Assessment of microbiological development in nuclear waste geological disposal: a geochemical modeling approach

    Energy Technology Data Exchange (ETDEWEB)

    Esnault, Loic [ECOGEOSAFE, Technopole de l' Environnement Arbois-Mediterranee, 13545 Aix en Provence (France); Libert, Marie; Bildstein, Olivier [CEA, DEN, DTN/SMTM/LMTE - 13108 Saint Paul lez Durance (France)

    2013-07-01

    Deep geological environments are very often poor or devoid of biodegradable organic molecules, but hydrogen could be an efficient energetic source to replace organic matter and promote redox processes such as reduction of O{sub 2}, NO{sub 3}{sup -}, Fe{sup 3+}, SO{sub 4}{sup 2-} and CO{sub 2}. Moreover, the accessibility and availability of H{sub 2} and nutrients depend on gas/liquid permeability and their migration in the clay-stone porosity through the excavation damaged zone (EDZ). This study evaluates the spatial and temporal evolution of the geochemical conditions with regard to microbial development. The corrosion process in the argillite is investigated using numerical modeling over a period of 100,000 years. The development of bacterial biomass is estimated using potential redox reactions catalyzed by microorganisms and available nutrients. The simulations show that after the thermal peak (ca. 100-1000 years), physico-chemical conditions are favourable to support bacterial life. Relevant amounts of H{sub 2} and nutrients are released and migrate over the first 2 m of the argillite. Most of the biological redox process are localised close to the container where a high amount of magnetite is produced, providing Fe(III) (electron acceptor) that favours the development of iron-reducing bacteria (IRB). (authors)

  1. Geochemical modelling of grout-groundwater-rock interactions at the seal-rock interface

    International Nuclear Information System (INIS)

    Alcorn, S.; Christian-Frear, T.

    1992-02-01

    Theoretical investigations into the longevity of repository seals have dealt primarily with the development of a methodology to evaluate interactions between portland cement-based grout and groundwater. Evaluation of chemical thermodynamic equilibria among grout, groundwater, and granitic host rock phases using the geochemical codes EQ3NR/EQ6 suggests that a fracture filled with grout and saturated with groundwater will tend to fill and 'tighten' with time. These calculations predict that some grout and rock phases will dissolve, and that there will be precipitation of secondary phases which collectively have a larger overall volume than that of the material dissolved. Model assumptions include sealing of the fracture in a sluggish hydrologic regime (low gradient) characterized by a saline groundwater environment. The results of the calculations suggest that buffering of the fracture seals chemical system by the granitic rock may be important in determining the long-term fate of grout seals and the resulting phase assemblage in the fracture. The similarity of the predicted reaction product phases to those observed in naturally filled fractures suggests that with time equilibrium will be approached and grouted fractures subject to low hydrologic gradients will continue to seal. If grout injected into fractures materially reduces groundwater flux, the approach to chemical equilibrium will likely be accelerated. In light of this, even very thin or imperfectly grouted fractures would tighten in suitable hydrogeologic environments. In order to determine the period of time necessary to approach equilibrium, data on reaction rates are required. (au)

  2. Geochemical modeling of leaching from MSVI air-pollution-control residues

    DEFF Research Database (Denmark)

    Astrup, Thomas; Dijkstra, J.J.; Comans, R.N.J.

    2006-01-01

    This paper provides an improved understanding of the leaching behavior of waste incineration air-pollution-control (APC) residues in a long-term perspective. Leaching was investigated by a series of batch experiments reflecting leaching conditions after initial washout of highly soluble salts from...... residues. Leaching experiments were performed at a range of pH-values using carbonated and noncarbonated versions of two APC residues. The leaching data were evaluated by geochemical speciation modeling and discussed with respect to possible solubility control. The leaching of major elements as well...... of Al, Ba, Ca, Cr, Pb, S, Si, V, and Zn was found influenced by solubility control from Al2O3, Al(OH)3, Ba(S,Cr)O4 solid solutions, BaSO4, Ca6Al2(SO4)3(OH)12â26H2O, CaAl2Si4O12â2H2O, Ca-(OH)2, CaSiO3, CaSO4â2H2O, CaZn2(OH)6â2H2O, KAlSi2O6, PbCO3, PbCrO4, Pb2O3, Pb2V2O7, Pb3(VO4)2, ZnO, Zn2SiO4, and Zn...

  3. Quantitative study of Portland cement hydration by X-Ray diffraction/Rietveld analysis and geochemical modeling

    Science.gov (United States)

    Coutelot, F.; Seaman, J. C.; Simner, S.

    2017-12-01

    In this study the hydration of Portland cements containing blast-furnace slag and type V fly ash were investigated during cement curing using X-ray diffraction, with geochemical modeling used to calculate the total volume of hydrates. The goal was to evaluate the relationship between the starting component levels and the hydrate assemblages that develop during the curing process. Blast furnace-slag levels of 60, 45 and 30 wt.% were studied in blends containing fly ash and Portland cement. Geochemical modelling described the dissolution of the clinker, and predicted quantitatively the amount of hydrates. In all cases the experiments showed the presence of C-S-H, portlandite and ettringite. The quantities of ettringite, portlandite and the amorphous phases as determined by XRD agreed well with the calculated amounts of these phases after different periods of time. These findings show that changes in the bulk composition of hydrating cements can be described by geochemical models. Such a comparison between experimental and modelled data helps to understand in more detail the active processes occurring during cement hydration.

  4. Modeling multicomponent ionic transport in groundwater with IPhreeqc coupling: Electrostatic interactions and geochemical reactions in homogeneous and heterogeneous domains

    DEFF Research Database (Denmark)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2016-01-01

    is coupled with the geochemical code PHREEQC-3 by utilizing the IPhreeqc module, thus enabling to perform the geochemical calculations included in the PHREEQC's reaction package. The multicomponent reactive transport code is benchmarked with different 1-D and 2-D transport problems. Successively...... the electrostatic interactions during transport of charged ions in physically and chemically heterogeneous porous media. The modeling approach is based on the local charge balance and on the description of compound-specific and spatially variable diffusive/dispersive fluxes. The multicomponent ionic transport code......, conservative and reactive transport examples are presented to demonstrate the capability of the proposed model to simulate transport of charged species in heterogeneous porous media with spatially variable physical and chemical properties. The results reveal that the Coulombic cross-coupling between dispersive...

  5. Geochemical monitoring of volcanic lakes. A generalized box model for active crater lakes

    Directory of Open Access Journals (Sweden)

    Franco Tassi

    2011-06-01

    Full Text Available

    In the past, variations in the chemical contents (SO42−, Cl−, cations of crater lake water have not systematically demonstrated any relationships with eruptive activity. Intensive parameters (i.e., concentrations, temperature, pH, salinity should be converted into extensive parameters (i.e., fluxes, changes with time of mass and solutes, taking into account all the internal and external chemical–physical factors that affect the crater lake system. This study presents a generalized box model approach that can be useful for geochemical monitoring of active crater lakes, as highly dynamic natural systems. The mass budget of a lake is based on observations of physical variations over a certain period of time: lake volume (level, surface area, lake water temperature, meteorological precipitation, air humidity, wind velocity, input of spring water, and overflow of the lake. This first approach leads to quantification of the input and output fluxes that contribute to the actual crater lake volume. Estimating the input flux of the "volcanic" fluid (Qf- kg/s –– an unmeasurable subsurface parameter –– and tracing its variations with time is the major focus during crater lake monitoring. Through expanding the mass budget into an isotope and chemical budget of the lake, the box model helps to qualitatively characterize the fluids involved. The (calculated Cl− content and dD ratio of the rising "volcanic" fluid defines its origin. With reference to continuous monitoring of crater lakes, the present study provides tips that allow better calculation of Qf in the future. At present, this study offers the most comprehensive and up-to-date literature review on active crater lakes.

  6. Geochemical modelling of groundwater evolution and residence time at the Olkiluoto site

    International Nuclear Information System (INIS)

    Pitkaenen, P.; Luukkonen, A.; Ruotsalainen, P.; Leino-Forsman, H.; Vuorinen, U.

    1999-05-01

    An understanding of the geochemical evolution of groundwater is an essential part of the performance assessment and safety analysis of the final disposal of radioactive waste into the bedrock. The performance of technical barriers and migration of possibly released radionuclides depend on chemical conditions. A prerequisite for understanding these factors is the ability to specify the water-rock interactions which control chemical conditions in groundwater. The objective of this study is to interpret the processes and factors which control the hydrogeochemistry, such as pH and redox conditions. A model of the hydrogeochemical progress in different parts of the crystalline bedrock at Olkiluoto has been created and the significance of chemical reactions and groundwater mixing along different flowpaths calculated. Long term hydrodynamics have also been evaluated. The interpretation and modelling are based on water samples (63 altogether) obtained from precipitation, Baltic Sea, soil layer, shallow wells in the bedrock, and eight deep boreholes in the bedrock for which a comprehensive data set on dissolved chemical species and isotopes was available. Some analyses of dissolved gases and fracture calcite and their isotopic measurements were also utilised. The data covers the bedrock at Olkiluoto to a depth of 1000 m. The results from groundwater chemistry, isotopes, petrography, hydrogeology of the site, geomicrobial studies, and PCA and speciation calculations were used in the evaluation of evolutionary processes at the site. The geochemical interpretation of water-rock interaction, isotope-chemical evolution and mixing of palaeo water types were approached by mass-balance calculations (NETPATH). Reaction-path calculations (EQ3/6) were used to verify the thermodynamic feasibility of the reaction models obtained. The interpretation and calculation of hydrochemical data from Olkiluoto reveals the complex nature of hydrogeochemical evolution at the site. Changes in

  7. Geochemical modelling of groundwater evolution and residence time at the Olkiluoto site

    Energy Technology Data Exchange (ETDEWEB)

    Pitkaenen, P.; Luukkonen, A. [VTT Communities and Infrastructure, Espoo (Finland); Ruotsalainen, P. [Fintact Oy (Finland); Leino-Forsman, H.; Vuorinen, U. [VTT Chemical Technology, Espoo (Finland)

    1999-05-01

    An understanding of the geochemical evolution of groundwater is an essential part of the performance assessment and safety analysis of the final disposal of radioactive waste into the bedrock. The performance of technical barriers and migration of possibly released radionuclides depend on chemical conditions. A prerequisite for understanding these factors is the ability to specify the water-rock interactions which control chemical conditions in groundwater. The objective of this study is to interpret the processes and factors which control the hydrogeochemistry, such as pH and redox conditions. A model of the hydrogeochemical progress in different parts of the crystalline bedrock at Olkiluoto has been created and the significance of chemical reactions and groundwater mixing along different flowpaths calculated. Long term hydrodynamics have also been evaluated. The interpretation and modelling are based on water samples (63 altogether) obtained from precipitation, Baltic Sea, soil layer, shallow wells in the bedrock, and eight deep boreholes in the bedrock for which a comprehensive data set on dissolved chemical species and isotopes was available. Some analyses of dissolved gases and fracture calcite and their isotopic measurements were also utilised. The data covers the bedrock at Olkiluoto to a depth of 1000 m. The results from groundwater chemistry, isotopes, petrography, hydrogeology of the site, geomicrobial studies, and PCA and speciation calculations were used in the evaluation of evolutionary processes at the site. The geochemical interpretation of water-rock interaction, isotope-chemical evolution and mixing of palaeo water types were approached by mass-balance calculations (NETPATH). Reaction-path calculations (EQ3/6) were used to verify the thermodynamic feasibility of the reaction models obtained. The interpretation and calculation of hydrochemical data from Olkiluoto reveals the complex nature of hydrogeochemical evolution at the site. Changes in

  8. Consistency in Estimation and Model Selection of Dynamic Panel Data Models with Fixed Effects

    Directory of Open Access Journals (Sweden)

    Guangjie Li

    2015-07-01

    Full Text Available We examine the relationship between consistent parameter estimation and model selection for autoregressive panel data models with fixed effects. We find that the transformation of fixed effects proposed by Lancaster (2002 does not necessarily lead to consistent estimation of common parameters when some true exogenous regressors are excluded. We propose a data dependent way to specify the prior of the autoregressive coefficient and argue for comparing different model specifications before parameter estimation. Model selection properties of Bayes factors and Bayesian information criterion (BIC are investigated. When model uncertainty is substantial, we recommend the use of Bayesian Model Averaging to obtain point estimators with lower root mean squared errors (RMSE. We also study the implications of different levels of inclusion probabilities by simulations.

  9. Integration and consistency testing of groundwater flow models with hydro-geochemistry in site investigations in Finland

    International Nuclear Information System (INIS)

    Pitkaenen, P.; Loefman, J.; Korkealaakso, J.; Koskinen, L.; Ruotsalainen, P.; Hautojaervi, A.; Aeikaes, T.

    1999-01-01

    In the assessment of the suitability and safety of a geological repository for radioactive waste the understanding of the fluid flow at a site is essential. In order to build confidence in the assessment of the hydrogeological performance of a site in various conditions, integration of hydrological and hydrogeochemical methods and studies provides the primary method for investigating the evolution that has taken place in the past, and for predicting future conditions at the potential disposal site. A systematic geochemical sampling campaign was started since the beginning of 1990's in the Finnish site investigation programme. This enabled the initiating of integration and evaluation of site scale hydrogeochemical and groundwater flow models. Hydrogeochemical information has been used to screen relevant external processes and variables for definition of the initial and boundary conditions in hydrological simulations. The results obtained from interpretation and modelling hydrogeochemical evolution have been employed in testing the hydrogeochemical consistency of conceptual flow models. Integration and testing of flow models with hydrogeochemical information are considered to improve significantly the hydrogeological understanding of a site and increases confidence in conceptual hydrogeological models. (author)

  10. Evaluation and prediction of oil biodegradation: a novel approach integrating geochemical and basin modeling techniques in offshore Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Baudino, Roger [YPF S.A. (Argentina); Santos, Glauce Figueiredo dos; Losilla, Carlos; Cabrera, Ricardo; Loncarich, Ariel; Gavarrino, Alejandro [RepsolYPF do Brasil, Sao Paulo, SP (Brazil)

    2008-07-01

    Oil fields accounting for a large portion of the world reserves are severely affected by biological degradation. In Brazil, giant fields of the Campos Basin are producing biodegraded oils with widely variable fluid characteristics (10 to 40 deg API) and no apparent logical distribution nor predictability. Modern geochemical techniques allow defining the level of biodegradation. When original (non-degraded) oil samples and other with varying degradation level are available it might be possible to define a distribution trend and to relate it to present day geological factors such as temperature and reservoir geometry. However, other critical factors must be taken into account. But most of all, it is fundamental to have a vision in time of their evolution. This can only be achieved through 3D Basin Models coupled with modern visualization tools. The multi-disciplinary work-flow described here integrates three-dimensional numerical simulations with modern geochemical analyses. (author)

  11. Geochemical and flow modelling as tools in monitoring managed aquifer recharge

    International Nuclear Information System (INIS)

    Niinikoski, Paula; Saraperä, Sami; Hendriksson, Nina; Karhu, Juha A.

    2016-01-01

    Due to a growing world population and the effects of anthropogenic climate change, access to clean water is a growing global concern. Managed aquifer recharge (MAR) is a method that can help society's response to this increasing demand for pure water. In MAR, the groundwater resources are replenished and the quality of the recharged surface water is improved through effects such as the removal of organic matter. This removal occurs through mechanisms such as microbial decomposition, which can be monitored by studying the isotopic composition of dissolved inorganic carbon (DIC). Nevertheless, the monitoring can be difficult when there are other factors, like dissolving calcite, affecting the isotopic composition of DIC. The aims of this study were to establish a method for monitoring the decomposition of organic matter (dissolved organic carbon – DOC) in cases where calcite dissolution adds another component to the DIC pool, and to use this method to monitor the beginning and amount of DOC decomposition on a MAR site at Virttaankangas, southwestern Finland. To achieve this, we calculated the mean residence times of infiltrated water in the aquifer and the fractions of this water reaching observation wells. We conducted geochemical modelling, using PHREEQC, to estimate the amount of DOC decomposition and the mineral reactions affecting the quality of the water. - Highlights: • The decomposition of DOC in MAR systems is residence time dependent. • High pH environment can delay the beginning of the decomposition process. • Shortest travel times do not correlate with mean residence times in MAR systems.

  12. Experiments and geochemical modelling of CO{sub 2} sequestration by olivine: Potential, quantification

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, B., E-mail: Bruno.Garcia@ifp.fr [Institut Francais du Petrole, 1 et 4 Avenue du Bois Preau, 92852 Rueil Malmaison (France); Beaumont, V.; Perfetti, E.; Rouchon, V.; Blanchet, D. [Institut Francais du Petrole, 1 et 4 Avenue du Bois Preau, 92852 Rueil Malmaison (France); Oger, P.; Dromart, G. [Universite de Lyon, CNRS, UMR 5570, ENS de Lyon, Site Monod, 15 Parvis Rene Descartes BP 7000, Lyon F-69342 (France); Huc, A.-Y.; Haeseler, F. [Institut Francais du Petrole, 1 et 4 Avenue du Bois Preau, 92852 Rueil Malmaison (France)

    2010-09-15

    Aqueous solutions equilibrated with supercritical CO{sub 2} (150 deg. C and total pressure of 150 bar) were investigated in order to characterize their respective conditions of carbonation. Dissolution of olivine and subsequent precipitation of magnesite with a net consumption of CO{sub 2} were expected. A quantified pure mineral phase (powders with different olivine grain diameter [20-80 {mu}m], [80-125 {mu}m], [125-200 {mu}m] and [>200 {mu}m]), and CO{sub 2} (as dried ice) were placed in closed-batch reactors (soft Au tubes) in the presence of solutions. Different salinities (from 0 to 3400 mM) and different ratios of solution/solid (mineral phase) (from 0.1 to 10) were investigated. Experiments were performed over periods from 2 to 8 weeks. Final solid products were quantified by the Rock-Eval 6 technique, and identified using X-ray diffraction, Raman spectroscopy, electron microprobe and scanning electron microscopy. Gaseous compounds were quantified by a vacuum line equipped with a Toepler pump and identified and measured by gas chromatography (GC). Carbon mass balances were calculated. Olivine reacted completely with CO{sub 2}, trapping up to 57 {+-} 2% (eqC of initial CO{sub 2}) as magnesite; some amorphous silica also formed. Olivine grain diameter and solution/mineral ratios appeared to be the primary controls on the reaction, salinity acting as a second order parameter. During the experiments, fluid analyses may not be performed with approach adopted but, geochemical modelling was attempted to give information about the solution composition. This showed an interesting mineral matrix evolution. Under the experimental conditions, olivine appeared to be a good candidate for CO{sub 2} trapping into a geologically stable carbonate, magnesite. The possible use of mafic and ultramafic rocks for CO{sub 2} sequestration is discussed.

  13. Geochemical modelling study on the age and evolution of the groundwater at the Romuvaara site

    Energy Technology Data Exchange (ETDEWEB)

    Pitkaenen, P; Vuorinen, U; Leino-Forsman, H [Technical Research Centre of Finland, Espoo (Finland); Snellman, M [Imatran Voima Oy, Helsinki (Finland)

    1996-09-01

    The objective of the study was to interpret the processes and factors which control the hydrogeochemistry (e.g. pH and redox conditions) in the radioactive waste disposal environment. A model of the hydrogeochemical evolution and the chemical flowpaths in different parts of the bedrock at the Romuvaara (in Finland) site has been created. The significance of chemical reactions along different flowpaths is calculated. Furthermore, the consistency of the hydrogeochemical model and the hydrogeological model is examined. (107 refs.).

  14. Geochemical modelling study on the age and evolution of the groundwater at the Romuvaara site

    International Nuclear Information System (INIS)

    Pitkaenen, P.; Vuorinen, U.; Leino-Forsman, H.; Snellman, M.

    1996-09-01

    The objective of the study was to interpret the processes and factors which control the hydrogeochemistry (e.g. pH and redox conditions) in the radioactive waste disposal environment. A model of the hydrogeochemical evolution and the chemical flowpaths in different parts of the bedrock at the Romuvaara (in Finland) site has been created. The significance of chemical reactions along different flowpaths is calculated. Furthermore, the consistency of the hydrogeochemical model and the hydrogeological model is examined. (107 refs.)

  15. Aggregated wind power plant models consisting of IEC wind turbine models

    DEFF Research Database (Denmark)

    Altin, Müfit; Göksu, Ömer; Hansen, Anca Daniela

    2015-01-01

    The common practice regarding the modelling of large generation components has been to make use of models representing the performance of the individual components with a required level of accuracy and details. Owing to the rapid increase of wind power plants comprising large number of wind...... turbines, parameters and models to represent each individual wind turbine in detail makes it necessary to develop aggregated wind power plant models considering the simulation time for power system stability studies. In this paper, aggregated wind power plant models consisting of the IEC 61400-27 variable...... speed wind turbine models (type 3 and type 4) with a power plant controller is presented. The performance of the detailed benchmark wind power plant model and the aggregated model are compared by means of simulations for the specified test cases. Consequently, the results are summarized and discussed...

  16. Studying uranium migration in natural environment: experimental approach and geochemical modeling

    International Nuclear Information System (INIS)

    Phrommavanh, V.

    2008-10-01

    The present study deals with characterizing uranium migration in a limited zone of Le Bouchet site, a former uranium ore treatment facility, which is dismantled and the rehabilitation of which is under process. Some wastes are packed in a rehabilitated disposal nearby, called the Itteville site. In the framework of the monitoring of the deposit environment (air, water, sediment) set by prefectorial decrees, a piezometer (PZPK) located downstream to the latter, has shown total dissolved uranium peaks each winter since the 1990's. PZPK collects both the interstitial water of a calcareous peat formation, between the surface and 3 m, and an alluvial aquifer near 6 m of depth. Firstly, a hydrogeochemical characterization of the site has evidenced the uranium source term, which is present in the peat soil near 0.8 m, hence excluding any leaching from the waste disposal. Actually, a few microparticles of uranium oxide and mixed uranium-thorium oxide have been detected, but they do not represent the major part of the source term. Secondly, water chemistry of the peat soil water and PZPK has been monitored every two months from 2004 to 2007 in order to understand the reasons of the seasonal fluctuations of [U]tot.diss.. Completed with geochemical modeling and a bacterial identification by 16S rDNA sequence analysis, water chemistry data showed an important sulfate-reducing bacterial activity in summertime, leading to reducing conditions and therefore, a total dissolved uranium content limited by the low solubility of uraninite U IV O 2 (s). In wintertime, the latter bacterial activity being minimal and the effective pluviometry more important, conditions are more oxidant, which favors U(VI), more soluble, notably as the Ca 2 UO 2 (CO 3 ) 3 (aq) complex, evidenced by TRLFS. Finally, bacterial activity has been reproduced in laboratory in order to better characterize its impact on uranium solubility in the peat soil. Various parameters were tested (C sources, temperature

  17. Preliminary modelling study of geochemical interactions between a used-fuel disposal vault and the surrounding geosphere

    International Nuclear Information System (INIS)

    McMurry, J.

    1995-10-01

    In the Environmental Impact Statement (EIS) and the related documents that describe the Canadian nuclear fuel waste disposal concept (AECL 1994), it has been assumed that a disposal vault would have no significant geochemical impact on the geosphere, and so no such effects were included explicitly in the postclosure assessment model. The purpose of this study was to estimate the general magnitude and significance of vault-induced geochemical changes over an expected range of temperatures. The results of the preliminary modelling are used broadly to evaluate the implications of these changes for the migration of radionuclides through the geosphere. The geochemical modelling program PHREEQE was used to calculate the changes in mineral solubilities that would result from the transfer of aqueous species from the vault to the geosphere or that would result from groundwater-granite interactions enhanced by vault-derived elevated temperatures. Twelve representative vault water compositions, derived from predicted interactions with buffer material and backfill over a range of temperatures up to 95 deg C, were used in the modelling. For the conditions modelled it was determined that the interactions of the geosphere with dissolved vault constituents, and the relatively modest maximum increase in groundwater temperature produced by a vault, would have a limited impact on the geosphere. The conclusions of this preliminary study are qualified by some of the simplifying assumptions used in the modelling. More realistic modelling of natural systems requires a more detailed representation of water-solid interactions with a variety of vault materials at elevated temperatures. (author) 48 refs., 13 tabs, 4 figs

  18. Study of the coupling of geochemical models based on thermodynamic equilibrium with models of component transfer as solutions in porous media or fractures

    International Nuclear Information System (INIS)

    Coudrain-Ribstein, A.

    1985-01-01

    This study is a contribution of analyses possibilities of modelling the transfer of components in the underground taking into account complexes geochemical phenomena. In the first part, the aim and the methodology of existing codes are presented. The transfer codes describe with a great precision the physical phenomena of transport but they are based on a very simple conceptualisation of the geochemical phenomena of retention by the rock. The geochemical models are interested by a stable unity of volume. They allow to compute the equilibrium distribution of the components between the chemical species of the solution, and the solid and gaseous phases. They use important thermodynamic data bases corresponding to each possible reaction. To sum up the situation about the geochemical codes in Europe and United States, a list of about thirty codes describe their method and potentialities. The mathematical analysis of the different methods used in both types of codes is presented. Then, the principles of a modelisation associating the potentialities of the transport codes and the geochemical codes are discussed. It is not possible to think of a simple coupling. A general code must be established on the bases of the existing codes but also on new concepts and under new constraints. In such studies one must always deal with the problem of the reactions kinetics. When the velocity of the reactions is big enough versus the velocity of transport processes, the assumption of local geochemical equilibrium can be retained. A general code would be very cumbersome, expensive and difficult to use. The results would be difficult to analyse and exploit. On the other hand, for each case study, a detailed analysis can point out many computing simplifications without simplifying the concepts [fr

  19. Application of the PHREEQC geochemical computer model during the design and operation of UK mine water treatment schemes

    Energy Technology Data Exchange (ETDEWEB)

    Croxford, S.J.; England, A.; Jarvis, A.P. [IMC White Young Green Engineering and Environment, Sutton-in-Ashfield (United Kingdom)

    2004-07-01

    The UK Coal Authority operates more than 20 full-scale mine water treatment schemes. The PHREEQC geochemical model has been used during the design and operation of two of the UK Coal Authority's treatment systems to assess whether it is possible to more accurately predict the fate and behaviour of contaminants through the treatment process. These systems are at Frances Colliery, Fife, Scotland, and at Horden Colliery, County Durham, England. The characteristics of the mine water at these sites, and the treatment systems installed to remediate them, are described. At Frances Colliery the following issues have been investigated using the PHREEQC model: determination of optimum alkali dose rate; and investment of secondary mineralization that causes pipe fouling. At Horden Colliery areas investigated using the PHREEQC model are: prediction of sludge volume production for various alkali reagents; predication of the influence of elevated carbon dioxide partial pressures on alkali requirements; and influence of elevated chloride concentration on sludge characteristics and production. The results of the investigation are presented and discussed. The study suggests that geochemical modelling may be a useful tool in determining both the geochemical processes occurring within a mine water treatment system and ultimately the likely costs involved during the operation of a particular scheme. Plans for future work include further validation of the PHREEQC model predictions by careful sampling and analysis of water chemistry and secondary mineral phases through the treatment systems. In the future it is hoped that the PHREEQC model may become a useful tool in the design phase of mine water treatment systems. 7 refs., 8 tabs.

  20. Influence of organic matter on the solubility of ThO2 and geochemical modeling

    International Nuclear Information System (INIS)

    Liu Dejun; Luo Tian; Maes, N.; Bruggeman, C.

    2014-01-01

    Thorium (IV) is widely considered in laboratory experiments as a suitable chemical analogue for long-lived tetravalent actinides. Th (IV) is redox-insensitive, as an analogue for U (IV) to study the influence of natural organic matter on the solubility. The solubility of crystalline ThO 2 (cr) has been measured under geochemical conditions representative for the Boom Clay using Real Boom Clay Water containing organic matter to assess its influence on the ThO 2 (cr) solubility. For the purpose of comparison, Aldrich Humic Acid was also investigated. Solubility measurements of ThO 2 (cr) were approached from under-saturation in an anaerobic glove box with a controlled Ar0.4%CO 2 atmosphere. Th concentration is determined after 30000 MWCO, 300000 MWCO, and 0.45 μm filtration to distinguish solid (0.45 μm), larger colloids (300000 MWCO), and small dissolved species(30000 MWCO). X-ray diffraction was carried out to investigate the transformation of ThO 2 (cr) phase during the contact with Boom Clay Water. In Synthetic Boom Clay Water (without organic matter) the concentrations of Th (IV) are 5 × l0 -ll mol/L, 4 × lO -10 mol/L, and 8 × lO -8 mol/L after 30000 MWCO, 300000 MWCO, and 0. 45 μm filtration, respectively. It indicated the existence of inorganic colloids in solution. The increase of the total Th solution concentration with increasing organic matter concentration revealed a complexation-like interaction between Th and organic matter. All the experimental data could be modeled by Tipping humic ion-binding model VI using a combination of solubility calculations and complexation reactions between Th (IV) and organic matter functional groups. Similar to the investigation of Eu 3+ solubility, the affinity of organic matter for Th was higher for Aldrich humic acid compared to Boom Clay organic matter. However, Boom Clay organic matter with different size had the similar complexation affinity with Th (IV). (authors)

  1. Modeling coupled thermal, flow, transport and geochemical processes controlling near field long-term evolution

    International Nuclear Information System (INIS)

    Zhou, W.; Arthur, R.; Xu, T.; Pruess, K.

    2005-01-01

    precipitation/dissolution and solute transport. Preliminary results show that during the early heating phase, reactions strongly depend on the magnitude of the temperature gradient across the buffer. As the temperature gradient diminishes, reactions are increasingly dominated by groundwater solutes diffusing into the bentonite pore water from the host rock. Bentonite effective diffusion coefficient plays an important role to long-term solute transport. [1] Arthur, R., W. Zhou, and B. Stromberg, (2003), 'THC modeling of the non-isothermal phase of near-field evolution' in Proceedings of the 10. International High-Level Radioactive Waste Management Conference, March 30-April 2, 2003, Las Vegas, Nevada, USA. [2] Hoekmark, H. and B. Faelth, (2003), Thermal dimensioning of the deep repository, SKB TR-03- 09, Swedish Nuclear Fuel and Waste Management Co., Stockholm, Sweden. [3] Bruno, J. D. Arcos, and L. Duro, (1999), Processes and features affecting the near field hydro-chemistry, SKB TR-99-29, Swedish Nuclear Fuel and Waste Management Co., Stockholm, Sweden. [4] Xu, T., E. Sonnenthal, N. Spycher, and K. Pruess, (2003), TOUGHREACT User's Guide: A Simulation Program for Non-isothermal Multiphase Reactive Geochemical Transport in Variably Saturated Geologic Media, LBNL-55460, Lawrence Berkeley National Laboratory, Berkeley, California, USA. (authors)

  2. Consistent model reduction of polymer chains in solution in dissipative particle dynamics: Model description

    KAUST Repository

    Moreno Chaparro, Nicolas

    2015-06-30

    We introduce a framework for model reduction of polymer chain models for dissipative particle dynamics (DPD) simulations, where the properties governing the phase equilibria such as the characteristic size of the chain, compressibility, density, and temperature are preserved. The proposed methodology reduces the number of degrees of freedom required in traditional DPD representations to model equilibrium properties of systems with complex molecules (e.g., linear polymers). Based on geometrical considerations we explicitly account for the correlation between beads in fine-grained DPD models and consistently represent the effect of these correlations in a reduced model, in a practical and simple fashion via power laws and the consistent scaling of the simulation parameters. In order to satisfy the geometrical constraints in the reduced model we introduce bond-angle potentials that account for the changes in the chain free energy after the model reduction. Following this coarse-graining process we represent high molecular weight DPD chains (i.e., ≥200≥200 beads per chain) with a significant reduction in the number of particles required (i.e., ≥20≥20 times the original system). We show that our methodology has potential applications modeling systems of high molecular weight molecules at large scales, such as diblock copolymer and DNA.

  3. Geochemical tracing and hydrogeochemical modelling of water-rock interactions during salinization of alluvial groundwater (Upper Rhine Valley, France)

    Energy Technology Data Exchange (ETDEWEB)

    Lucas, Y., E-mail: yann.lucas@eost.u-strasbg.fr [Universite de Strasbourg et CNRS, Laboratoire d' Hydrologie et de Geochimie de Strasbourg, Ecole et Observatoire des Sciences de la Terre, 1, rue Blessig, 67084 Strasbourg Cedex (France); Schmitt, A.D., E-mail: anne-desiree.schmitt@univ-fcomte.fr [Universite de Strasbourg et CNRS, Laboratoire d' Hydrologie et de Geochimie de Strasbourg, Ecole et Observatoire des Sciences de la Terre, 1, rue Blessig, 67084 Strasbourg Cedex (France)] [Universite de Franche-Comte et CNRS-UMR 6249, Chrono-Environnement, 16, Route de Gray, 25030 Besancon Cedex (France); Chabaux, F., E-mail: francois.chabaux@eost.u-strasbg.fr [Universite de Strasbourg et CNRS, Laboratoire d' Hydrologie et de Geochimie de Strasbourg, Ecole et Observatoire des Sciences de la Terre, 1, rue Blessig, 67084 Strasbourg Cedex (France); Clement, A.; Fritz, B. [Universite de Strasbourg et CNRS, Laboratoire d' Hydrologie et de Geochimie de Strasbourg, Ecole et Observatoire des Sciences de la Terre, 1, rue Blessig, 67084 Strasbourg Cedex (France); Elsass, Ph. [BRGM, GEODERIS, 1, rue Claude Chappe, 57070 Metz (France); Durand, S. [Universite de Strasbourg et CNRS, Laboratoire d' Hydrologie et de Geochimie de Strasbourg, Ecole et Observatoire des Sciences de la Terre, 1, rue Blessig, 67084 Strasbourg Cedex (France)

    2010-11-15

    Research highlights: {yields} Major and trace elements along with strontium and uranium isotopic ratios show that groundwater geochemical characteristics along the saline plumes cannot reflect a conservative mixing. {yields} A coupled hydrogeochemical model demonstrates that cationic exchange between alkalis from polluted waters and alkaline-earth elements from montmorillonite present in the host rock of the aquifer is the primary process. {yields} The model requires only a small amount of montmorillonite. {yields} It is necessary to consider the pollution history to explain the important chloride, sodium and calcium concentration modifications. {yields} The model shows that the rapidity of the cationic exchange reactions insures a reversibility of the cation fixation on clays in the aquifer. - Abstract: In the southern Upper Rhine Valley, groundwater has undergone intensive saline pollution caused by the infiltration of mining brines, a consequence of potash extraction carried out during the 20th century. Major and trace elements along with Sr and U isotopic ratios show that groundwater geochemical characteristics along the saline plumes cannot reflect conservative mixing between saline waters resulting from the dissolution of waste heaps and one or more unpolluted end-members. The results imply the occurrence of interactions between host rocks and polluted waters, and they suggest that cationic exchange mechanisms are the primary controlling process. A coupled hydrogeochemical model has been developed with the numerical code KIRMAT, which demonstrates that cationic exchange between alkalis from polluted waters and alkaline-earth elements from montmorillonite present in the host rock of the aquifer is the primary process controlling the geochemical evolution of the groundwater. The model requires only a small amount of montmorillonite (between 0.75% and 2.25%), which is in agreement with the observed mineralogical composition of the aquifer. The model also proves

  4. A new k-epsilon model consistent with Monin-Obukhov similarity theory

    DEFF Research Database (Denmark)

    van der Laan, Paul; Kelly, Mark C.; Sørensen, Niels N.

    2017-01-01

    A new k-" model is introduced that is consistent with Monin–Obukhov similarity theory (MOST). The proposed k-" model is compared with another k-" model that was developed in an attempt to maintain inlet profiles compatible with MOST. It is shown that the previous k-" model is not consistent with ...

  5. Modelling of water-gas-rock geo-chemical interactions. Application to mineral diagenesis in geological reservoirs

    International Nuclear Information System (INIS)

    Bildstein, Olivier

    1998-01-01

    Mineral diagenesis in tanks results from interactions between minerals, water, and possibly gases, over geological periods of time. The associated phenomena may have a crucial importance for reservoir characterization because of their impact on petrophysical properties. The objective of this research thesis is thus to develop a model which integrates geochemical functions necessary to simulate diagenetic reactions, and which is numerically efficient enough to perform the coupling with a transport model. After a recall of thermodynamic and kinetic backgrounds, the author discusses how the nature of available analytic and experimental data influenced choices made for the formalization of physical-chemical phenomena and for behaviour laws to be considered. Numerical and computational aspects are presented in the second part. The model is validated by using simple examples. The different possible steps during the kinetic competition between two mineral are highlighted, as well the competition between mineral reaction kinetics and water flow rate across the rock. Redox reactions are also considered. In the third part, the author reports the application of new model functions, and highlights the contribution of the modelling to the understanding of some complex geochemical phenomena and to the prediction of reservoir quality. The model is applied to several diagenetic transformations: cementation of dolomitic limestone by anhydride, illite precipitation, and thermal reduction of sulphates [fr

  6. Geochemical modeling of orogenic gold deposit using PCANN hybrid method in the Alut, Kurdistan province, Iran

    Science.gov (United States)

    Mohammadzadeh, Mohammadjafar; Nasseri, Aynur

    2018-03-01

    In this paper stream sediments based geochemical exploration program with the aim of delineating potentially promising areas by a comprehensive stepwise optimization approach from univariate statistics, PCA, ANN, and fusion method PCANN were under taken for an orogenic gold deposit located in the Alut, Kurdistan province, NW of Iran. At first the data were preprocessed and then PCA were applied to determine the maximum variability directions of elements in the area. Subsequently the artificial neural network (ANN) was used for quick estimation of elemental concentration, as well as discriminating anomalous populations and intelligent determination of internal structure among the data. However, both the methods revealed constraints for modeling. To overcome the deficiency and shortcoming of each individual method a new methodology is presented by integration of both "PCA & ANN" referred as PCANN method. For integrating purpose, the detected PCs pertinent to ore mineralization selected and intruded to neural network structure, as a result different MLPs with various algorithms and structures were produced. The resulting PCANN maps suggest that the gold mineralization and its pathfinder elements (Au, Mo, W, Bi, Sb, Cu, Pb, Ag & As) are associated with metamorphic host rocks intruded by granite bodies in the Alut area. In addition, more concealed and distinct Au anomalies with higher intensity were detected, confirming the privileges of the method in evaluating susceptibility of the area in delineating new hidden potential zones. The proposed method demonstrates simpler network architecture, easy computational implementation, faster training speed, as well as no need to consider any primary assumption about the behavior of data and their probability distribution type, with more satisfactory predicting performance for generating gold potential map of the area. Comparing the results of three methods (PCA, ANN and PCANN), representing the higher efficiency and more

  7. Speciation of magnesium in monohydrocalcite: XANES, ab initio and geochemical modeling

    Science.gov (United States)

    Fukushi, Keisuke; Suzuki, Yuma; Kawano, Jun; Ohno, Takeshi; Ogawa, Masahiro; Yaji, Toyonari; Takahashi, Yoshio

    2017-09-01

    Monohydrocalcite (MHC: CaCO3·H2O), a rare carbonate mineral formed under surface conditions, is usually observed in nature as containing a variable amount of Mg, with a 0.007-0.45 Mg/Ca mole ratio. The variable Mg composition in MHC is anticipated as a promising proxy to assess paleo-hydrochemistry especially in saline lakes. Although the roles of Mg on the formation and stability of MHC have been studied intensively, the Mg speciation in MHC has remained unclear and controversial. This study examined Mg speciation in MHC using X-ray absorption near edge structure (XANES), ab initio molecular simulation, and geochemical modeling. Mg-XANES spectra of MHC with different Mg/Ca ratios prepared from mixing solutions of Na2CO3, CaCl2 and MgCl2 revealed that the Mg in MHC is a mixture of amorphous Mg carbonate (AMC) and other Mg containing phase. The contribution of AMC to total Mg is negatively correlated to the crystallinity of MHC. Results show that AMC might play a protective role in the crystallization and the transformation to stable calcium carbonates. Ab initio calculation of Mg2+ substitution into MHC showed that a limited amount of Mg2+ can be incorporated into the MHC structure. Six-fold coordination of Mg2+ is substituted for eight-fold coordination of Ca2+ in the MHC structure. The other type of Mg in MHC revealed from the XANES analyses most likely corresponds to the structural Mg in MHC. The contribution of the structural Mg is almost constant at 0.06 in Mg/Ca, representing the limit of solid solubility of Mg in MHC. The solubility products of the MHC with the limit of solid solubility of Mg and the AMC associated with MHC were estimated from the reacted solution compositions. Prediction of the Mg/Ca ratio as a function of the initial solution conditions using solubility reasonably reproduces the observed apparent Mg/Ca ratios in MHC from the present study and earlier studies. The apparent Mg/Ca ratio of MHC is useful to elucidate water chemistry

  8. Modelling of long term geochemical evolution and study of mechanical perturbation of bentonite buffer of a KBS-3 repository

    Energy Technology Data Exchange (ETDEWEB)

    Marsal, Francois; Pellegrini, Delphine; Deleruyelle, Frederic; Serres, Christophe (French Inst. for Radiological Protection and Nuclear Safety (IRSN), Fontenay-aux-Roses (FR)); Windt, Laurent de (Ecole des Mines de Paris, Paris (FR))

    2008-03-15

    simulated intrusion of oxidizing waters lead to a limited perturbation, i.e. localized within bentonite near the fracture plane level. Actually, the calculated evolutions are relatively slow, so that in some cases the buffer remains in a transient stage over the whole simulation period and thus could turn heterogeneous in geochemical properties. Regarding the effect of temperature, a heterogeneous evolution is again observed, with moderate to slight dissolution-precipitation reactions either on the inner or outer border of the buffer (warmer and cooler zones) depending on the accessory minerals. These main trends in bentonite geochemical evolutions are in good agreement with the results presented in SR-Can and in Arcos et al., though some discrepancies have been pointed out, that can be explained by differences in modelling input data (mainly regarding log K values). Finally, issues in terms of processes and data would worth being further investigated as they might have a significant influence on bentonite evolutions, such as the thermohydraulic coupling of processes during the initial transient phase or the stability of montmorillonite. PART II: Elements of the SR-Can project relative to piping and erosion phenomena of bentonite components of a KBS-3 repository are analysed with regard to the experience feedback available at IRSN and consisting in experimental results obtained on samples at the UJF-Grenoble between 2000 and 2004. A synthesis of these tests is presented, with a closer attention to the Argillite/Bentonite tests during which phenomena of erosion occurred. The reference evolution of a KBS-3 repository, the resaturation and swelling kinetics of backfills and buffers and the possibility for a buffer to swell upwards the backfill have been considered. According to the reviewed documents, IRSN notes that the SR-Can project tackles the piping and erosion phenomena with local modellings and 'rough estimates', the latter being based on 3 &apos

  9. Geochemical modeling of reactions and partitioning of trace metals and radionuclides during titration of contaminated acidic sediments.

    Science.gov (United States)

    Zhang, Fan; Luo, Wensui; Parker, Jack C; Spalding, Brian P; Brooks, Scott C; Watson, David B; Jardine, Philip M; Gu, Baohua

    2008-11-01

    Many geochemical reactions that control aqueous metal concentrations are directly affected by solution pH. However, changes in solution pH are strongly buffered by various aqueous phase and solid phase precipitation/dissolution and adsorption/desorption reactions. The ability to predict acid-base behavior of the soil-solution system is thus critical to predict metal transport under variable pH conditions. This studywas undertaken to develop a practical generic geochemical modeling approach to predict aqueous and solid phase concentrations of metals and anions during conditions of acid or base additions. The method of Spalding and Spalding was utilized to model soil buffer capacity and pH-dependent cation exchange capacity by treating aquifer solids as a polyprotic acid. To simulate the dynamic and pH-dependent anion exchange capacity, the aquifer solids were simultaneously treated as a polyprotic base controlled by mineral precipitation/ dissolution reactions. An equilibrium reaction model that describes aqueous complexation, precipitation, sorption and soil buffering with pH-dependent ion exchange was developed using HydroGeoChem v5.0 (HGC5). Comparison of model results with experimental titration data of pH, Al, Ca, Mg, Sr, Mn, Ni, Co, and SO4(2-) for contaminated sediments indicated close agreement suggesting that the model could potentially be used to predictthe acid-base behavior of the sediment-solution system under variable pH conditions.

  10. Reconstruction of Consistent 3d CAD Models from Point Cloud Data Using a Priori CAD Models

    Science.gov (United States)

    Bey, A.; Chaine, R.; Marc, R.; Thibault, G.; Akkouche, S.

    2011-09-01

    We address the reconstruction of 3D CAD models from point cloud data acquired in industrial environments, using a pre-existing 3D model as an initial estimate of the scene to be processed. Indeed, this prior knowledge can be used to drive the reconstruction so as to generate an accurate 3D model matching the point cloud. We more particularly focus our work on the cylindrical parts of the 3D models. We propose to state the problem in a probabilistic framework: we have to search for the 3D model which maximizes some probability taking several constraints into account, such as the relevancy with respect to the point cloud and the a priori 3D model, and the consistency of the reconstructed model. The resulting optimization problem can then be handled using a stochastic exploration of the solution space, based on the random insertion of elements in the configuration under construction, coupled with a greedy management of the conflicts which efficiently improves the configuration at each step. We show that this approach provides reliable reconstructed 3D models by presenting some results on industrial data sets.

  11. Geochemical modeling of the influence of silicate mineral alteration on alkalinity production and carbonate precipitation

    Science.gov (United States)

    Herda, Gerhard; Kraemer, Stephan M.; Gier, Susanne; Meister, Patrick

    2016-04-01

    High CO2 partial pressure (pCO2) in deep rock reservoirs causes acidification of the porefluid. Such conditions occur during injection and subsurface storage of CO2 (to prevent the release of greenhouse gas) but also naturally in zones of strong methanogenic microbial activity in organic matter-rich ocean margin sediments. The acidic fluids are corrosive to carbonates and bear the risk of leakage of CO2 gas to the surface. Porefluid acidification may be moderated by processes that increase the alkalinity, i.e. that produce weak acid anions capable of buffering the acidification imposed by the CO2. Often, alkalinity increases as a result of anaerobic microbial activity, such as anaerobic oxidation of methane. However, on a long term the alteration of silicates, in particular, clay minerals, may be a more efficient mechanism of alkalinity production. Under altered temperature, pressure and porefluid composition at depth, clay minerals may change to thermodynamically more stable states, thereby increasing the alkalinity of the porefluid by partial leaching of Mg-(OH)2 and Ca-(OH)2 (e.g. Wallmann et al., 2008; Mavromatis et al., 2014). This alteration may even be enhanced by a high pCO2. Thus, silicate alteration can be essential for a long-term stabilization of volatile CO2 in the form of bicarbonate or may even induce precipitation of carbonate minerals, but these processes are not fully understood yet. The goal of this study is to simulate the alkalinity effect of silicate alteration under diagenetic conditions and high pCO2 by geochemical modeling. We are using the program PHREEQC (Parkhurst and Appelo, 2013) to generate high rock/fluid ratio characteristics for deep subsurface rock reservoirs. Since we are interested in the long-term evolution of diagenetic processes, over millions of years, we do not consider kinetics but calculate the theoretically possible equilibrium conditions. In a first step we are calculating the saturation state of different clay minerals

  12. Modeling geochemical stability of cement formulations for use as shaft liner and sealing components at Yucca Mountain

    International Nuclear Information System (INIS)

    Gardiner, M.A.; Myers, J.; Hinkebein, T.E.

    1990-01-01

    The geochemical modeling codes EQ3NR/EQ6 were used to model the interaction of cementitious materials with ground water from the Yucca Mountain proposed nuclear waste repository site in Nevada. This paper presents a preliminary estimate of the compositional changes caused by these interactions in the ground water and in the cement-based compounds proposed for use as sealing and shaft liner materials at the Yucca Mountain site. The geochemical speciation/solubility/reaction path codes EQ3NR/EQ6 were used to model the interaction of cementitious materials and water. Interaction of water with a cementitious material will result in dissolution of certain cement phases and changes in the water chemistry. These changes in the water chemistry may further lead to the precipitation of minerals either in the concrete or in the surrounding tuff at the Yucca Mountain Site (YMS). As part of a larger scoping study, a range of water, cement, and tuff compositions, temperatures, and reaction path modes were used. This paper presents a subset of that study by considering the interaction of three different cement formulations at 25 degree C with J-13 water using the ''closed'' reaction path mode. This subset was chosen as a base case to answer important questions in selecting the compositions of cementitious materials for use in the proposed repository. 8 refs., 1 fig., 3 tabs

  13. Tools and data for the geochemical modeling. Thermodynamic data for sulfur species and background salts and tools for the uncertainty analysis; WEDA. Werkzeuge und Daten fuer die Geochemische Modellierung. Thermodynamische Daten fuer Schwefelspezies und Hintergrundsalze sowie Tools zur Unsicherheitsanalyse

    Energy Technology Data Exchange (ETDEWEB)

    Hagemann, Sven; Schoenwiese, Dagmar; Scharge, Tina

    2015-07-15

    The report on tools and data for the geochemical modeling covers the following issues: experimental methods and theoretical models, design of a thermodynamic model for reduced sulfur species, thermodynamic models for background salts, tools for the uncertainty and sensitivity analyses of geochemical equilibrium modeling.

  14. Adjoint-consistent formulations of slip models for coupled electroosmotic flow systems

    KAUST Repository

    Garg, Vikram V; Prudhomme, Serge; van der Zee, Kris G; Carey, Graham F

    2014-01-01

    Models based on the Helmholtz `slip' approximation are often used for the simulation of electroosmotic flows. The objectives of this paper are to construct adjoint-consistent formulations of such models, and to develop adjoint

  15. A conceptual model for groundwater flow and geochemical evolution in the southern Outaouais Region, Québec, Canada

    International Nuclear Information System (INIS)

    Montcoudiol, N.; Molson, J.; Lemieux, J.-M.; Cloutier, V.

    2015-01-01

    Highlights: • Geochemical and isotope data help constrain the 2D conceptual flow model. • Stable isotopes indicate recharge occurring under conditions similar to current climate. • Mixing was found between younger ( 3 H) and older ( 14 C and 4 He) groundwater. • Mixing occurred under natural flow conditions and/or was induced during sampling. • The new conceptual model shows dominant local and intermediate flow systems. - Abstract: A conceptual model was developed for a hydrogeological flow system in the southern Outaouais Region, Quebec, Canada, where the local population relies heavily on groundwater pumped from shallow overburden aquifers and from deeper fractured crystalline bedrock. The model is based on the interpretation of aqueous inorganic geochemical data from 14 wells along a cross-section following the general flow direction, of which 9 were also analysed for isotopes (δ 18 O, δ 2 H, 3 H, δ 13 C, 14 C) and 4 for noble gases (He, Ne, Ar, Xe, Kr). Three major water types were identified: (1) Ca–HCO 3 in the unconfined aquifer as a result of silicate (Ca-feldspar) weathering, (2) Na–Cl as a remnant of the post-glacial Champlain Sea in stagnant confined zones of the aquifer, and (3) Na–HCO 3 , resulting from freshening of the confined aquifer due to Ca–Na cation exchange. Chemical data also allowed the identification of significant mixing zones. Isotope and noble gas data confirm the hypothesis of remnant water from the Champlain Sea and also support the hypothesis of mixing processes between a young tritium-rich component with an older component containing high 4 He concentrations. It is still unclear if the mixing occurs under natural flow conditions or if it is induced by pumping during the sampling, most wells being open boreholes in the bedrock. It is clear, however, that the hydrogeochemical system is dynamic and still evolving from induced changes since the last glaciation. As a next step, the conceptual model will serve as a

  16. Targeting of Gold Deposits in Amazonian Exploration Frontiers using Knowledge- and Data-Driven Spatial Modeling of Geophysical, Geochemical, and Geological Data

    Science.gov (United States)

    Magalhães, Lucíola Alves; Souza Filho, Carlos Roberto

    2012-03-01

    This paper reports the application of weights-of-evidence, artificial neural networks, and fuzzy logic spatial modeling techniques to generate prospectivity maps for gold mineralization in the neighborhood of the Amapari Au mine, Brazil. The study area comprises one of the last Brazilian mineral exploration frontiers. The Amapari mine is located in the Maroni-Itaicaiúnas Province, which regionally hosts important gold, iron, manganese, chromite, diamond, bauxite, kaolinite, and cassiterite deposits. The Amapari Au mine is characterized as of the orogenic gold deposit type. The highest gold grades are associated with highly deformed rocks and are concentrated in sulfide-rich veins mainly composed of pyrrhotite. The data used for the generation of gold prospectivity models include aerogeophysical and geological maps as well as the gold content of stream sediment samples. The prospectivity maps provided by these three methods showed that the Amapari mine stands out as an area of high potential for gold mineralization. The prospectivity maps also highlight new targets for gold exploration. These new targets were validated by means of detailed maps of gold geochemical anomalies in soil and by fieldwork. The identified target areas exhibit good spatial coincidence with the main soil geochemical anomalies and prospects, thus demonstrating that the delineation of exploration targets by analysis and integration of indirect datasets in a geographic information system (GIS) is consistent with direct prospecting. Considering that work of this nature has never been developed in the Amazonian region, this is an important example of the applicability and functionality of geophysical data and prospectivity analysis in regions where geologic and metallogenetic information is scarce.

  17. Geochemical Modeling of Trivalent Chromium Migration in Saline-Sodic Soil during Lasagna Process: Impact on Soil Physicochemical Properties

    Science.gov (United States)

    Bukhari, Alaadin; Al-Malack, Muhammad H.; Mu'azu, Nuhu D.; Essa, Mohammed H.

    2014-01-01

    Trivalent Cr is one of the heavy metals that are difficult to be removed from soil using electrokinetic study because of its geochemical properties. High buffering capacity soil is expected to reduce the mobility of the trivalent Cr and subsequently reduce the remedial efficiency thereby complicating the remediation process. In this study, geochemical modeling and migration of trivalent Cr in saline-sodic soil (high buffering capacity and alkaline) during integrated electrokinetics-adsorption remediation, called the Lasagna process, were investigated. The remedial efficiency of trivalent Cr in addition to the impacts of the Lasagna process on the physicochemical properties of the soil was studied. Box-Behnken design was used to study the interaction effects of voltage gradient, initial contaminant concentration, and polarity reversal rate on the soil pH, electroosmotic volume, soil electrical conductivity, current, and remedial efficiency of trivalent Cr in saline-sodic soil that was artificially spiked with Cr, Cu, Cd, Pb, Hg, phenol, and kerosene. Overall desirability of 0.715 was attained at the following optimal conditions: voltage gradient 0.36 V/cm; polarity reversal rate 17.63 hr; soil pH 10.0. Under these conditions, the expected trivalent Cr remedial efficiency is 64.75 %. PMID:25152905

  18. Kinetic and thermodynamic modelling of geochemical effects of a nuclear waste storage in granitic environment

    International Nuclear Information System (INIS)

    Made, B.; Fritz, B.

    1993-01-01

    In the world, various experimental sites are selected to study the behavior of different types of source rocks under nuclear waste storage influence. The surrounding rock tested to receive the waste storage must be a stable geological formation. In France, four geological formations are preselected for the feasibility study of repository for spent nuclear fuel at long term: shale, salt, clay and granite. At present time, numerous studies are carried out in Europe (Germany, Belgium, Sweden, Switzerland, United-Kingdom...), in North America (U.S.A. and Canada) and in Japan. Water-rock interactions control the most of rock transformations near the surface of the earth. The rock forming minerals react with the aqueous solutions, the primary minerals dissolution releases ionic species in solution and secondary minerals precipitate if equilibrium or oversaturation is reached. The weathering processes (hydrothermal or not) are always very complicated thus, geochemical codes has been developed to simulate the water-rock interactions. The first generation of codes is based on purely thermodynamic laws without reference to the time dependence of chemical reactions and then the dissolution path calculation refer to the irreversible dissolution of reactants and reversible precipitation of products ([1] to [4]). The system evolution is followed according to the reaction progress ξ which has been introduced in chemical system by Gibbs. Since few years, the experimental studies on the kinetics of minerals dissolution have allowed to take into account of dissolution rates data for the major minerals (silicates, carbonates...). More recently, a new geochemical codes generation appears based on thermodynamic potential and kinetic laws ([5] to [8]). The system evolution is followed according to the reaction time. (authors). 8 figs., 4 tabs., 24 refs

  19. Self-consistent imbedding and the ellipsoidal model model for porous rocks

    International Nuclear Information System (INIS)

    Korringa, J.; Brown, R.J.S.; Thompson, D.D.; Runge, R.J.

    1979-01-01

    Equations are obtained for the effective elastic moduli for a model of an isotropic, heterogeneous, porous medium. The mathematical model used for computation is abstract in that it is not simply a rigorous computation for a composite medium of some idealized geometry, although the computation contains individual steps which are just that. Both the solid part and pore space are represented by ellipsoidal or spherical 'grains' or 'pores' of various sizes and shapes. The strain of each grain, caused by external forces applied to the medium, is calculated in a self-consistent imbedding (SCI) approximation, which replaces the true surrounding of any given grain or pore by an isotropic medium defined by the effective moduli to be computed. The ellipsoidal nature of the shapes allows us to use Eshelby's theoretical treatment of a single ellipsoidal inclusion in an infiinte homogeneous medium. Results are compared with the literature, and discrepancies are found with all published accounts of this problem. Deviations from the work of Wu, of Walsh, and of O'Connell and Budiansky are attributed to a substitution made by these authors which though an identity for the exact quantities involved, is only approximate in the SCI calculation. This reduces the validity of the equations to first-order effects only. Differences with the results of Kuster and Toksoez are attributed to the fact that the computation of these authors is not self-consistent in the sense used here. A result seems to be the stiffening of the medium as if the pores are held apart. For spherical grains and pores, their calculated moduli are those given by the Hashin-Shtrikman upper bounds. Our calculation reproduces, in the case of spheres, an early result of Budiansky. An additional feature of our work is that the algebra is simpler than in earlier work. We also incorporate into the theory the possibility that fluid-filled pores are interconnected

  20. Scientific fundamentals of the exploration and calculability of a waste repository. Project part III, sub-project 2: Validity and applicability of geochemical models

    International Nuclear Information System (INIS)

    Baumann, J.

    1991-04-01

    The thermodynamic computer models WATEQF, PHREEQE, EQ3NR/EQ6, and SOLMINEQ 88 have been verified for their applicability to describe geochemical processes in the system salt stock/cap rock/ground water, i.e. processes such as dissolution, sedimentation, exchange and redox reactions. To begin with, the hydrochemical data obtained by the hydrogeological survey at the Gorleben site have been evaluated to thus form a reference data base. Then, these data have been used to derive the essential conditions and benchmark data to establish a geochemical model. (HP) [de

  1. Integration of the metal ion charge neutralization model for humic acid complexation into the geochemical speciation code EQ3/6

    International Nuclear Information System (INIS)

    Brendler, V.

    2002-01-01

    Geochemical modeling often requires the consideration of humics as major complexing agent and colloid. The metal ion charge neutralization model can handle respective interactions and has therefore been integrated into the speciation software EQ3/6. An application showing the influence of the pH-dependence of the loading capacity on actinide speciation is given. (orig.)

  2. The evolution of the magmatic arc of Southern Peru (200-60 Ma), Arequipa area: insight from geochemical modeling

    Science.gov (United States)

    Demouy, S.; Benoit, M.; De Saint Blanquat, M.; Brunet, P.

    2012-12-01

    Cordilleran-type batholiths are built by prolonged arc activity along continental margins and may provide detailed magmatic records of the subduction system evolution. The magmas produced in subduction context involve both mantellic and crustal end members and are subject to various petrological processes. The MASH zones (Hildreth and Moorbath, 1988), at the basis of the continental crust, are the best places for the genesis of such hybrid magmas. The various geochemical signatures observed in the plutonic rocks, may also be attributed to source heterogeneities or generated by subsequent petrological processes. This study has focused in the Arequipa section of the Coastal Batholith of Southern Peru (200-60 Ma), in an area extending over 80x40 km. Major and trace elements as well as Sr and Nd isotopic analyses were performed in a set of 100 samples ranging from gabbro to granite. The obtained data highlight the wide heterogeneity of the geochemical signatures that is not related to the classification of the rocks. In first step, Rb/Sr systematic was used to isolate a set of samples plotting along a Paleocene isochron and defining a cogenetic suite. This suite appears to have evolved by simple fractional crystallization. By using reverse modeling, the parameters controlling the fractional crystallization process were defined, as partition coefficients, initial concentrations and amount of fractional crystallization. The other magmatic suites display a wide range of isotopic and geochemical signatures. To explain this heterogeneity, a model involving competition between fractional crystallization and magma mixing into MASH zones was proposed. A large range of hybrid magma types is potentially generated during the maturation of the system, but this range tends to disappear as fractionation and mixing occurs. Finally the model predicts the genesis of a homogeneous reservoir created at depth, from which magmas may evolve only by fractional crystallization. Therefore

  3. Thermodynamically Consistent Algorithms for the Solution of Phase-Field Models

    KAUST Repository

    Vignal, Philippe

    2016-01-01

    of thermodynamically consistent algorithms for time integration of phase-field models. The first part of this thesis focuses on an energy-stable numerical strategy developed for the phase-field crystal equation. This model was put forward to model microstructure

  4. A CVAR scenario for a standard monetary model using theory-consistent expectations

    DEFF Research Database (Denmark)

    Juselius, Katarina

    2017-01-01

    A theory-consistent CVAR scenario describes a set of testable regularities capturing basic assumptions of the theoretical model. Using this concept, the paper considers a standard model for exchange rate determination and shows that all assumptions about the model's shock structure and steady...

  5. Behavioral Consistency of C and Verilog Programs Using Bounded Model Checking

    National Research Council Canada - National Science Library

    Clarke, Edmund; Kroening, Daniel; Yorav, Karen

    2003-01-01

    .... We describe experimental results on various reactive present an algorithm that checks behavioral consistency between an ANSI-C program and a circuit given in Verilog using Bounded Model Checking...

  6. Consistency, Verification, and Validation of Turbulence Models for Reynolds-Averaged Navier-Stokes Applications

    Science.gov (United States)

    Rumsey, Christopher L.

    2009-01-01

    In current practice, it is often difficult to draw firm conclusions about turbulence model accuracy when performing multi-code CFD studies ostensibly using the same model because of inconsistencies in model formulation or implementation in different codes. This paper describes an effort to improve the consistency, verification, and validation of turbulence models within the aerospace community through a website database of verification and validation cases. Some of the variants of two widely-used turbulence models are described, and two independent computer codes (one structured and one unstructured) are used in conjunction with two specific versions of these models to demonstrate consistency with grid refinement for several representative problems. Naming conventions, implementation consistency, and thorough grid resolution studies are key factors necessary for success.

  7. Self-consistent one-gluon exchange in soliton bag models

    International Nuclear Information System (INIS)

    Dodd, L.R.; Adelaide Univ.; Williams, A.G.

    1988-01-01

    The treatment of soliton bag models as two-point boundary value problems is extended to include self-consistent one-gluon exchange interactions. The colour-magnetic contribution to the nucleon-delta mass splitting is calculated self-consistently in the mean-field, one-gluon-exchange approximation for the Friedberg-Lee and Nielsen-Patkos models. Small glueball mass parameters (m GB ∝ 500 MeV) are favoured. Comparisons with previous calculations are made. (orig.)

  8. Predictive geochemical modeling of uranium and other contaminants in laboratory columns in relatively oxidizing, carbonate-rich solutions

    International Nuclear Information System (INIS)

    Longmire, P.; Turney, W.R.; Mason, C.F.V.

    1994-01-01

    Carbonate heap leaching of uranium-contaminated soils and sediments represents a viable, cost-effective remediation technology. Column experiments have been conducted using 0.1, 0.25, and 0.5 M Na 2 CO 3 /NaHCO 3 solutions for leaching uranium from soils located adjacent to an incinerator at the Fernald Environmental Management Project (FEMP) site. Results from column experiments and geochemical modeling are used to quantitatively evaluate the effectiveness of heap leaching. Leach efficiencies of up to 72 wt.% of total uranium in CaO-agglomerated soil result from dissolution of uranium (U(VI)-dominated) minerals, formation of the soluble complex UO 2 (CO 3 ) 3 4- , and uranium desorption from clay minerals, ferric hydroxides, and humic acids. Parameters that control the extent of uranium extraction include pH, Eh, temperature, carbonate concentration, lixiviant-flow rate, pore-solution chemistry, solid phases, and soil texture

  9. Self-consistent assessment of Englert-Schwinger model on atomic properties

    Science.gov (United States)

    Lehtomäki, Jouko; Lopez-Acevedo, Olga

    2017-12-01

    Our manuscript investigates a self-consistent solution of the statistical atom model proposed by Berthold-Georg Englert and Julian Schwinger (the ES model) and benchmarks it against atomic Kohn-Sham and two orbital-free models of the Thomas-Fermi-Dirac (TFD)-λvW family. Results show that the ES model generally offers the same accuracy as the well-known TFD-1/5 vW model; however, the ES model corrects the failure in the Pauli potential near-nucleus region. We also point to the inability of describing low-Z atoms as the foremost concern in improving the present model.

  10. Adjoint-consistent formulations of slip models for coupled electroosmotic flow systems

    KAUST Repository

    Garg, Vikram V

    2014-09-27

    Background Models based on the Helmholtz `slip\\' approximation are often used for the simulation of electroosmotic flows. The objectives of this paper are to construct adjoint-consistent formulations of such models, and to develop adjoint-based numerical tools for adaptive mesh refinement and parameter sensitivity analysis. Methods We show that the direct formulation of the `slip\\' model is adjoint inconsistent, and leads to an ill-posed adjoint problem. We propose a modified formulation of the coupled `slip\\' model, which is shown to be well-posed, and therefore automatically adjoint-consistent. Results Numerical examples are presented to illustrate the computation and use of the adjoint solution in two-dimensional microfluidics problems. Conclusions An adjoint-consistent formulation for Helmholtz `slip\\' models of electroosmotic flows has been proposed. This formulation provides adjoint solutions that can be reliably used for mesh refinement and sensitivity analysis.

  11. Requirements for UML and OWL Integration Tool for User Data Consistency Modeling and Testing

    DEFF Research Database (Denmark)

    Nytun, J. P.; Jensen, Christian Søndergaard; Oleshchuk, V. A.

    2003-01-01

    The amount of data available on the Internet is continuously increasing, consequentially there is a growing need for tools that help to analyse the data. Testing of consistency among data received from different sources is made difficult by the number of different languages and schemas being used....... In this paper we analyze requirements for a tool that support integration of UML models and ontologies written in languages like the W3C Web Ontology Language (OWL). The tool can be used in the following way: after loading two legacy models into the tool, the tool user connects them by inserting modeling......, an important part of this technique is attaching of OCL expressions to special boolean class attributes that we call consistency attributes. The resulting integration model can be used for automatic consistency testing of two instances of the legacy models by automatically instantiate the whole integration...

  12. Lead transport in intra-oceanic subduction zones: 2D geochemical-thermo-mechanical modeling of isotopic signatures

    NARCIS (Netherlands)

    Baitsch-Ghirardello, B.; Stracke, A.; Connolly, J.A.D.; Nikolaeva, K.M.; Gerya, T.V.

    2014-01-01

    Understanding the physical-chemical mechanisms and pathways of geochemical transport in subduction zones remains a long-standing goal of subduction-related research. In this study, we perform fully coupled geochemical-thermo-mechanical (GcTM) numerical simulations to investigate Pb isotopic

  13. Estimating long-term volatility parameters for market-consistent models

    African Journals Online (AJOL)

    Contemporary actuarial and accounting practices (APN 110 in the South African context) require the use of market-consistent models for the valuation of embedded investment derivatives. These models have to be calibrated with accurate and up-to-date market data. Arguably, the most important variable in the valuation of ...

  14. New geometric design consistency model based on operating speed profiles for road safety evaluation.

    Science.gov (United States)

    Camacho-Torregrosa, Francisco J; Pérez-Zuriaga, Ana M; Campoy-Ungría, J Manuel; García-García, Alfredo

    2013-12-01

    To assist in the on-going effort to reduce road fatalities as much as possible, this paper presents a new methodology to evaluate road safety in both the design and redesign stages of two-lane rural highways. This methodology is based on the analysis of road geometric design consistency, a value which will be a surrogate measure of the safety level of the two-lane rural road segment. The consistency model presented in this paper is based on the consideration of continuous operating speed profiles. The models used for their construction were obtained by using an innovative GPS-data collection method that is based on continuous operating speed profiles recorded from individual drivers. This new methodology allowed the researchers to observe the actual behavior of drivers and to develop more accurate operating speed models than was previously possible with spot-speed data collection, thereby enabling a more accurate approximation to the real phenomenon and thus a better consistency measurement. Operating speed profiles were built for 33 Spanish two-lane rural road segments, and several consistency measurements based on the global and local operating speed were checked. The final consistency model takes into account not only the global dispersion of the operating speed, but also some indexes that consider both local speed decelerations and speeds over posted speeds as well. For the development of the consistency model, the crash frequency for each study site was considered, which allowed estimating the number of crashes on a road segment by means of the calculation of its geometric design consistency. Consequently, the presented consistency evaluation method is a promising innovative tool that can be used as a surrogate measure to estimate the safety of a road segment. Copyright © 2012 Elsevier Ltd. All rights reserved.

  15. Performance of a Zerovalent Iron Reactive Barrier for the Treatment of Arsenic in Groundwater: Part 2. Geochemical Modeling and Solid Phase Studies

    Science.gov (United States)

    Arsenic uptake processes were evaluated in a zerovalent iron reactive barrier installed at a lead smelting facility using geochemical modeling, solid-phase analysis, and X-ray absorption spectroscopy techniques. Aqueous speciation of arsenic plays a key role in directing arsenic...

  16. Self-consistent model calculations of the ordered S-matrix and the cylinder correction

    International Nuclear Information System (INIS)

    Millan, J.

    1977-11-01

    The multiperipheral ordered bootstrap of Rosenzweig and Veneziano is studied by using dual triple Regge couplings exhibiting the required threshold behavior. In the interval -0.5 less than or equal to t less than or equal to 0.8 GeV 2 self-consistent reggeon couplings and propagators are obtained for values of Regge slopes and intercepts consistent with the physical values for the leading natural-parity Regge trajectories. Cylinder effects on planar pole positions and couplings are calculated. By use of an unsymmetrical planar π--rho reggeon loop model, self-consistent solutions are obtained for the unnatural-parity mesons in the interval -0.5 less than or equal to t less than or equal to 0.6 GeV 2 . The effects of other Regge poles being neglected, the model gives a value of the π--eta splitting consistent with experiment. 24 figures, 1 table, 25 references

  17. Precommitted Investment Strategy versus Time-Consistent Investment Strategy for a General Risk Model with Diffusion

    Directory of Open Access Journals (Sweden)

    Lidong Zhang

    2014-01-01

    Full Text Available We mainly study a general risk model and investigate the precommitted strategy and the time-consistent strategy under mean-variance criterion, respectively. A lagrange method is proposed to derive the precommitted investment strategy. Meanwhile from the game theoretical perspective, we find the time-consistent investment strategy by solving the extended Hamilton-Jacobi-Bellman equations. By comparing the precommitted strategy with the time-consistent strategy, we find that the company under the time-consistent strategy has to give up the better current utility in order to keep a consistent satisfaction over the whole time horizon. Furthermore, we theoretically and numerically provide the effect of the parameters on these two optimal strategies and the corresponding value functions.

  18. Simulation of the effects of phosphate on adsorption of arsenite and arsenate on ferrihydrite matrix using a geochemical equilibrium model

    International Nuclear Information System (INIS)

    Kassenga, G.R.

    2005-01-01

    Arsenic is of environmental concern because of its toxicity to plants, animals, and human beings. Iron oxides, including the poorly crystalline (amorphous) iron oxides, e.g., ferrihydrite, have a strong affinity for both arsenite and arsenate (the most toxic species of arsenic). In view of this, adsorption on ferrihydrite matrix is the main process of immobilization of arsenic in groundwater. The presence of phosphate in groundwater may however limit adsorption of arsenic on iron oxides due to competition for adsorption sites, resulting in higher aqueous concentrations in some environments. This paper analyses the effects of phosphate on aqueous concentration of arsenic at different pH using a geochemical equilibrium simulation model. It specifically focuses on arsenite and arsenate, the most toxic forms of arsenic. A general description of the occurrence of arsenic in the environment, its toxicity, and health hazards is first given. The paper discusses sources and geochemical processes that control arsenic mobility in aquifers. Adsorption and desorption reactions of arsenic on ferrihydrite and the factors that affect them are described. Modeling of adsorption/desorption processes is then discussed. Finally, the effects of phosphate on adsorption and desorption processes of arsenic on ferrihydrite as a function of pH are analyzed using PHREEQC Version 2, a computer program for simulating chemical reactions and transport processes in natural and polluted water. The model is applied in a case study formulated on the basis of a realistic hydrogeochemical setting to demonstrate how the use of arsenical pesticides and phosphate fertilizers may pose potential public health problems in areas where groundwater is used for domestic purposes. The modeling results have shown that aqueous concentration of arsenic increases with increasing phosphate-phosphorus concentration for pH values less than 10 assuming that ferrihydrite concentration and other hydrogeochemical conditions

  19. Development of a Model of Geophysical and Geochemical Controls on Abiotic Carbon Cycling on Earth-Like Planets

    Science.gov (United States)

    Neveu, M.; Felton, R.; Domagal-Goldman, S. D.; Desch, S. J.; Arney, G. N.

    2017-12-01

    About 20 Earth-sized planets (0.6-1.6 Earth masses and radii) have now been discovered beyond our solar system [1]. Although such planets are prime targets in the upcoming search for atmospheric biosignatures, their composition, geology, and climate are essentially unconstrained. Yet, developing an understanding of how these factors influence planetary evolution through time and space is essential to establishing abiotic backgrounds against which any deviations can provide evidence for biological activity. To this end, we are building coupled geophysical-geochemical models of abiotic carbon cycling on such planets. Our models are controlled by atmospheric factors such as temperature and composition, and compute interior inputs to atmospheric species. They account for crustal weathering, ocean-atmosphere equilibria, and exchange with the deep interior as a function of planet composition and size (and, eventually, age).Planets in other solar systems differ from the Earth not only in their bulk physical properties, but also likely in their bulk chemical composition [2], which influences key parameters such as the vigor of mantle convection and the near-surface redox state. Therefore, simulating how variations in such parameters affect carbon cycling requires us to simulate the above processes from first principles, rather than by using arbitrary parameterizations derived from observations as is often done with models of carbon cycling on Earth [3] or extrapolations thereof [4]. As a first step, we have developed a kinetic model of crustal weathering using the PHREEQC code [5] and kinetic data from [6]. We will present the ability of such a model to replicate Earth's carbon cycle using, for the time being, parameterizations for surface-interior-atmosphere exchange processes such as volcanism (e.g., [7]).[1] exoplanet.eu, 7/28/2017.[2] Young et al. (2014) Astrobiology 14, 603-626.[3] Lerman & Wu (2008) Kinetics of Global Geochemical Cycles. In Kinetics of Water

  20. Hydrogeological modeling constraints provided by geophysical and geochemical mapping of a chlorinated ethenes plume in northern France

    Science.gov (United States)

    Razafindratsima, Stephen; Guérin, Roger; Bendjoudi, Hocine; de Marsily, Ghislain

    2014-09-01

    A methodological approach is described which combines geophysical and geochemical data to delineate the extent of a chlorinated ethenes plume in northern France; the methodology was used to calibrate a hydrogeological model of the contaminants' migration and degradation. The existence of strong reducing conditions in some parts of the aquifer is first determined by measuring in situ the redox potential and dissolved oxygen, dissolved ferrous iron and chloride concentrations. Electrical resistivity imaging and electromagnetic mapping, using the Slingram method, are then used to determine the shape of the pollutant plume. A decreasing empirical exponential relation between measured chloride concentrations in the water and aquifer electrical resistivity is observed; the resistivity formation factor calculated at a few points also shows a major contribution of chloride concentration in the resistivity of the saturated porous medium. MODFLOW software and MT3D99 first-order parent-daughter chain reaction and the RT3D aerobic-anaerobic model for tetrachloroethene (PCE)/trichloroethene (TCE) dechlorination are finally used for a first attempt at modeling the degradation of the chlorinated ethenes. After calibration, the distribution of the chlorinated ethenes and their degradation products simulated with the model approximately reflects the mean measured values in the observation wells, confirming the data-derived image of the plume.

  1. Assessment of the oxygen consumption in the backfill. Geochemical modelling in a saturated backfill

    International Nuclear Information System (INIS)

    Grandia, Fidel; Domenech, Cristina; Arcos, David; Duro, Lara

    2006-11-01

    The consumption of oxygen in the deep disposal is a major concern due to the ability of this element to corrode the canisters where high level nuclear wastes (HLNW) are disposed. The anoxic conditions initially present in a deep geologic environment are disturbed by the excavation of the repository facilities. After sealing the deposition holes and tunnels using clay-based materials, oxygen remains dissolved in porewater or as a gas phase in the unsaturated pores. The main mechanisms of oxygen depletion that can be considered in the backfill materials are: (1) diffusion into the surrounding rock and (2) kinetic reactions with accessory minerals and organic matter existing in the backfill. In this report, a set of numerical simulations are carried out in one and two dimensions in order to test the effect on the oxygen concentration in the pore water of all these mechanisms. The backfill considered is a 0/70 mixture of MX-80 bentonite and crushed material from the excavation itself. In addition to organic matter, the solid phases with reducing capacity in the backfill are Fe(II)-bearing minerals: pyrite (FeS 2 ) and siderite (FeCO) (as accessory minerals in the bentonite) and Fe-biotite (from the crushed granite). In the simulations, other chemical processes like cation exchange and surface complexation onto clay surfaces, and thermodynamic equilibrium with calcite, gypsum and quartz are considered. Initial composition of porewater is obtained by equilibrating the Forsmark groundwater with the backfill material. The 1D simulation consists of a number of cells with no reactive minerals or organic matter representing granite. The central cell, however, contains oxygen and reactive minerals resembling a backfill. Oxygen is allowed to move only by diffusion. The 2D model simulates the interaction with a backfill of a granitic groundwater flowing through a fracture. Like in the 1D model, the backfill contains oxygen and reactive solids. The results are very similar in

  2. Assessment of the oxygen consumption in the backfill. Geochemical modelling in a saturated backfill

    Energy Technology Data Exchange (ETDEWEB)

    Grandia, Fidel; Domenech, Cristina; Arcos, David; Duro, Lara [Enviros Spain S.L., Barcelona (Spain)

    2006-11-15

    The consumption of oxygen in the deep disposal is a major concern due to the ability of this element to corrode the canisters where high level nuclear wastes (HLNW) are disposed. The anoxic conditions initially present in a deep geologic environment are disturbed by the excavation of the repository facilities. After sealing the deposition holes and tunnels using clay-based materials, oxygen remains dissolved in porewater or as a gas phase in the unsaturated pores. The main mechanisms of oxygen depletion that can be considered in the backfill materials are: (1) diffusion into the surrounding rock and (2) kinetic reactions with accessory minerals and organic matter existing in the backfill. In this report, a set of numerical simulations are carried out in one and two dimensions in order to test the effect on the oxygen concentration in the pore water of all these mechanisms. The backfill considered is a 0/70 mixture of MX-80 bentonite and crushed material from the excavation itself. In addition to organic matter, the solid phases with reducing capacity in the backfill are Fe(II)-bearing minerals: pyrite (FeS{sub 2}) and siderite (FeCO) (as accessory minerals in the bentonite) and Fe-biotite (from the crushed granite). In the simulations, other chemical processes like cation exchange and surface complexation onto clay surfaces, and thermodynamic equilibrium with calcite, gypsum and quartz are considered. Initial composition of porewater is obtained by equilibrating the Forsmark groundwater with the backfill material. The 1D simulation consists of a number of cells with no reactive minerals or organic matter representing granite. The central cell, however, contains oxygen and reactive minerals resembling a backfill. Oxygen is allowed to move only by diffusion. The 2D model simulates the interaction with a backfill of a granitic groundwater flowing through a fracture. Like in the 1D model, the backfill contains oxygen and reactive solids. The results are very similar in

  3. Uranyl adsorption and surface speciation at the imogolite-water interface: Self-consistent spectroscopic and surface complexation models

    Science.gov (United States)

    Arai, Y.; McBeath, M.; Bargar, J.R.; Joye, J.; Davis, J.A.

    2006-01-01

    Macro- and molecular-scale knowledge of uranyl (U(VI)) partitioning reactions with soil/sediment mineral components is important in predicting U(VI) transport processes in the vadose zone and aquifers. In this study, U(VI) reactivity and surface speciation on a poorly crystalline aluminosilicate mineral, synthetic imogolite, were investigated using batch adsorption experiments, X-ray absorption spectroscopy (XAS), and surface complexation modeling. U(VI) uptake on imogolite surfaces was greatest at pH ???7-8 (I = 0.1 M NaNO3 solution, suspension density = 0.4 g/L [U(VI)]i = 0.01-30 ??M, equilibration with air). Uranyl uptake decreased with increasing sodium nitrate concentration in the range from 0.02 to 0.5 M. XAS analyses show that two U(VI) inner-sphere (bidentate mononuclear coordination on outer-wall aluminol groups) and one outer-sphere surface species are present on the imogolite surface, and the distribution of the surface species is pH dependent. At pH 8.8, bis-carbonato inner-sphere and tris-carbonato outer-sphere surface species are present. At pH 7, bis- and non-carbonato inner-sphere surface species co-exist, and the fraction of bis-carbonato species increases slightly with increasing I (0.1-0.5 M). At pH 5.3, U(VI) non-carbonato bidentate mononuclear surface species predominate (69%). A triple layer surface complexation model was developed with surface species that are consistent with the XAS analyses and macroscopic adsorption data. The proton stoichiometry of surface reactions was determined from both the pH dependence of U(VI) adsorption data in pH regions of surface species predominance and from bond-valence calculations. The bis-carbonato species required a distribution of surface charge between the surface and ?? charge planes in order to be consistent with both the spectroscopic and macroscopic adsorption data. This research indicates that U(VI)-carbonato ternary species on poorly crystalline aluminosilicate mineral surfaces may be important in

  4. A non-parametric consistency test of the ΛCDM model with Planck CMB data

    Energy Technology Data Exchange (ETDEWEB)

    Aghamousa, Amir; Shafieloo, Arman [Korea Astronomy and Space Science Institute, Daejeon 305-348 (Korea, Republic of); Hamann, Jan, E-mail: amir@aghamousa.com, E-mail: jan.hamann@unsw.edu.au, E-mail: shafieloo@kasi.re.kr [School of Physics, The University of New South Wales, Sydney NSW 2052 (Australia)

    2017-09-01

    Non-parametric reconstruction methods, such as Gaussian process (GP) regression, provide a model-independent way of estimating an underlying function and its uncertainty from noisy data. We demonstrate how GP-reconstruction can be used as a consistency test between a given data set and a specific model by looking for structures in the residuals of the data with respect to the model's best-fit. Applying this formalism to the Planck temperature and polarisation power spectrum measurements, we test their global consistency with the predictions of the base ΛCDM model. Our results do not show any serious inconsistencies, lending further support to the interpretation of the base ΛCDM model as cosmology's gold standard.

  5. Development of a Model for Dynamic Recrystallization Consistent with the Second Derivative Criterion

    Directory of Open Access Journals (Sweden)

    Muhammad Imran

    2017-11-01

    Full Text Available Dynamic recrystallization (DRX processes are widely used in industrial hot working operations, not only to keep the forming forces low but also to control the microstructure and final properties of the workpiece. According to the second derivative criterion (SDC by Poliak and Jonas, the onset of DRX can be detected from an inflection point in the strain-hardening rate as a function of flow stress. Various models are available that can predict the evolution of flow stress from incipient plastic flow up to steady-state deformation in the presence of DRX. Some of these models have been implemented into finite element codes and are widely used for the design of metal forming processes, but their consistency with the SDC has not been investigated. This work identifies three sources of inconsistencies that models for DRX may exhibit. For a consistent modeling of the DRX kinetics, a new strain-hardening model for the hardening stages III to IV is proposed and combined with consistent recrystallization kinetics. The model is devised in the Kocks-Mecking space based on characteristic transition in the strain-hardening rate. A linear variation of the transition and inflection points is observed for alloy 800H at all tested temperatures and strain rates. The comparison of experimental and model results shows that the model is able to follow the course of the strain-hardening rate very precisely, such that highly accurate flow stress predictions are obtained.

  6. Self-consistent atmosphere modeling with cloud formation for low-mass stars and exoplanets

    Science.gov (United States)

    Juncher, Diana; Jørgensen, Uffe G.; Helling, Christiane

    2017-12-01

    Context. Low-mass stars and extrasolar planets have ultra-cool atmospheres where a rich chemistry occurs and clouds form. The increasing amount of spectroscopic observations for extrasolar planets requires self-consistent model atmosphere simulations to consistently include the formation processes that determine cloud formation and their feedback onto the atmosphere. Aims: Our aim is to complement the MARCS model atmosphere suit with simulations applicable to low-mass stars and exoplanets in preparation of E-ELT, JWST, PLATO and other upcoming facilities. Methods: The MARCS code calculates stellar atmosphere models, providing self-consistent solutions of the radiative transfer and the atmospheric structure and chemistry. We combine MARCS with a kinetic model that describes cloud formation in ultra-cool atmospheres (seed formation, growth/evaporation, gravitational settling, convective mixing, element depletion). Results: We present a small grid of self-consistently calculated atmosphere models for Teff = 2000-3000 K with solar initial abundances and log (g) = 4.5. Cloud formation in stellar and sub-stellar atmospheres appears for Teff day-night energy transport and no temperature inversion.

  7. A consistency assessment of coupled cohesive zone models for mixed-mode debonding problems

    Directory of Open Access Journals (Sweden)

    R. Dimitri

    2014-07-01

    Full Text Available Due to their simplicity, cohesive zone models (CZMs are very attractive to describe mixed-mode failure and debonding processes of materials and interfaces. Although a large number of coupled CZMs have been proposed, and despite the extensive related literature, little attention has been devoted to ensuring the consistency of these models for mixed-mode conditions, primarily in a thermodynamical sense. A lack of consistency may affect the local or global response of a mechanical system. This contribution deals with the consistency check for some widely used exponential and bilinear mixed-mode CZMs. The coupling effect on stresses and energy dissipation is first investigated and the path-dependance of the mixed-mode debonding work of separation is analitically evaluated. Analytical predictions are also compared with results from numerical implementations, where the interface is described with zero-thickness contact elements. A node-to-segment strategy is here adopted, which incorporates decohesion and contact within a unified framework. A new thermodynamically consistent mixed-mode CZ model based on a reformulation of the Xu-Needleman model as modified by van den Bosch et al. is finally proposed and derived by applying the Coleman and Noll procedure in accordance with the second law of thermodynamics. The model holds monolithically for loading and unloading processes, as well as for decohesion and contact, and its performance is demonstrated through suitable examples.

  8. Modelling of long term geochemical evolution and study of mechanical perturbation of bentonite buffer of a KBS-3 repository

    Energy Technology Data Exchange (ETDEWEB)

    Marsal, Francois; Pellegrini, Delphine; Deleruyelle, Frederic; Serres, Christophe (French Institute for Radiological Protection and Nuclear Safety (IRSN) (FR)); Windt, Laurent de (Paris School of Mines (ENSMP) (FR))

    2008-03-15

    The Swedish Nuclear Fuel and Waste Management Co. (SKB) has recently completed a safety assessment project named SR-Can, related to the KBS-3 disposal concept. In this concept, the waste packages are surrounded by a buffer made of either MX-80 or Deponit CA-N bentonite. Interactions between the buffer and groundwater may modify the buffer composition and thus its containment properties. The Swedish Radiation Protection Authorities (SSI) requested the French Institute for Radiological Protection and Nuclear Safety (IRSN) to perform the present study in support of SSI review of the SR-Can report. The purpose is to assess the geochemical evolution of both potential buffer materials due to the intrusion of different types of groundwater, with a similar modelling layout to that reported in SR-Can. Three main categories of water inflows via a fracture intersecting a deposition hole are considered: the Forsmark reference groundwater, a high-salinity groundwater to account for up-rise of deep-seated brines and a diluted water representing ice-melting derived groundwater. In addition to this, the redox buffering capacity of Deponit CA-N bentonite and the thermal effect on MX-80 bentonite geochemistry have been assessed. This modelling work has been performed using the reactive transport modelling code HYTEC. The main outcome of the present study is that the intrusion of the considered groundwaters should not affect drastically the geochemistry of neither the Deponit CA-N nor the MX-80 bentonite on the long-term (100,000 y). Bentonite pH may reach high values (up to 10.5) in some cases but does not reach SKB criterion value related to bentonite chemical stability. Dissolution-precipitation of accessory minerals is not significant enough to induce important porosity changes (rise by maximum 2 %). Globally, the montmorillonite exchanger undergoes Na by Ca partial replacement, which may decrease the swelling pressure of the bentonite. The simulated intrusion of oxidizing waters

  9. Modelling of long term geochemical evolution and study of mechanical perturbation of bentonite buffer of a KBS-3 repository

    International Nuclear Information System (INIS)

    Marsal, Francois; Pellegrini, Delphine; Deleruyelle, Frederic; Serres, Chris tophe; Windt, Laurent de

    2008-03-01

    The Swedish Nuclear Fuel and Waste Management Co. (SKB) has recently completed a safety assessment project named SR-Can, related to the KBS-3 disposal concept. In this concept, the waste packages are surrounded by a buffer made of either MX-80 or Deponit CA-N bentonite. Interactions between the buffer and groundwater may modify the buffer composition and thus its containment properties. The Swedish Radiation Protection Authorities (SSI) requested the French Institute for Radiological Protection and Nuclear Safety (IRSN) to perform the present study in support of SSI review of the SR-Can report. The purpose is to assess the geochemical evolution of both potential buffer materials due to the intrusion of different types of groundwater, with a similar modelling layout to that reported in SR-Can. Three main categories of water inflows via a fracture intersecting a deposition hole are considered: the Forsmark reference groundwater, a high-salinity groundwater to account for up-rise of deep-seated brines and a diluted water representing ice-melting derived groundwater. In addition to this, the redox buffering capacity of Deponit CA-N bentonite and the thermal effect on MX-80 bentonite geochemistry have been assessed. This modelling work has been performed using the reactive transport modelling code HYTEC. The main outcome of the present study is that the intrusion of the considered groundwaters should not affect drastically the geochemistry of neither the Deponit CA-N nor the MX-80 bentonite on the long-term (100,000 y). Bentonite pH may reach high values (up to 10.5) in some cases but does not reach SKB criterion value related to bentonite chemical stability. Dissolution-precipitation of accessory minerals is not significant enough to induce important porosity changes (rise by maximum 2 %). Globally, the montmorillonite exchanger undergoes Na by Ca partial replacement, which may decrease the swelling pressure of the bentonite. The simulated intrusion of oxidizing waters

  10. Towards an Information Model of Consistency Maintenance in Distributed Interactive Applications

    Directory of Open Access Journals (Sweden)

    Xin Zhang

    2008-01-01

    Full Text Available A novel framework to model and explore predictive contract mechanisms in distributed interactive applications (DIAs using information theory is proposed. In our model, the entity state update scheme is modelled as an information generation, encoding, and reconstruction process. Such a perspective facilitates a quantitative measurement of state fidelity loss as a result of the distribution protocol. Results from an experimental study on a first-person shooter game are used to illustrate the utility of this measurement process. We contend that our proposed model is a starting point to reframe and analyse consistency maintenance in DIAs as a problem in distributed interactive media compression.

  11. Precommitted Investment Strategy versus Time-Consistent Investment Strategy for a Dual Risk Model

    Directory of Open Access Journals (Sweden)

    Lidong Zhang

    2014-01-01

    Full Text Available We are concerned with optimal investment strategy for a dual risk model. We assume that the company can invest into a risk-free asset and a risky asset. Short-selling and borrowing money are allowed. Due to lack of iterated-expectation property, the Bellman Optimization Principle does not hold. Thus we investigate the precommitted strategy and time-consistent strategy, respectively. We take three steps to derive the precommitted investment strategy. Furthermore, the time-consistent investment strategy is also obtained by solving the extended Hamilton-Jacobi-Bellman equations. We compare the precommitted strategy with time-consistent strategy and find that these different strategies have different advantages: the former can make value function maximized at the original time t=0 and the latter strategy is time-consistent for the whole time horizon. Finally, numerical analysis is presented for our results.

  12. "A Simplified 'Benchmark” Stock-flow Consistent (SFC) Post-Keynesian Growth Model"

    OpenAIRE

    Claudio H. Dos Santos; Gennaro Zezza

    2007-01-01

    Despite being arguably one of the most active areas of research in heterodox macroeconomics, the study of the dynamic properties of stock-flow consistent (SFC) growth models of financially sophisticated economies is still in its early stages. This paper attempts to offer a contribution to this line of research by presenting a simplified Post-Keynesian SFC growth model with well-defined dynamic properties, and using it to shed light on the merits and limitations of the current heterodox SFC li...

  13. Self consistent MHD modeling of the solar wind from coronal holes with distinct geometries

    Science.gov (United States)

    Stewart, G. A.; Bravo, S.

    1995-01-01

    Utilizing an iterative scheme, a self-consistent axisymmetric MHD model for the solar wind has been developed. We use this model to evaluate the properties of the solar wind issuing from the open polar coronal hole regions of the Sun, during solar minimum. We explore the variation of solar wind parameters across the extent of the hole and we investigate how these variations are affected by the geometry of the hole and the strength of the field at the coronal base.

  14. A pedestal temperature model with self-consistent calculation of safety factor and magnetic shear

    International Nuclear Information System (INIS)

    Onjun, T; Siriburanon, T; Onjun, O

    2008-01-01

    A pedestal model based on theory-motivated models for the pedestal width and the pedestal pressure gradient is developed for the temperature at the top of the H-mode pedestal. The pedestal width model based on magnetic shear and flow shear stabilization is used in this study, where the pedestal pressure gradient is assumed to be limited by first stability of infinite n ballooning mode instability. This pedestal model is implemented in the 1.5D BALDUR integrated predictive modeling code, where the safety factor and magnetic shear are solved self-consistently in both core and pedestal regions. With the self-consistently approach for calculating safety factor and magnetic shear, the effect of bootstrap current can be correctly included in the pedestal model. The pedestal model is used to provide the boundary conditions in the simulations and the Multi-mode core transport model is used to describe the core transport. This new integrated modeling procedure of the BALDUR code is used to predict the temperature and density profiles of 26 H-mode discharges. Simulations are carried out for 13 discharges in the Joint European Torus and 13 discharges in the DIII-D tokamak. The average root-mean-square deviation between experimental data and the predicted profiles of the temperature and the density, normalized by their central values, is found to be about 14%

  15. Self-consistent approximation for muffin-tin models of random substitutional alloys with environmental disorder

    International Nuclear Information System (INIS)

    Kaplan, T.; Gray, L.J.

    1984-01-01

    The self-consistent approximation of Kaplan, Leath, Gray, and Diehl is applied to models for substitutional random alloys with muffin-tin potentials. The particular advantage of this approximation is that, in addition to including cluster scattering, the muffin-tin potentials in the alloy can depend on the occupation of the surrounding sites (i.e., environmental disorder is included)

  16. A new self-consistent model for thermodynamics of binary solutions

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Jiří; Shan, Y. V.; Fischer, F. D.

    2015-01-01

    Roč. 108, NOV (2015), s. 27-30 ISSN 1359-6462 R&D Projects: GA ČR(CZ) GA14-24252S Institutional support: RVO:68081723 Keywords : Thermodynamics * Analytical methods * CALPHAD * Phase diagram * Self-consistent model Subject RIV: BJ - Thermodynamics Impact factor: 3.305, year: 2015

  17. Comment on self-consistent model of black hole formation and evaporation

    International Nuclear Information System (INIS)

    Ho, Pei-Ming

    2015-01-01

    In an earlier work, Kawai et al. proposed a model of black-hole formation and evaporation, in which the geometry of a collapsing shell of null dust is studied, including consistently the back reaction of its Hawking radiation. In this note, we illuminate the implications of their work, focusing on the resolution of the information loss paradox and the problem of the firewall.

  18. Topologically Consistent Models for Efficient Big Geo-Spatio Data Distribution

    Science.gov (United States)

    Jahn, M. W.; Bradley, P. E.; Doori, M. Al; Breunig, M.

    2017-10-01

    Geo-spatio-temporal topology models are likely to become a key concept to check the consistency of 3D (spatial space) and 4D (spatial + temporal space) models for emerging GIS applications such as subsurface reservoir modelling or the simulation of energy and water supply of mega or smart cities. Furthermore, the data management for complex models consisting of big geo-spatial data is a challenge for GIS and geo-database research. General challenges, concepts, and techniques of big geo-spatial data management are presented. In this paper we introduce a sound mathematical approach for a topologically consistent geo-spatio-temporal model based on the concept of the incidence graph. We redesign DB4GeO, our service-based geo-spatio-temporal database architecture, on the way to the parallel management of massive geo-spatial data. Approaches for a new geo-spatio-temporal and object model of DB4GeO meeting the requirements of big geo-spatial data are discussed in detail. Finally, a conclusion and outlook on our future research are given on the way to support the processing of geo-analytics and -simulations in a parallel and distributed system environment.

  19. ICFD modeling of final settlers - developing consistent and effective simulation model structures

    DEFF Research Database (Denmark)

    Plósz, Benedek G.; Guyonvarch, Estelle; Ramin, Elham

    CFD concept. The case of secondary settling tanks (SSTs) is used to demonstrate the methodological steps using the validated CFD model with the hindered-transientcompression settling velocity model by (10). Factor screening and latin hypercube sampling (LSH) are used to degenerate a 2-D axi-symmetrical CFD...... of (i) assessing different density current sub-models; (ii) implementation of a combined flocculation, hindered, transient and compression settling velocity function; and (iii) assessment of modelling the onset of transient and compression settling. Results suggest that the iCFD model developed...... the feed-layer. These scenarios were inspired by literature (1; 2; 9). As for the D0--iCFD model, values of SSRE obtained are below 1 with an average SSRE=0.206. The simulation model thus can predict the solids distribution inside the tank with a satisfactory accuracy. Averaged relative errors of 8.1 %, 3...

  20. Investigating the Geochemical Model for Molybdenum Mineralization in the JEB Tailings Management Facility at McClean Lake, Saskatchewan: An X-ray Absorption Spectroscopy Study.

    Science.gov (United States)

    Blanchard, Peter E R; Hayes, John R; Grosvenor, Andrew P; Rowson, John; Hughes, Kebbi; Brown, Caitlin

    2015-06-02

    The geochemical model for Mo mineralization in the JEB Tailings Management Facility (JEB TMF), operated by AREVA Resources Canada at McClean Lake, Saskatchewan, was investigated using X-ray Absorption Near-Edge Spectroscopy (XANES), an elemental-specific technique that is sensitive to low elemental concentrations. Twenty five samples collected during the 2013 sampling campaign from various locations and depths in the TMF were analyzed by XANES. Mo K-edge XANES analysis indicated that the tailings consisted primarily of Mo(6+) species: powellite (CaMoO4), ferrimolybdite (Fe2(MoO4)3·8H2O), and molybdate adsorbed on ferrihydrite (Fe(OH)3 - MoO4). A minor concentration of a Mo(4+) species in the form of molybdenite (MoS2) was also present. Changes in the Mo mineralization over time were inferred by comparing the relative amounts of the Mo species in the tailings to the independently measured aqueous Mo pore water concentration. It was found that ferrimolybdite and molybdate adsorbed on ferrihydrite initially dissolves in the TMF and precipitates as powellite.

  1. Significance of geochemical characterization to performance at Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Simmons, A.M.

    1993-01-01

    The U.S. concept for permanent disposal of high-level radioactive waste resembles those of other countries in that it relies upon burial in a deep geologic medium. This concept relies upon multiple barriers to retard transport of radionuclides to the accessible environment; those barriers consist of the waste form, waste container, engineered barrier system (including possible backfill) and retardant properties of the host rock. Because mobilization of radionuclides is fundamentally a geochemical problem, an understanding of past, present, and future geochemical processes is a requisite part of site characterization studies conducted by the U.S. Department of Energy at Yucca Mountain, Nevada. Geochemical information is needed for evaluating three favorable conditions (the rates of geochemical processes, conditions that promote precipitation or sorption of radionuclides or prohibit formation of colloids, and stable mineral assemblages) and four potentially adverse conditions of the site (groundwater conditions that could increase the chemical reactivity of the engineered barried system or reduce sorption, potential for gaseous radionuclide movement, and oxidizing groundwaters) for key issues of radionuclide release, groundwater quality, and stability of the geochemical environment. Preliminary results of long-term heating experiments indicate that although zeolites can be modified by long-term, low temperature reactions, their beneficial sorptive properties will not be adversely affected. Mineral reactions will be controlled by the aqueous activity of silica in groundwater with which the minerals are in contact. Geochemical barriers alone may satisfy release requirements to the accessible environment for many radionuclides; however, additional site specific geochemical and mineralogical data are needed to test existing and future radionuclide transport models

  2. Self-consistency in the phonon space of the particle-phonon coupling model

    Science.gov (United States)

    Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.

    2018-04-01

    In the paper the nonlinear generalization of the time blocking approximation (TBA) is presented. The TBA is one of the versions of the extended random-phase approximation (RPA) developed within the Green-function method and the particle-phonon coupling model. In the generalized version of the TBA the self-consistency principle is extended onto the phonon space of the model. The numerical examples show that this nonlinear version of the TBA leads to the convergence of results with respect to enlarging the phonon space of the model.

  3. Consistency maintenance for constraint in role-based access control model

    Institute of Scientific and Technical Information of China (English)

    韩伟力; 陈刚; 尹建伟; 董金祥

    2002-01-01

    Constraint is an important aspect of role-based access control and is sometimes argued to be the principal motivation for role-based access control (RBAC). But so far few authors have discussed consistency maintenance for constraint in RBAC model. Based on researches of constraints among roles and types of inconsistency among constraints, this paper introduces corresponding formal rules, rule-based reasoning and corresponding methods to detect, avoid and resolve these inconsistencies. Finally, the paper introduces briefly the application of consistency maintenance in ZD-PDM, an enterprise-oriented product data management (PDM) system.

  4. Consistency maintenance for constraint in role-based access control model

    Institute of Scientific and Technical Information of China (English)

    韩伟力; 陈刚; 尹建伟; 董金祥

    2002-01-01

    Constraint is an important aspect of role-based access control and is sometimes argued to be the principal motivation for role-based access control (RBAC). But so far'few authors have discussed consistency maintenance for constraint in RBAC model. Based on researches of constraints among roles and types of inconsistency among constraints, this paper introduces correaponding formal rules, rulebased reasoning and corresponding methods to detect, avoid and resolve these inconsistencies. Finally,the paper introduces briefly the application of consistency maintenance in ZD-PDM, an enterprise-ori-ented product data management (PDM) system.

  5. Addendum to: Derivation of in situ opalinus clay porewater compositions from experimental and geochemical modelling studies

    International Nuclear Information System (INIS)

    Bradbury, M.H.; Baeyens; Pearson, F.J.; Berner, U.

    1998-01-01

    As part of the synthesis of water chemistry studies within the hydrochemical program at Mont Terri (Switzerland), a reexamination of the modelling method showed that it should lead to a range of water compositions rather than to a single composition. The single composition resulted from two compensating oversights, a theoretical one and a modelling one. These are discussed in this Addendum. (author)

  6. Lattice Boltzmann based multicomponent reactive transport model coupled with geochemical solver for scale simulations

    NARCIS (Netherlands)

    Patel, R.A.; Perko, J.; Jaques, D.; De Schutter, G.; Ye, G.; Van Breugel, K.

    2013-01-01

    A Lattice Boltzmann (LB) based reactive transport model intended to capture reactions and solid phase changes occurring at the pore scale is presented. The proposed approach uses LB method to compute multi component mass transport. The LB multi-component transport model is then coupled with the

  7. A consistent modelling methodology for secondary settling tanks in wastewater treatment.

    Science.gov (United States)

    Bürger, Raimund; Diehl, Stefan; Nopens, Ingmar

    2011-03-01

    The aim of this contribution is partly to build consensus on a consistent modelling methodology (CMM) of complex real processes in wastewater treatment by combining classical concepts with results from applied mathematics, and partly to apply it to the clarification-thickening process in the secondary settling tank. In the CMM, the real process should be approximated by a mathematical model (process model; ordinary or partial differential equation (ODE or PDE)), which in turn is approximated by a simulation model (numerical method) implemented on a computer. These steps have often not been carried out in a correct way. The secondary settling tank was chosen as a case since this is one of the most complex processes in a wastewater treatment plant and simulation models developed decades ago have no guarantee of satisfying fundamental mathematical and physical properties. Nevertheless, such methods are still used in commercial tools to date. This particularly becomes of interest as the state-of-the-art practice is moving towards plant-wide modelling. Then all submodels interact and errors propagate through the model and severely hamper any calibration effort and, hence, the predictive purpose of the model. The CMM is described by applying it first to a simple conversion process in the biological reactor yielding an ODE solver, and then to the solid-liquid separation in the secondary settling tank, yielding a PDE solver. Time has come to incorporate established mathematical techniques into environmental engineering, and wastewater treatment modelling in particular, and to use proven reliable and consistent simulation models. Copyright © 2011 Elsevier Ltd. All rights reserved.

  8. Genetic Algorithm-Based Model Order Reduction of Aeroservoelastic Systems with Consistant States

    Science.gov (United States)

    Zhu, Jin; Wang, Yi; Pant, Kapil; Suh, Peter M.; Brenner, Martin J.

    2017-01-01

    This paper presents a model order reduction framework to construct linear parameter-varying reduced-order models of flexible aircraft for aeroservoelasticity analysis and control synthesis in broad two-dimensional flight parameter space. Genetic algorithms are used to automatically determine physical states for reduction and to generate reduced-order models at grid points within parameter space while minimizing the trial-and-error process. In addition, balanced truncation for unstable systems is used in conjunction with the congruence transformation technique to achieve locally optimal realization and weak fulfillment of state consistency across the entire parameter space. Therefore, aeroservoelasticity reduced-order models at any flight condition can be obtained simply through model interpolation. The methodology is applied to the pitch-plant model of the X-56A Multi-Use Technology Testbed currently being tested at NASA Armstrong Flight Research Center for flutter suppression and gust load alleviation. The present studies indicate that the reduced-order model with more than 12× reduction in the number of states relative to the original model is able to accurately predict system response among all input-output channels. The genetic-algorithm-guided approach exceeds manual and empirical state selection in terms of efficiency and accuracy. The interpolated aeroservoelasticity reduced order models exhibit smooth pole transition and continuously varying gains along a set of prescribed flight conditions, which verifies consistent state representation obtained by congruence transformation. The present model order reduction framework can be used by control engineers for robust aeroservoelasticity controller synthesis and novel vehicle design.

  9. Detecting consistent patterns of directional adaptation using differential selection codon models.

    Science.gov (United States)

    Parto, Sahar; Lartillot, Nicolas

    2017-06-23

    Phylogenetic codon models are often used to characterize the selective regimes acting on protein-coding sequences. Recent methodological developments have led to models explicitly accounting for the interplay between mutation and selection, by modeling the amino acid fitness landscape along the sequence. However, thus far, most of these models have assumed that the fitness landscape is constant over time. Fluctuations of the fitness landscape may often be random or depend on complex and unknown factors. However, some organisms may be subject to systematic changes in selective pressure, resulting in reproducible molecular adaptations across independent lineages subject to similar conditions. Here, we introduce a codon-based differential selection model, which aims to detect and quantify the fine-grained consistent patterns of adaptation at the protein-coding level, as a function of external conditions experienced by the organism under investigation. The model parameterizes the global mutational pressure, as well as the site- and condition-specific amino acid selective preferences. This phylogenetic model is implemented in a Bayesian MCMC framework. After validation with simulations, we applied our method to a dataset of HIV sequences from patients with known HLA genetic background. Our differential selection model detects and characterizes differentially selected coding positions specifically associated with two different HLA alleles. Our differential selection model is able to identify consistent molecular adaptations as a function of repeated changes in the environment of the organism. These models can be applied to many other problems, ranging from viral adaptation to evolution of life-history strategies in plants or animals.

  10. A thermodynamically consistent model for granular-fluid mixtures considering pore pressure evolution and hypoplastic behavior

    Science.gov (United States)

    Hess, Julian; Wang, Yongqi

    2016-11-01

    A new mixture model for granular-fluid flows, which is thermodynamically consistent with the entropy principle, is presented. The extra pore pressure described by a pressure diffusion equation and the hypoplastic material behavior obeying a transport equation are taken into account. The model is applied to granular-fluid flows, using a closing assumption in conjunction with the dynamic fluid pressure to describe the pressure-like residual unknowns, hereby overcoming previous uncertainties in the modeling process. Besides the thermodynamically consistent modeling, numerical simulations are carried out and demonstrate physically reasonable results, including simple shear flow in order to investigate the vertical distribution of the physical quantities, and a mixture flow down an inclined plane by means of the depth-integrated model. Results presented give insight in the ability of the deduced model to capture the key characteristics of granular-fluid flows. We acknowledge the support of the Deutsche Forschungsgemeinschaft (DFG) for this work within the Project Number WA 2610/3-1.

  11. Toward a consistent modeling framework to assess multi-sectoral climate impacts.

    Science.gov (United States)

    Monier, Erwan; Paltsev, Sergey; Sokolov, Andrei; Chen, Y-H Henry; Gao, Xiang; Ejaz, Qudsia; Couzo, Evan; Schlosser, C Adam; Dutkiewicz, Stephanie; Fant, Charles; Scott, Jeffery; Kicklighter, David; Morris, Jennifer; Jacoby, Henry; Prinn, Ronald; Haigh, Martin

    2018-02-13

    Efforts to estimate the physical and economic impacts of future climate change face substantial challenges. To enrich the currently popular approaches to impact analysis-which involve evaluation of a damage function or multi-model comparisons based on a limited number of standardized scenarios-we propose integrating a geospatially resolved physical representation of impacts into a coupled human-Earth system modeling framework. Large internationally coordinated exercises cannot easily respond to new policy targets and the implementation of standard scenarios across models, institutions and research communities can yield inconsistent estimates. Here, we argue for a shift toward the use of a self-consistent integrated modeling framework to assess climate impacts, and discuss ways the integrated assessment modeling community can move in this direction. We then demonstrate the capabilities of such a modeling framework by conducting a multi-sectoral assessment of climate impacts under a range of consistent and integrated economic and climate scenarios that are responsive to new policies and business expectations.

  12. Modelling uranium solubilities in aqueous solutions: Validation of a thermodynamic data base for the EQ3/6 geochemical codes

    International Nuclear Information System (INIS)

    Puigdomenech, I.; Bruno, J.

    1988-01-01

    Experimental solubilities of U 4+ and UO 2 2+ that are reported in the literature have been collected. Data on oxides, hydroxides and carbonates have been selected for this work. They include results both at 25 degrees C and at higher temperatures. The literature data have been compared with calculated uranium solubilities obtained with the EQ3/6 geochemical modelling programs and an uranium thermodynamic data base selected for the Swedish nuclear waste management program. This verification/validiation exercise has shown that more experimental data is needed to determine the chemical composition of anionic uranyl hydroxo complexes as well as their equilibrium constants of formation. There is also a need for more solubility data on well characterised alkaline or alkaline-earth uranates. For the uranyl carbonate system, the calculated results agree reasonably well with the experimental literature values, which span over a wide range of pH, (CO 3 2- ) T , CO 2 (g)-pressure, and T. The experimental solubility of UO 2 (s) agrees also well with the EQ3/6 calculations for pH greater than 6. However, in more acidic solutions the experimental solubilities are higher than the calculated values. This is due to the formation of polynuclear hydroxo complexes of uranium, which are not well characterised, and are not included in the thermodynamic data base used in this study. (authors)

  13. Consistent constitutive modeling of metallic target penetration using empirical, analytical, and numerical penetration models

    Directory of Open Access Journals (Sweden)

    John (Jack P. Riegel III

    2016-04-01

    Full Text Available Historically, there has been little correlation between the material properties used in (1 empirical formulae, (2 analytical formulations, and (3 numerical models. The various regressions and models may each provide excellent agreement for the depth of penetration into semi-infinite targets. But the input parameters for the empirically based procedures may have little in common with either the analytical model or the numerical model. This paper builds on previous work by Riegel and Anderson (2014 to show how the Effective Flow Stress (EFS strength model, based on empirical data, can be used as the average flow stress in the analytical Walker–Anderson Penetration model (WAPEN (Anderson and Walker, 1991 and how the same value may be utilized as an effective von Mises yield strength in numerical hydrocode simulations to predict the depth of penetration for eroding projectiles at impact velocities in the mechanical response regime of the materials. The method has the benefit of allowing the three techniques (empirical, analytical, and numerical to work in tandem. The empirical method can be used for many shot line calculations, but more advanced analytical or numerical models can be employed when necessary to address specific geometries such as edge effects or layering that are not treated by the simpler methods. Developing complete constitutive relationships for a material can be costly. If the only concern is depth of penetration, such a level of detail may not be required. The effective flow stress can be determined from a small set of depth of penetration experiments in many cases, especially for long penetrators such as the L/D = 10 ones considered here, making it a very practical approach. In the process of performing this effort, the authors considered numerical simulations by other researchers based on the same set of experimental data that the authors used for their empirical and analytical assessment. The goals were to establish a

  14. A semi-nonparametric mixture model for selecting functionally consistent proteins.

    Science.gov (United States)

    Yu, Lianbo; Doerge, Rw

    2010-09-28

    High-throughput technologies have led to a new era of proteomics. Although protein microarray experiments are becoming more common place there are a variety of experimental and statistical issues that have yet to be addressed, and that will carry over to new high-throughput technologies unless they are investigated. One of the largest of these challenges is the selection of functionally consistent proteins. We present a novel semi-nonparametric mixture model for classifying proteins as consistent or inconsistent while controlling the false discovery rate and the false non-discovery rate. The performance of the proposed approach is compared to current methods via simulation under a variety of experimental conditions. We provide a statistical method for selecting functionally consistent proteins in the context of protein microarray experiments, but the proposed semi-nonparametric mixture model method can certainly be generalized to solve other mixture data problems. The main advantage of this approach is that it provides the posterior probability of consistency for each protein.

  15. Model Consistent Pseudo-Observations of Precipitation and Their Use for Bias Correcting Regional Climate Models

    Directory of Open Access Journals (Sweden)

    Peter Berg

    2015-01-01

    Full Text Available Lack of suitable observational data makes bias correction of high space and time resolution regional climate models (RCM problematic. We present a method to construct pseudo-observational precipitation data bymerging a large scale constrained RCMreanalysis downscaling simulation with coarse time and space resolution observations. The large scale constraint synchronizes the inner domain solution to the driving reanalysis model, such that the simulated weather is similar to observations on a monthly time scale. Monthly biases for each single month are corrected to the corresponding month of the observational data, and applied to the finer temporal resolution of the RCM. A low-pass filter is applied to the correction factors to retain the small spatial scale information of the RCM. The method is applied to a 12.5 km RCM simulation and proven successful in producing a reliable pseudo-observational data set. Furthermore, the constructed data set is applied as reference in a quantile mapping bias correction, and is proven skillful in retaining small scale information of the RCM, while still correcting the large scale spatial bias. The proposed method allows bias correction of high resolution model simulations without changing the fine scale spatial features, i.e., retaining the very information required by many impact models.

  16. Structural and geochemical techniques for the hydrogeological characterisation and stochastic modelling of fractured media

    International Nuclear Information System (INIS)

    Vela, A.; Elorza, F.J.; Florez, F.; Paredes, C.; Mazadiego, L.; Llamas, J.F.; Perez, E.; Vives, L.; Carrera, J.; Munoz, A.; De Vicente, G.; Casquet, C.

    1999-01-01

    Safety analysis of radioactive waste storage systems require fractured rock studies. The performance assessment studies of this type of problems include the development of radionuclide flow and transport models to predict the evolution of possible contaminants released from the repository to the biosphere. The methodology developed in the HIDROBAP project and some results obtained with its application in El Berrocal granite batholith are presented. It integrates modern tools belonging to different disciplines. A Discrete Fracture Network model (DFT) was selected to simulate the fractured medium and a 3D finite element flow and transport model that includes the inverse problem techniques has been coupled to the DFT model to simulate the water movement trough the fracture network system. Preliminary results show that this integrated methodology can be very useful for the hydrogeological characterisation of rock fractured media. (author)

  17. Self-consistent electronic structure of a model stage-1 graphite acceptor intercalate

    International Nuclear Information System (INIS)

    Campagnoli, G.; Tosatti, E.

    1981-04-01

    A simple but self-consistent LCAO scheme is used to study the π-electronic structure of an idealized stage-1 ordered graphite acceptor intercalate, modeled approximately on C 8 AsF 5 . The resulting non-uniform charge population within the carbon plane, band structure, optical and energy loss properties are discussed and compared with available spectroscopic evidence. The calculated total energy is used to estimate migration energy barriers, and the intercalate vibration mode frequency. (author)

  18. Implicit implementation and consistent tangent modulus of a viscoplastic model for polymers

    OpenAIRE

    ACHOUR, Nadia; CHATZIGEORGIOU, George; MERAGHNI, Fodil; CHEMISKY, Yves; FITOUSSI, Joseph

    2015-01-01

    In this work, the phenomenological viscoplastic DSGZ model (Duan et al., 2001 [13]), developed for glassy or semi-crystalline polymers, is numerically implemented in a three-dimensional framework, following an implicit formulation. The computational methodology is based on the radial return mapping algorithm. This implicit formulation leads to the definition of the consistent tangent modulus which permits the implementation in incremental micromechanical scale transition analysis. The extende...

  19. Self-consistent Dark Matter simplified models with an s-channel scalar mediator

    Energy Technology Data Exchange (ETDEWEB)

    Bell, Nicole F.; Busoni, Giorgio; Sanderson, Isaac W., E-mail: n.bell@unimelb.edu.au, E-mail: giorgio.busoni@unimelb.edu.au, E-mail: isanderson@student.unimelb.edu.au [ARC Centre of Excellence for Particle Physics at the Terascale, School of Physics, The University of Melbourne, Victoria 3010 (Australia)

    2017-03-01

    We examine Simplified Models in which fermionic DM interacts with Standard Model (SM) fermions via the exchange of an s -channel scalar mediator. The single-mediator version of this model is not gauge invariant, and instead we must consider models with two scalar mediators which mix and interfere. The minimal gauge invariant scenario involves the mixing of a new singlet scalar with the Standard Model Higgs boson, and is tightly constrained. We construct two Higgs doublet model (2HDM) extensions of this scenario, where the singlet mixes with the 2nd Higgs doublet. Compared with the one doublet model, this provides greater freedom for the masses and mixing angle of the scalar mediators, and their coupling to SM fermions. We outline constraints on these models, and discuss Yukawa structures that allow enhanced couplings, yet keep potentially dangerous flavour violating processes under control. We examine the direct detection phenomenology of these models, accounting for interference of the scalar mediators, and interference of different quarks in the nucleus. Regions of parameter space consistent with direct detection measurements are determined.

  20. Self-consistent Dark Matter simplified models with an s-channel scalar mediator

    International Nuclear Information System (INIS)

    Bell, Nicole F.; Busoni, Giorgio; Sanderson, Isaac W.

    2017-01-01

    We examine Simplified Models in which fermionic DM interacts with Standard Model (SM) fermions via the exchange of an s -channel scalar mediator. The single-mediator version of this model is not gauge invariant, and instead we must consider models with two scalar mediators which mix and interfere. The minimal gauge invariant scenario involves the mixing of a new singlet scalar with the Standard Model Higgs boson, and is tightly constrained. We construct two Higgs doublet model (2HDM) extensions of this scenario, where the singlet mixes with the 2nd Higgs doublet. Compared with the one doublet model, this provides greater freedom for the masses and mixing angle of the scalar mediators, and their coupling to SM fermions. We outline constraints on these models, and discuss Yukawa structures that allow enhanced couplings, yet keep potentially dangerous flavour violating processes under control. We examine the direct detection phenomenology of these models, accounting for interference of the scalar mediators, and interference of different quarks in the nucleus. Regions of parameter space consistent with direct detection measurements are determined.

  1. Consistent robustness analysis (CRA) identifies biologically relevant properties of regulatory network models.

    Science.gov (United States)

    Saithong, Treenut; Painter, Kevin J; Millar, Andrew J

    2010-12-16

    A number of studies have previously demonstrated that "goodness of fit" is insufficient in reliably classifying the credibility of a biological model. Robustness and/or sensitivity analysis is commonly employed as a secondary method for evaluating the suitability of a particular model. The results of such analyses invariably depend on the particular parameter set tested, yet many parameter values for biological models are uncertain. Here, we propose a novel robustness analysis that aims to determine the "common robustness" of the model with multiple, biologically plausible parameter sets, rather than the local robustness for a particular parameter set. Our method is applied to two published models of the Arabidopsis circadian clock (the one-loop [1] and two-loop [2] models). The results reinforce current findings suggesting the greater reliability of the two-loop model and pinpoint the crucial role of TOC1 in the circadian network. Consistent Robustness Analysis can indicate both the relative plausibility of different models and also the critical components and processes controlling each model.

  2. Geochemical thermodynamic and kinetic modeling that take into account the mass transfer phenomena in saturated porous medium

    International Nuclear Information System (INIS)

    Gerard, Frederic

    1996-01-01

    The mass transport mechanisms (advection. mechanical dispersion and molecular diffusion) have been introduced into the thermodynamic and kinetic geochemical code KINDIS. This innovative approach to couple chemical and transport mass transfers has allowed us to develop a reactive transport or hydrochemical code named KIRMAT, which naturally preserve the comprehensive geochemical functions of KINDIS. Mass transport phenomena through the total connected porosity of a water-saturated porous medium are solved over one spatial dimension (ID). The finite difference method is used. An explicit or forward time scheme is computed. The advective finite difference expression may be either centered or upstream weighted. Thus, ail of the hydrodynamic conditions may be modeled (from the pure advection to pure diffusion). The mass transport and geochemical flux are solved simultaneously (one-step algorithm). Moreover. the code KIRMAT is designed to quantify reactive mass transport through a double or dual porosity medium, in which the flow porosity (filled by free water) and the diffusion porosity (containing stagnant water) are viewed as two distinct sub mediums or Systems. Under some given conditions, the need to solve one or the other mass transport equation is a function of the water-rock System size. The accuracy of the kinetic constraint has been improved in KIRMAT. Two new kinetic rate laws have been introduced for the dissolution of the most abundant silicates (alkali feldspars, silica. etc.). These rate laws integrate the quantitatively important inhibitor and catalytic effects involved with some dissolved chemical elements that are ubiquitous in natural aqueous solutions. The basic step. the numerical verification of the code, has been tackled with two complementary approaches. The numerical results from KIRMAT have been compared to those calculated from an exact solution and a new method has been developed and used. We have compared the numerical results of KIRMAT in

  3. A Theoretically Consistent Framework for Modelling Lagrangian Particle Deposition in Plant Canopies

    Science.gov (United States)

    Bailey, Brian N.; Stoll, Rob; Pardyjak, Eric R.

    2018-06-01

    We present a theoretically consistent framework for modelling Lagrangian particle deposition in plant canopies. The primary focus is on describing the probability of particles encountering canopy elements (i.e., potential deposition), and provides a consistent means for including the effects of imperfect deposition through any appropriate sub-model for deposition efficiency. Some aspects of the framework draw upon an analogy to radiation propagation through a turbid medium with which to develop model theory. The present method is compared against one of the most commonly used heuristic Lagrangian frameworks, namely that originally developed by Legg and Powell (Agricultural Meteorology, 1979, Vol. 20, 47-67), which is shown to be theoretically inconsistent. A recommendation is made to discontinue the use of this heuristic approach in favour of the theoretically consistent framework developed herein, which is no more difficult to apply under equivalent assumptions. The proposed framework has the additional advantage that it can be applied to arbitrary canopy geometries given readily measurable parameters describing vegetation structure.

  4. Alfven-wave particle interaction in finite-dimensional self-consistent field model

    International Nuclear Information System (INIS)

    Padhye, N.; Horton, W.

    1998-01-01

    A low-dimensional Hamiltonian model is derived for the acceleration of ions in finite amplitude Alfven waves in a finite pressure plasma sheet. The reduced low-dimensional wave-particle Hamiltonian is useful for describing the reaction of the accelerated ions on the wave amplitudes and phases through the self-consistent fields within the envelope approximation. As an example, the authors show for a single Alfven wave in the central plasma sheet of the Earth's geotail, modeled by the linear pinch geometry called the Harris sheet, the time variation of the wave amplitude during the acceleration of fast protons

  5. Interstellar turbulence model : A self-consistent coupling of plasma and neutral fluids

    International Nuclear Information System (INIS)

    Shaikh, Dastgeer; Zank, Gary P.; Pogorelov, Nikolai

    2006-01-01

    We present results of a preliminary investigation of interstellar turbulence based on a self-consistent two-dimensional fluid simulation model. Our model describes a partially ionized magnetofluid interstellar medium (ISM) that couples a neutral hydrogen fluid to a plasma through charge exchange interactions and assumes that the ISM turbulent correlation scales are much bigger than the shock characteristic length-scales, but smaller than the charge exchange mean free path length-scales. The shocks have no influence on the ISM turbulent fluctuations. We find that nonlinear interactions in coupled plasma-neutral ISM turbulence are influenced substantially by charge exchange processes

  6. Self-consistent nonlinearly polarizable shell-model dynamics for ferroelectric materials

    International Nuclear Information System (INIS)

    Mkam Tchouobiap, S.E.; Kofane, T.C.; Ngabireng, C.M.

    2002-11-01

    We investigate the dynamical properties of the polarizable shellmodel with a symmetric double Morse-type electron-ion interaction in one ionic species. A variational calculation based on the Self-Consistent Einstein Model (SCEM) shows that a theoretical ferroelectric (FE) transition temperature can be derive which demonstrates the presence of a first-order phase transition for the potassium selenate (K 2 SeO 4 ) crystal around Tc 91.5 K. Comparison of the model calculation with the experimental critical temperature yields satisfactory agreement. (author)

  7. Development of a self-consistent lightning NOx simulation in large-scale 3-D models

    Science.gov (United States)

    Luo, Chao; Wang, Yuhang; Koshak, William J.

    2017-03-01

    We seek to develop a self-consistent representation of lightning NOx (LNOx) simulation in a large-scale 3-D model. Lightning flash rates are parameterized functions of meteorological variables related to convection. We examine a suite of such variables and find that convective available potential energy and cloud top height give the best estimates compared to July 2010 observations from ground-based lightning observation networks. Previous models often use lightning NOx vertical profiles derived from cloud-resolving model simulations. An implicit assumption of such an approach is that the postconvection lightning NOx vertical distribution is the same for all deep convection, regardless of geographic location, time of year, or meteorological environment. Detailed observations of the lightning channel segment altitude distribution derived from the NASA Lightning Nitrogen Oxides Model can be used to obtain the LNOx emission profile. Coupling such a profile with model convective transport leads to a more self-consistent lightning distribution compared to using prescribed postconvection profiles. We find that convective redistribution appears to be a more important factor than preconvection LNOx profile selection, providing another reason for linking the strength of convective transport to LNOx distribution.

  8. A consistent modelling methodology for secondary settling tanks: a reliable numerical method.

    Science.gov (United States)

    Bürger, Raimund; Diehl, Stefan; Farås, Sebastian; Nopens, Ingmar; Torfs, Elena

    2013-01-01

    The consistent modelling methodology for secondary settling tanks (SSTs) leads to a partial differential equation (PDE) of nonlinear convection-diffusion type as a one-dimensional model for the solids concentration as a function of depth and time. This PDE includes a flux that depends discontinuously on spatial position modelling hindered settling and bulk flows, a singular source term describing the feed mechanism, a degenerating term accounting for sediment compressibility, and a dispersion term for turbulence. In addition, the solution itself is discontinuous. A consistent, reliable and robust numerical method that properly handles these difficulties is presented. Many constitutive relations for hindered settling, compression and dispersion can be used within the model, allowing the user to switch on and off effects of interest depending on the modelling goal as well as investigate the suitability of certain constitutive expressions. Simulations show the effect of the dispersion term on effluent suspended solids and total sludge mass in the SST. The focus is on correct implementation whereas calibration and validation are not pursued.

  9. Overlap function and Regge cut in a self-consistent multi-Regge model

    International Nuclear Information System (INIS)

    Banerjee, H.; Mallik, S.

    1977-01-01

    A self-consistent multi-Regge model with unit intercept for the input trajectory is presented. Violation of unitarity is avoided in the model by assuming the vanishing of the pomeron-pomeron-hadron vertex, as the mass of either pomeron tends to zero. The model yields an output Regge pole in the inelastic overlap function which for t>0 lies on the r.h.s. of the moving branch point in the complex J-plane, but for t<0 moves to unphysical sheets. The leading Regge-cut contribution to the forward diffraction amplitude can be negative, so that the total cross section predicted by the model attains a limiting value from below

  10. Overlap function and Regge cut in a self-consistent multi-Regge model

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, H [Saha Inst. of Nuclear Physics, Calcutta (India); Mallik, S [Bern Univ. (Switzerland). Inst. fuer Theoretische Physik

    1977-04-21

    A self-consistent multi-Regge model with unit intercept for the input trajectory is presented. Violation of unitarity is avoided in the model by assuming the vanishing of the pomeron-pomeron-hadron vertex, as the mass of either pomeron tends to zero. The model yields an output Regge pole in the inelastic overlap function which for t>0 lies on the r.h.s. of the moving branch point in the complex J-plane, but for t<0 moves to unphysical sheets. The leading Regge-cut contribution to the forward diffraction amplitude can be negative, so that the total cross section predicted by the model attains a limiting value from below.

  11. Geochemical models of the precipitation of halite (NaCl) in gas fields

    International Nuclear Information System (INIS)

    Lombana O, Jose L; Jaramillo, Elizabeth A; Alzate E, Guillermo A

    2005-01-01

    The reservoir modeling is a tool that every day takes more importance in the petroleum industry due to multiple problems presented an also that can be afforded by it during the production of reservoir fluids from the porous media in petroleum reservoir. One of these is the formation damage which is reflected as a petrophysic properties change, caused among other factors by the scale precipitation of halite (NaCl) as a consequence of the original state alteration and thermodynamic balance disruption between the porous media and the fluids inside by the gas flow. By the gas flow over the connate water, the porous media reduce its water saturation due to water transferring from liquid to gas state. In this study, a numeric model is developed to model the formation damage for halite precipitation. The model covers one-dimensional monophasic and iso thermic gas flow and evaluates the porosity and permeability changes of porous media due to halite precipitation. The model application for different conditions of temperature, connate water salinity, water saturation,and porosity indicates the following: the biggest damage is caused to the beginning of the porous media,temperature influences considerably the water vaporization rate and therefore the amount of halite precipitation, the lower the porosity of the porous media the bigger the formation damage degree, and finally, higher salinity and water saturation for the connate water in the porous media higher the formation damage degree is reached by the gas flow.

  12. An Ice Model That is Consistent with Composite Rheology in GIA Modelling

    Science.gov (United States)

    Huang, P.; Patrick, W.

    2017-12-01

    There are several popular approaches in constructing ice history models. One of them is mainly based on thermo-mechanical ice models with forcing or boundary conditions inferred from paleoclimate data. The second one is mainly based on the observed response of the Earth to glacial loading and unloading, a process called Glacial Isostatic Adjustment or GIA. The third approach is a hybrid version of the first and second approaches. In this presentation, we will follow the second approach which also uses geological data such as ice flow, terminal moraine data and simple ice dynamic for the ice sheet re-construction (Peltier & Andrew 1976). The global ice model ICE-6G (Peltier et al. 2015) and all its predecessors (Tushingham & Peltier 1991, Peltier 1994, 1996, 2004, Lambeck et al. 2014) are constructed this way with the assumption that mantle rheology is linear. However, high temperature creep experiments on mantle rocks show that non-linear creep laws can also operate in the mantle. Since both linear (e.g. diffusion creep) and non-linear (e.g. dislocation) creep laws can operate simultaneously in the mantle, mantle rheology is likely composite, where the total creep is the sum of both linear and onlinear creep. Preliminary GIA studies found that composite rheology can fit regional RSL observations better than that from linear rheology(e.g. van der Wal et al. 2010). The aim of this paper is to construct ice models in Laurentia and Fennoscandia using this second approach, but with composite rheology, so that its predictions can fit GIA observations such as global RSL data, land uplift rate and g-dot simultaneously in addition to geological data and simple ice dynamics. The g-dot or gravity-rate-of-change data is from the GRACE gravity mission but with the effects of hydrology removed. Our GIA model is based on the Coupled Laplace-Finite Element method as described in Wu(2004) and van der Wal et al.(2010). It is found that composite rheology generally supports a thicker

  13. MININR: a geochemical computer program for inclusion in water flow models - an application study

    Energy Technology Data Exchange (ETDEWEB)

    Felmy, A.R.; Reisenauer, A.E.; Zachara, J.M.; Gee, G.W.

    1984-02-01

    MININR is a reduced form of the computer program MINTEQ which calculates equilibrium precipitation/dissolution of solid phases, aqueous speciation, adsorption, and gas phase equilibrium. The user-oriented features in MINTEQ were removed to reduce the size and increase the computational speed. MININR closely resembles the MINEQL computer program developed by Westall (1976). The main differences between MININR and MINEQL involve modifications to accept an initial starting mass of solid and necessary changes for linking with a water flow model. MININR in combination with a simple water flow model which considers only dilution was applied to a laboratory column packed with retorted oil shale and percolated with distilled water. Experimental and preliminary model simulation results are presented for the constituents K/sup +/, Na/sup +/, SO/sub 4//sup 2 -/, Mg/sup 2 +/, Ca/sup 2 +/, CO/sub 3//sup 2 -/ and pH.

  14. Status of geochemical modeling of groundwater evolution at the Tono in-situ tests site, Japan

    International Nuclear Information System (INIS)

    Sasamoto, Hiroshi; Yui, Mikazu; Arthur, R.C.

    1999-12-01

    Hydrochemical investigation of Tertiary sedimentary rocks at JNC's Tono in-situ tests site indicate the groundwaters are: meteoric in origin, chemically reducing at depths greater than a few tens of meters in the sedimentary rock, relatively old [carbon-14 ages of groundwaters collected from the lower part of the sedimentary sequence range from 13,000 to 15,000 years BP (before present)]. Ca-Na-HCO 3 type solutions near the surface, changing to Na-HCO 3 type groundwaters with increasing depth. The chemical evolution of the groundwaters is modeled assuming local equilibrium for selected mineral-fluid reactions, taking into account the rainwater origin of these solutions. Results suggest it is possible to interpret approximately the 'real' groundwater chemistry (i.e., pH, Eh, total dissolved concentrations of Si, Na, Ca, K, Al, carbonate and sulfate) if the following assumptions are adopted: CO 2 concentration in the gas phase contacting pore solutions in the overlying soil zone=10 -1 bar, minerals in the rock zone that control the solubility of respective elements in the groundwater include; chalcedony (Si), albite (Na), kaolinite (Al), calcite (Ca and carbonate), muscovite (K) and pyrite (Eh and sulfate). It is noted, however, that the available field data may not be sufficient to adequately constrain parameters in the groundwater evolution model. In particular, more detailed information characterizing certain site properties (e.g., the actual mineralogy of 'plagioclase', 'clay' and 'zeolite') are needed to improve the model. Alternative conceptual models of key reactions may also be necessary. For this reason, a model that accounts for ion-exchange reactions among clay minerals, and which is based on the results of laboratory experiments, has also been evaluated in the present study. Further improvements of model considering ion-exchange reactions are needed in future, however. (author)

  15. Comparison of U-spatial statistics and C-A fractal models for delineating anomaly patterns of porphyry-type Cu geochemical signatures in the Varzaghan district, NW Iran

    Science.gov (United States)

    Ghezelbash, Reza; Maghsoudi, Abbas

    2018-05-01

    The delineation of populations of stream sediment geochemical data is a crucial task in regional exploration surveys. In this contribution, uni-element stream sediment geochemical data of Cu, Au, Mo, and Bi have been subjected to two reliable anomaly-background separation methods, namely, the concentration-area (C-A) fractal and the U-spatial statistics methods to separate geochemical anomalies related to porphyry-type Cu mineralization in northwest Iran. The quantitative comparison of the delineated geochemical populations using the modified success-rate curves revealed the superiority of the U-spatial statistics method over the fractal model. Moreover, geochemical maps of investigated elements revealed strongly positive correlations between strong anomalies and Oligocene-Miocene intrusions in the study area. Therefore, follow-up exploration programs should focus on these areas.

  16. Possible world based consistency learning model for clustering and classifying uncertain data.

    Science.gov (United States)

    Liu, Han; Zhang, Xianchao; Zhang, Xiaotong

    2018-06-01

    Possible world has shown to be effective for handling various types of data uncertainty in uncertain data management. However, few uncertain data clustering and classification algorithms are proposed based on possible world. Moreover, existing possible world based algorithms suffer from the following issues: (1) they deal with each possible world independently and ignore the consistency principle across different possible worlds; (2) they require the extra post-processing procedure to obtain the final result, which causes that the effectiveness highly relies on the post-processing method and the efficiency is also not very good. In this paper, we propose a novel possible world based consistency learning model for uncertain data, which can be extended both for clustering and classifying uncertain data. This model utilizes the consistency principle to learn a consensus affinity matrix for uncertain data, which can make full use of the information across different possible worlds and then improve the clustering and classification performance. Meanwhile, this model imposes a new rank constraint on the Laplacian matrix of the consensus affinity matrix, thereby ensuring that the number of connected components in the consensus affinity matrix is exactly equal to the number of classes. This also means that the clustering and classification results can be directly obtained without any post-processing procedure. Furthermore, for the clustering and classification tasks, we respectively derive the efficient optimization methods to solve the proposed model. Experimental results on real benchmark datasets and real world uncertain datasets show that the proposed model outperforms the state-of-the-art uncertain data clustering and classification algorithms in effectiveness and performs competitively in efficiency. Copyright © 2018 Elsevier Ltd. All rights reserved.

  17. Modeling geochemical datasets for source apportionment: Comparison of least square regression and inversion approaches.

    Digital Repository Service at National Institute of Oceanography (India)

    Tripathy, G.R.; Das, Anirban.

    used methods, the Least Square Regression (LSR) and Inverse Modeling (IM), to determine the contributions of (i) solutes from different sources to global river water, and (ii) various rocks to a glacial till. The purpose of this exercise is to compare...

  18. Incorporating Geochemical And Microbial Kinetics In Reactive Transport Models For Generation Of Acid Rock Drainage

    Science.gov (United States)

    Andre, B. J.; Rajaram, H.; Silverstein, J.

    2010-12-01

    Acid mine drainage, AMD, results from the oxidation of metal sulfide minerals (e.g. pyrite), producing ferrous iron and sulfuric acid. Acidophilic autotrophic bacteria such as Acidithiobacillus ferrooxidans and Leptospirillum ferrooxidans obtain energy by oxidizing ferrous iron back to ferric iron, using oxygen as the electron acceptor. Most existing models of AMD do not account for microbial kinetics or iron geochemistry rigorously. Instead they assume that oxygen limitation controls pyrite oxidation and thus focus on oxygen transport. These models have been successfully used for simulating conditions where oxygen availability is a limiting factor (e.g. source prevention by capping), but have not been shown to effectively model acid generation and effluent chemistry under a wider range of conditions. The key reactions, oxidation of pyrite and oxidation of ferrous iron, are both slow kinetic processes. Despite being extensively studied for the last thirty years, there is still not a consensus in the literature about the basic mechanisms, limiting factors or rate expressions for microbially enhanced oxidation of metal sulfides. An indirect leaching mechanism (chemical oxidation of pyrite by ferric iron to produce ferrous iron, with regeneration of ferric iron by microbial oxidation of ferrous iron) is used as the foundation of a conceptual model for microbially enhanced oxidation of pyrite. Using literature data, a rate expression for microbial consumption of ferrous iron is developed that accounts for oxygen, ferrous iron and pH limitation. Reaction rate expressions for oxidation of pyrite and chemical oxidation of ferrous iron are selected from the literature. A completely mixed stirred tank reactor (CSTR) model is implemented coupling the kinetic rate expressions, speciation calculations and flow. The model simulates generation of AMD and effluent chemistry that qualitatively agrees with column reactor and single rock experiments. A one dimensional reaction

  19. Modeling reactive geochemical transport of concentrated aqueous solutions in variably saturated media

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Guoxiang; Zheng, Zuoping; Wan, Jiamin

    2004-01-28

    Concentrated aqueous solutions (CAS) have unique thermodynamic and physical properties. Chemical components in CAS are incompletely dissociated, especially those containing divalent or polyvalent ions. The problem is further complicated by the interaction between CAS flow processes and the naturally heterogeneous sediments. As the CAS migrates through the porous media, the composition may be altered subject to fluid-rock interactions. To effectively model reactive transport of CAS, we must take into account ion-interaction. A combination of the Pitzer ion-interaction and the ion-association model would be an appropriate way to deal with multiple-component systems if the Pitzer' parameters and thermodynamic data of dissolved components and the related minerals are available. To quantify the complicated coupling of CAS flow and transport, as well as the involved chemical reactions in natural and engineered systems, we have substantially extended an existing reactive biogeochemical transport code, BIO-CORE{sup 2D}{copyright}, by incorporating a comprehensive Pitzer ion-interaction model. In the present paper, the model, and two test cases against measured data were briefly introduced. Finally we present an application to simulate a laboratory column experiment studying the leakage of the high alkaline waste fluid stored in Hanford (a site of the U.S. Department of Energy, located in Washington State, USA). With the Pitzer ion-interaction ionic activity model, our simulation captures measured pH evolution. The simulation indicates that all the reactions controlling the pH evolution, including cation exchanges, mineral precipitation and dissolution, are coupled.

  20. EARLY GUIDANCE FOR ASSIGNING DISTRIBUTION PARAMETERS TO GEOCHEMICAL INPUT TERMS TO STOCHASTIC TRANSPORT MODELS

    International Nuclear Information System (INIS)

    Kaplan, D; Margaret Millings, M

    2006-01-01

    Stochastic modeling is being used in the Performance Assessment program to provide a probabilistic estimate of the range of risk that buried waste may pose. The objective of this task was to provide early guidance for stochastic modelers for the selection of the range and distribution (e.g., normal, log-normal) of distribution coefficients (K d ) and solubility values (K sp ) to be used in modeling subsurface radionuclide transport in E- and Z-Area on the Savannah River Site (SRS). Due to the project's schedule, some modeling had to be started prior to collecting the necessary field and laboratory data needed to fully populate these models. For the interim, the project will rely on literature values and some statistical analyses of literature data as inputs. Based on statistical analyses of some literature sorption tests, the following early guidance was provided: (1) Set the range to an order of magnitude for radionuclides with K d values >1000 mL/g and to a factor of two for K d values of sp values -6 M and to a factor of two for K d values of >10 -6 M. This decision is based on the literature. (3) The distribution of K d values with a mean >1000 mL/g will be log-normally distributed. Those with a K d value <1000 mL/g will be assigned a normal distribution. This is based on statistical analysis of non-site-specific data. Results from on-going site-specific field/laboratory research involving E-Area sediments will supersede this guidance; these results are expected in 2007

  1. Discussion on geochemical characteristics, mechanism and prospecting model of gluey type sandstone uranium mineralization--taking Redwell uranium deposit as an example

    International Nuclear Information System (INIS)

    Wang Jinping

    1998-01-01

    Redwell uranium deposit hosted in the red clastic rock formation, is a typical example of gluey type uranium mineralization, which has not been reported so far in China. Based on the study of geochemical characteristics of Redwell deposit, the author discusses the genetic mechanism of this type deposits, and proposes the prospecting model of 4 in 1 of red bed-fault-oil gas-uranium source

  2. Self-consistent field model for strong electrostatic correlations and inhomogeneous dielectric media.

    Science.gov (United States)

    Ma, Manman; Xu, Zhenli

    2014-12-28

    Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these effects in the framework of the self-consistent field theory. The model incorporates a space- or field-dependent dielectric permittivity and an excluded ion-size effect for the correlation energy. This results in a self-energy modified Poisson-Nernst-Planck or Poisson-Boltzmann equation together with state equations for the self energy and the dielectric function. We show that the ionic size is of significant importance in predicting a finite self energy for an ion in an inhomogeneous medium. Asymptotic approximation is proposed for the solution of a generalized Debye-Hückel equation, which has been shown to capture the ionic correlation and dielectric self energy. Through simulating ionic distribution surrounding a macroion, the modified self-consistent field model is shown to agree with particle-based Monte Carlo simulations. Numerical results for symmetric and asymmetric electrolytes demonstrate that the model is able to predict the charge inversion at high correlation regime in the presence of multivalent interfacial ions which is beyond the mean-field theory and also show strong effect to double layer structure due to the space- or field-dependent dielectric permittivity.

  3. Self-consistent field model for strong electrostatic correlations and inhomogeneous dielectric media

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Manman, E-mail: mmm@sjtu.edu.cn; Xu, Zhenli, E-mail: xuzl@sjtu.edu.cn [Department of Mathematics, Institute of Natural Sciences, and MoE Key Laboratory of Scientific and Engineering Computing, Shanghai Jiao Tong University, Shanghai 200240 (China)

    2014-12-28

    Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these effects in the framework of the self-consistent field theory. The model incorporates a space- or field-dependent dielectric permittivity and an excluded ion-size effect for the correlation energy. This results in a self-energy modified Poisson-Nernst-Planck or Poisson-Boltzmann equation together with state equations for the self energy and the dielectric function. We show that the ionic size is of significant importance in predicting a finite self energy for an ion in an inhomogeneous medium. Asymptotic approximation is proposed for the solution of a generalized Debye-Hückel equation, which has been shown to capture the ionic correlation and dielectric self energy. Through simulating ionic distribution surrounding a macroion, the modified self-consistent field model is shown to agree with particle-based Monte Carlo simulations. Numerical results for symmetric and asymmetric electrolytes demonstrate that the model is able to predict the charge inversion at high correlation regime in the presence of multivalent interfacial ions which is beyond the mean-field theory and also show strong effect to double layer structure due to the space- or field-dependent dielectric permittivity.

  4. Inverse Geochemical Reaction Path Modelling and the Impact of Climate Change on Hydrologic Structure in Snowmelt-Dominated Catchments in the Southwestern USA

    Science.gov (United States)

    Driscoll, J. M.; Meixner, T.; Molotch, N. P.; Sickman, J. O.; Williams, M. W.; McIntosh, J. C.; Brooks, P. D.

    2011-12-01

    Snowmelt from alpine catchments provides 70-80% of the American Southwest's water resources. Climate change threatens to alter the timing and duration of snowmelt in high elevation catchments, which may also impact the quantity and the quality of these water resources. Modelling of these systems provides a robust theoretical framework to process the information extracted from the sparse physical measurement available in these sites due to their remote locations. Mass-balance inverse geochemical models (via PHREEQC, developed by the USGS) were applied to two snowmelt-dominated catchments; Green Lake 4 (GL4) in the Rockies and Emerald Lake (EMD) in the Sierra Nevada. Both catchments primarily consist of granite and granodiorite with a similar bulk geochemistry. The inputs for the models were the initial (snowpack) and final (catchment output) hydrochemistry and a catchment-specific suite of mineral weathering reactions. Models were run for wet and dry snow years, for early and late time periods (defined hydrologically as 1/2 of the total volume for the year). Multiple model solutions were reduced to a representative suite of reactions by choosing the model solution with the fewest phases and least overall phase change. The dominant weathering reactions (those which contributed the most solutes) were plagioclase for GL4 and albite for EMD. Results for GL4 show overall more plagioclase weathering during the dry year (214.2g) than wet year (89.9g). Both wet and dry years show more weathering in the early time periods (63% and 56%, respectively). These results show that the snowpack and outlet are chemically more similar during wet years than dry years. A possible hypothesis to explain this difference is a change in contribution from subsurface storage; during the wet year the saturated catchment reduces contact with surface materials that would result in mineral weathering reactions by some combination of reduced infiltration and decreased subsurface transit time. By

  5. Adding geochemical and isotope tracers to models of hillslope evolution: valuable constraints or monumental headache?

    Science.gov (United States)

    Mudd, S. M.; Yoo, K.; Hurst, M. D.; Weinman, B. A.; Maher, K.

    2011-12-01

    Landscapes evolve through time, both in terms of their geomorphology and their geochemistry. Past studies have highlighted that topography suffers from the problem of equifinality: the topographic configuration of landscapes can be the result of many different, yet equally plausible, erosion histories. In hillslope soils the properties and chemistry of the soils themselves could provide additional constraints on landscape evolution. Here we present results from a combination of modelling and field studies that seek to quantify the co-evolution of hillslope morphology and the solid state chemistry of hillslope soils. The models follow large numbers of individual particles as they are entrained into a physically mobile soil layer, weathered, and accumulate isotopes such as 10Be and 21Ne. We demonstrate that multiple hillslope properties mitigate (but do not eliminate) the problem of equifinality and demonstrate the importance of accounting for individual particle residence times and ages in interpretation of both isotope and weathering data.

  6. Predictive modeling of CO2 sequestration in deep saline sandstone reservoirs: Impacts of geochemical kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Balashov, Victor N.; Guthrie, George D.; Hakala, J. Alexandra; Lopano, Christina L.; Rimstidt, J. Donald; Brantley, Susan L.

    2013-03-01

    One idea for mitigating the increase in fossil-fuel generated CO{sub 2} in the atmosphere is to inject CO{sub 2} into subsurface saline sandstone reservoirs. To decide whether to try such sequestration at a globally significant scale will require the ability to predict the fate of injected CO{sub 2}. Thus, models are needed to predict the rates and extents of subsurface rock-water-gas interactions. Several reactive transport models for CO{sub 2} sequestration created in the last decade predicted sequestration in sandstone reservoirs of ~17 to ~90 kg CO{sub 2} m{sup -3|. To build confidence in such models, a baseline problem including rock + water chemistry is proposed as the basis for future modeling so that both the models and the parameterizations can be compared systematically. In addition, a reactive diffusion model is used to investigate the fate of injected supercritical CO{sub 2} fluid in the proposed baseline reservoir + brine system. In the baseline problem, injected CO{sub 2} is redistributed from the supercritical (SC) free phase by dissolution into pore brine and by formation of carbonates in the sandstone. The numerical transport model incorporates a full kinetic description of mineral-water reactions under the assumption that transport is by diffusion only. Sensitivity tests were also run to understand which mineral kinetics reactions are important for CO{sub 2} trapping. The diffusion transport model shows that for the first ~20 years after CO{sub 2} diffusion initiates, CO{sub 2} is mostly consumed by dissolution into the brine to form CO{sub 2,aq} (solubility trapping). From 20-200 years, both solubility and mineral trapping are important as calcite precipitation is driven by dissolution of oligoclase. From 200 to 1000 years, mineral trapping is the most important sequestration mechanism, as smectite dissolves and calcite precipitates. Beyond 2000 years, most trapping is due to formation of aqueous HCO{sub 3}{sup -}. Ninety-seven percent of the

  7. Modelling the geochemical fate and transport of wastewater-derived phosphorus in contrasting groundwater systems

    Science.gov (United States)

    Spiteri, Claudette; Slomp, Caroline P.; Regnier, Pierre; Meile, Christof; Van Cappellen, Philippe

    2007-06-01

    A 1D reactive transport model (RTM) is used to obtain a mechanistic understanding of the fate of phosphorus (P) in the saturated zone of two contrasting aquifer systems. We use the field data from two oxic, electron donor-poor, wastewater-impacted, sandy Canadian aquifers, (Cambridge and Muskoka sites) as an example of a calcareous and non-calcareous groundwater system, respectively, to validate our reaction network. After approximately 10 years of wastewater infiltration, P is effectively attenuated within the first 10 m downgradient of the source mainly through fast sorption onto calcite and Fe oxides. Slow, kinetic sorption contributes further to P removal, while precipitation of phosphate minerals (strengite, hydroxyapatite) is quantitatively unimportant in the saturated zone. Nitrogen (N) dynamics are also considered, but nitrate behaves essentially as a conservative tracer in both systems. The model-predicted advancement of the P plume upon continued wastewater discharge at the calcareous site is in line with field observations. Model results suggest that, upon removal of the wastewater source, the P plume at both sites will persist for at least 20 years, owing to desorption of P from aquifer solids and the slow rate of P mineral precipitation. Sensitivity analyses for the non-calcareous scenario (Muskoka) illustrate the importance of the sorption capacity of the aquifer solids for P in modulating groundwater N:P ratios in oxic groundwater. The model simulations predict the breakthrough of groundwater with high P concentrations and low N:P ratios after 17 years at 20 m from the source for an aquifer with low sorption capacity (< 0.02% w/w Fe(OH) 3). In this type of system, denitrification plays a minor role in lowering the N:P ratios because it is limited by the availability of labile dissolved organic matter.

  8. Traffic Multiresolution Modeling and Consistency Analysis of Urban Expressway Based on Asynchronous Integration Strategy

    Directory of Open Access Journals (Sweden)

    Liyan Zhang

    2017-01-01

    Full Text Available The paper studies multiresolution traffic flow simulation model of urban expressway. Firstly, compared with two-level hybrid model, three-level multiresolution hybrid model has been chosen. Then, multiresolution simulation framework and integration strategies are introduced. Thirdly, the paper proposes an urban expressway multiresolution traffic simulation model by asynchronous integration strategy based on Set Theory, which includes three submodels: macromodel, mesomodel, and micromodel. After that, the applicable conditions and derivation process of the three submodels are discussed in detail. In addition, in order to simulate and evaluate the multiresolution model, “simple simulation scenario” of North-South Elevated Expressway in Shanghai has been established. The simulation results showed the following. (1 Volume-density relationships of three submodels are unanimous with detector data. (2 When traffic density is high, macromodel has a high precision and smaller error and the dispersion of results is smaller. Compared with macromodel, simulation accuracies of micromodel and mesomodel are lower but errors are bigger. (3 Multiresolution model can simulate characteristics of traffic flow, capture traffic wave, and keep the consistency of traffic state transition. Finally, the results showed that the novel multiresolution model can have higher simulation accuracy and it is feasible and effective in the real traffic simulation scenario.

  9. Geochemical modelling of the long-term dissolution behaviour of the French nuclear glass R7T7

    International Nuclear Information System (INIS)

    Michaux, L.; Mouche, E.; Petit, J.-C.; Fritz, B.

    1992-01-01

    The long-term dissolution behaviour of the French nuclear reference glass R7T7 was studied by means of the geochemical code DISSOL. New experimental data which support some of the assumptions of DISSOL are presented: namely, that the dissolution is congruent and that the altered layer can be considered as an assemblage of secondary phases. At 100 o C the main results of modelling are that the altered layer is essentially formed of a pure siliceous phase (amorphous silica or chalcedony) associated with smectites and zeolites. This sequence of secondary minerals is closely linked to the chemical composition of the glass. For high degrees of reaction, corresponding to high B concentration, the ionic strength reaches 1 and the pH varies from 9 to 10 depending on the CO 2 fugacity; B,Li and Na are essentially found in solution and their concentrations depend on the amount of dissolved glass. By contrast Fe,Al and Zn have low solution concentrations which are controlled by solubility products of secondary minerals. Silicon and Ca have an intermediate behaviour which depends on the choice of selected secondary minerals. The total volume of the secondary phases is always lower than that of the corresponding dissolved glass. The results of modelling compared to static leaching experimental results show only minor differences which can be explained by kinetic control or colloid formation. It is concluded that the altered layer is not a barrier to diffusion. The consequences of this work for actinide solubility are also discussed. (author)

  10. A Consistent Methodology Based Parameter Estimation for a Lactic Acid Bacteria Fermentation Model

    DEFF Research Database (Denmark)

    Spann, Robert; Roca, Christophe; Kold, David

    2017-01-01

    Lactic acid bacteria are used in many industrial applications, e.g. as starter cultures in the dairy industry or as probiotics, and research on their cell production is highly required. A first principles kinetic model was developed to describe and understand the biological, physical, and chemical...... mechanisms in a lactic acid bacteria fermentation. We present here a consistent approach for a methodology based parameter estimation for a lactic acid fermentation. In the beginning, just an initial knowledge based guess of parameters was available and an initial parameter estimation of the complete set...... of parameters was performed in order to get a good model fit to the data. However, not all parameters are identifiable with the given data set and model structure. Sensitivity, identifiability, and uncertainty analysis were completed and a relevant identifiable subset of parameters was determined for a new...

  11. Consistent phase-change modeling for CO2-based heat mining operation

    DEFF Research Database (Denmark)

    Singh, Ashok Kumar; Veje, Christian

    2017-01-01

    The accuracy of mathematical modeling of phase-change phenomena is limited if a simple, less accurate equation of state completes the governing partial differential equation. However, fluid properties (such as density, dynamic viscosity and compressibility) and saturation state are calculated using...... a highly accurate, complex equation of state. This leads to unstable and inaccurate simulation as the equation of state and governing partial differential equations are mutually inconsistent. In this study, the volume-translated Peng–Robinson equation of state was used with emphasis to model the liquid......–gas phase transition with more accuracy and consistency. Calculation of fluid properties and saturation state were based on the volume translated Peng–Robinson equation of state and results verified. The present model has been applied to a scenario to simulate a CO2-based heat mining process. In this paper...

  12. Simulation of recrystallization textures in FCC materials based on a self consistent model

    International Nuclear Information System (INIS)

    Bolmaro, R.E; Roatta, A; Fourty, A.L; Signorelli, J.W; Bertinetti, M.A

    2004-01-01

    The development of re-crystallization textures in FCC polycrystalline materials has been a long lasting scientific problem. The appearance of the so-called cubic component in high stack fault energy laminated FCC materials is not an entirely understood phenomenon. This work approaches the problem using a self- consistent simulation technique of homogenization. The information on first preferential neighbors is used in the model to consider grain boundary energies and intra granular misorientations and to treat the growth of grains and the mobility of the grain boundary. The energies accumulated by deformations are taken as conducting energies of the nucleation and the later growth is statistically governed by the grain boundary energies. The model shows the correct trend for re-crystallization textures obtained from previously simulated deformation textures for high and low stack fault energy FCC materials. The model's topological representation is discussed (CW)

  13. Nonparametric test of consistency between cosmological models and multiband CMB measurements

    Energy Technology Data Exchange (ETDEWEB)

    Aghamousa, Amir [Asia Pacific Center for Theoretical Physics, Pohang, Gyeongbuk 790-784 (Korea, Republic of); Shafieloo, Arman, E-mail: amir@apctp.org, E-mail: shafieloo@kasi.re.kr [Korea Astronomy and Space Science Institute, Daejeon 305-348 (Korea, Republic of)

    2015-06-01

    We present a novel approach to test the consistency of the cosmological models with multiband CMB data using a nonparametric approach. In our analysis we calibrate the REACT (Risk Estimation and Adaptation after Coordinate Transformation) confidence levels associated with distances in function space (confidence distances) based on the Monte Carlo simulations in order to test the consistency of an assumed cosmological model with observation. To show the applicability of our algorithm, we confront Planck 2013 temperature data with concordance model of cosmology considering two different Planck spectra combination. In order to have an accurate quantitative statistical measure to compare between the data and the theoretical expectations, we calibrate REACT confidence distances and perform a bias control using many realizations of the data. Our results in this work using Planck 2013 temperature data put the best fit ΛCDM model at 95% (∼ 2σ) confidence distance from the center of the nonparametric confidence set while repeating the analysis excluding the Planck 217 × 217 GHz spectrum data, the best fit ΛCDM model shifts to 70% (∼ 1σ) confidence distance. The most prominent features in the data deviating from the best fit ΛCDM model seems to be at low multipoles  18 < ℓ < 26 at greater than 2σ, ℓ ∼ 750 at ∼1 to 2σ and ℓ ∼ 1800 at greater than 2σ level. Excluding the 217×217 GHz spectrum the feature at ℓ ∼ 1800 becomes substantially less significance at ∼1 to 2σ confidence level. Results of our analysis based on the new approach we propose in this work are in agreement with other analysis done using alternative methods.

  14. Geochemical modelling and speciation studies of metal pollutants present in selected water systems in South Africa

    Science.gov (United States)

    Magu, M. M.; Govender, P. P.; Ngila, J. C.

    2016-04-01

    Metal pollutants in water poses great threats to living beings and hence requires to be monitored regularly to avoid loss of lives. Various analytical methods are available to monitor these pollutants in water and can be improved with time. Modelling of metal pollutants in any water system helps chemists, engineers and environmentalists to greatly understand the various chemical processes in such systems. Water samples were collected from waste water treatment plant and river from highlands close to its source all the way to the ocean as it passing through areas with high anthropogenic activities. Pre-concentration of pollutants in the samples was done through acid digestion and metal pollutants were analysed using inductively coupled plasma-optical emission spectra (ICP-OES) to determine the concentration levels. Metal concentrations ranged between 0.1356-0.4658 mg/L for Al; 0.0031-0.0050 mg/L for Co, 0.0019-0.0956 mg/L for Cr; 0.0028-0.3484 mg/L for Cu; 0.0489-0.3474 mg/L for Fe; 0.0033-0.0285 mg/L for Mn; 0.0056-0.0222 mg/L for Ni; 0.0265-0.4753 mg/L for Pb and 0.0052-0.5594 mg/L for Zn. Modelling work was performed using PHREEQC couple with Geochemist's workbench (GWB) to determine speciation dynamics and bioavailability of these pollutants. Modelling thus adds value to analytical methods and hence a better complementary tool to laboratory-based experimental studies.

  15. Use of stratigraphic, petrographic, hydrogeologic and geochemical information for hydrogeologic modelling based on geostatistical simulation

    International Nuclear Information System (INIS)

    Rohlig, K.J.; Fischer, H.; Poltl, B.

    2004-01-01

    This paper describes the stepwise utilization of geologic information from various sources for the construction of hydrogeological models of a sedimentary site by means of geostatistical simulation. It presents a practical application of aquifer characterisation by firstly simulating hydrogeological units and then the hydrogeological parameters. Due to the availability of a large amount of hydrogeological, geophysical and other data and information, the Gorleben site (Northern Germany) has been used for a case study in order to demonstrate the approach. The study, which has not yet been completed, tries to incorporate as much as possible of the available information and to characterise the remaining uncertainties. (author)

  16. KEMOD: A mixed chemical kinetic and equilibrium model of aqueous and solid phase geochemical reactions

    International Nuclear Information System (INIS)

    Yeh, G.T.; Iskra, G.A.

    1995-01-01

    This report presents the development of a mixed chemical Kinetic and Equilibrium MODel in which every chemical species can be treated either as a equilibrium-controlled or as a kinetically controlled reaction. The reaction processes include aqueous complexation, adsorption/desorption, ion exchange, precipitation/dissolution, oxidation/reduction, and acid/base reactions. Further development and modification of KEMOD can be made in: (1) inclusion of species switching solution algorithms, (2) incorporation of the effect of temperature and pressure on equilibrium and rate constants, and (3) extension to high ionic strength

  17. Commensurate comparisons of models with energy budget observations reveal consistent climate sensitivities

    Science.gov (United States)

    Armour, K.

    2017-12-01

    Global energy budget observations have been widely used to constrain the effective, or instantaneous climate sensitivity (ICS), producing median estimates around 2°C (Otto et al. 2013; Lewis & Curry 2015). A key question is whether the comprehensive climate models used to project future warming are consistent with these energy budget estimates of ICS. Yet, performing such comparisons has proven challenging. Within models, values of ICS robustly vary over time, as surface temperature patterns evolve with transient warming, and are generally smaller than the values of equilibrium climate sensitivity (ECS). Naively comparing values of ECS in CMIP5 models (median of about 3.4°C) to observation-based values of ICS has led to the suggestion that models are overly sensitive. This apparent discrepancy can partially be resolved by (i) comparing observation-based values of ICS to model values of ICS relevant for historical warming (Armour 2017; Proistosescu & Huybers 2017); (ii) taking into account the "efficacies" of non-CO2 radiative forcing agents (Marvel et al. 2015); and (iii) accounting for the sparseness of historical temperature observations and differences in sea-surface temperature and near-surface air temperature over the oceans (Richardson et al. 2016). Another potential source of discrepancy is a mismatch between observed and simulated surface temperature patterns over recent decades, due to either natural variability or model deficiencies in simulating historical warming patterns. The nature of the mismatch is such that simulated patterns can lead to more positive radiative feedbacks (higher ICS) relative to those engendered by observed patterns. The magnitude of this effect has not yet been addressed. Here we outline an approach to perform fully commensurate comparisons of climate models with global energy budget observations that take all of the above effects into account. We find that when apples-to-apples comparisons are made, values of ICS in models are

  18. Are water simulation models consistent with steady-state and ultrafast vibrational spectroscopy experiments?

    International Nuclear Information System (INIS)

    Schmidt, J.R.; Roberts, S.T.; Loparo, J.J.; Tokmakoff, A.; Fayer, M.D.; Skinner, J.L.

    2007-01-01

    Vibrational spectroscopy can provide important information about structure and dynamics in liquids. In the case of liquid water, this is particularly true for isotopically dilute HOD/D 2 O and HOD/H 2 O systems. Infrared and Raman line shapes for these systems were measured some time ago. Very recently, ultrafast three-pulse vibrational echo experiments have been performed on these systems, which provide new, exciting, and important dynamical benchmarks for liquid water. There has been tremendous theoretical effort expended on the development of classical simulation models for liquid water. These models have been parameterized from experimental structural and thermodynamic measurements. The goal of this paper is to determine if representative simulation models are consistent with steady-state, and especially with these new ultrafast, experiments. Such a comparison provides information about the accuracy of the dynamics of these simulation models. We perform this comparison using theoretical methods developed in previous papers, and calculate the experimental observables directly, without making the Condon and cumulant approximations, and taking into account molecular rotation, vibrational relaxation, and finite excitation pulses. On the whole, the simulation models do remarkably well; perhaps the best overall agreement with experiment comes from the SPC/E model

  19. Group Membership, Group Change, and Intergroup Attitudes: A Recategorization Model Based on Cognitive Consistency Principles

    Science.gov (United States)

    Roth, Jenny; Steffens, Melanie C.; Vignoles, Vivian L.

    2018-01-01

    The present article introduces a model based on cognitive consistency principles to predict how new identities become integrated into the self-concept, with consequences for intergroup attitudes. The model specifies four concepts (self-concept, stereotypes, identification, and group compatibility) as associative connections. The model builds on two cognitive principles, balance–congruity and imbalance–dissonance, to predict identification with social groups that people currently belong to, belonged to in the past, or newly belong to. More precisely, the model suggests that the relative strength of self-group associations (i.e., identification) depends in part on the (in)compatibility of the different social groups. Combining insights into cognitive representation of knowledge, intergroup bias, and explicit/implicit attitude change, we further derive predictions for intergroup attitudes. We suggest that intergroup attitudes alter depending on the relative associative strength between the social groups and the self, which in turn is determined by the (in)compatibility between social groups. This model unifies existing models on the integration of social identities into the self-concept by suggesting that basic cognitive mechanisms play an important role in facilitating or hindering identity integration and thus contribute to reducing or increasing intergroup bias. PMID:29681878

  20. Group Membership, Group Change, and Intergroup Attitudes: A Recategorization Model Based on Cognitive Consistency Principles

    Directory of Open Access Journals (Sweden)

    Jenny Roth

    2018-04-01

    Full Text Available The present article introduces a model based on cognitive consistency principles to predict how new identities become integrated into the self-concept, with consequences for intergroup attitudes. The model specifies four concepts (self-concept, stereotypes, identification, and group compatibility as associative connections. The model builds on two cognitive principles, balance–congruity and imbalance–dissonance, to predict identification with social groups that people currently belong to, belonged to in the past, or newly belong to. More precisely, the model suggests that the relative strength of self-group associations (i.e., identification depends in part on the (incompatibility of the different social groups. Combining insights into cognitive representation of knowledge, intergroup bias, and explicit/implicit attitude change, we further derive predictions for intergroup attitudes. We suggest that intergroup attitudes alter depending on the relative associative strength between the social groups and the self, which in turn is determined by the (incompatibility between social groups. This model unifies existing models on the integration of social identities into the self-concept by suggesting that basic cognitive mechanisms play an important role in facilitating or hindering identity integration and thus contribute to reducing or increasing intergroup bias.

  1. Group Membership, Group Change, and Intergroup Attitudes: A Recategorization Model Based on Cognitive Consistency Principles.

    Science.gov (United States)

    Roth, Jenny; Steffens, Melanie C; Vignoles, Vivian L

    2018-01-01

    The present article introduces a model based on cognitive consistency principles to predict how new identities become integrated into the self-concept, with consequences for intergroup attitudes. The model specifies four concepts (self-concept, stereotypes, identification, and group compatibility) as associative connections. The model builds on two cognitive principles, balance-congruity and imbalance-dissonance, to predict identification with social groups that people currently belong to, belonged to in the past, or newly belong to. More precisely, the model suggests that the relative strength of self-group associations (i.e., identification) depends in part on the (in)compatibility of the different social groups. Combining insights into cognitive representation of knowledge, intergroup bias, and explicit/implicit attitude change, we further derive predictions for intergroup attitudes. We suggest that intergroup attitudes alter depending on the relative associative strength between the social groups and the self, which in turn is determined by the (in)compatibility between social groups. This model unifies existing models on the integration of social identities into the self-concept by suggesting that basic cognitive mechanisms play an important role in facilitating or hindering identity integration and thus contribute to reducing or increasing intergroup bias.

  2. A Time consistent model for monetary value of man-sievert

    International Nuclear Information System (INIS)

    Na, S.H.; Kim, Sun G.

    2008-01-01

    Full text: Performing a cost-benefit analysis to establish optimum levels of radiation protection under the ALARA principle, we introduce a discrete stepwise model to evaluate man-sievert monetary value of Korea. The model formula, which is unique and country-specific, is composed of GDP, the nominal risk coefficient for cancer and hereditary effects, the aversion factor against radiation exposure, and the average life expectancy. Unlike previous researches on alpha-value assessment, we showed different alpha values optimized with respect to various ranges of individual dose, which would be more realistic and applicable to the radiation protection area. Employing economically constant term of GDP we showed the real values of man-sievert by year, which should be consistent in time series comparison even under price level fluctuation. GDP deflators of an economy have to be applied to measure one's own consistent value of radiation protection by year. In addition, we recommend that the concept of purchasing power parity should be adopted if it needs international comparison of alpha values in real terms. Finally, we explain the way that this stepwise model can be generalized simply to other countries without normalizing any country-specific factors. (author)

  3. Self-consistent nonlinear transmission line model of standing wave effects in a capacitive discharge

    International Nuclear Information System (INIS)

    Chabert, P.; Raimbault, J.L.; Rax, J.M.; Lieberman, M.A.

    2004-01-01

    It has been shown previously [Lieberman et al., Plasma Sources Sci. Technol. 11, 283 (2002)], using a non-self-consistent model based on solutions of Maxwell's equations, that several electromagnetic effects may compromise capacitive discharge uniformity. Among these, the standing wave effect dominates at low and moderate electron densities when the driving frequency is significantly greater than the usual 13.56 MHz. In the present work, two different global discharge models have been coupled to a transmission line model and used to obtain the self-consistent characteristics of the standing wave effect. An analytical solution for the wavelength λ was derived for the lossless case and compared to the numerical results. For typical plasma etching conditions (pressure 10-100 mTorr), a good approximation of the wavelength is λ/λ 0 ≅40 V 0 1/10 l -1/2 f -2/5 , where λ 0 is the wavelength in vacuum, V 0 is the rf voltage magnitude in volts at the discharge center, l is the electrode spacing in meters, and f the driving frequency in hertz

  4. Validity test and its consistency in the construction of patient loyalty model

    Science.gov (United States)

    Yanuar, Ferra

    2016-04-01

    The main objective of this present study is to demonstrate the estimation of validity values and its consistency based on structural equation model. The method of estimation was then implemented to an empirical data in case of the construction the patient loyalty model. In the hypothesis model, service quality, patient satisfaction and patient loyalty were determined simultaneously, each factor were measured by any indicator variables. The respondents involved in this study were the patients who ever got healthcare at Puskesmas in Padang, West Sumatera. All 394 respondents who had complete information were included in the analysis. This study found that each construct; service quality, patient satisfaction and patient loyalty were valid. It means that all hypothesized indicator variables were significant to measure their corresponding latent variable. Service quality is the most measured by tangible, patient satisfaction is the most mesured by satisfied on service and patient loyalty is the most measured by good service quality. Meanwhile in structural equation, this study found that patient loyalty was affected by patient satisfaction positively and directly. Service quality affected patient loyalty indirectly with patient satisfaction as mediator variable between both latent variables. Both structural equations were also valid. This study also proved that validity values which obtained here were also consistence based on simulation study using bootstrap approach.

  5. Metal availability in a highly contaminated, dredged-sediment disposal site: field measurements and geochemical modeling.

    Science.gov (United States)

    Lions, Julie; Guérin, Valérie; Bataillard, Philippe; van der Lee, Jan; Laboudigue, Agnès

    2010-09-01

    Two complementary approaches were used to characterize arsenic and metal mobilizations from a dredged-sediment disposal site: a detailed field study combined with hydrogeochemical modeling. Contaminants in sediments were found to be mainly present as sulfides subject to oxidation. Secondary phases (carbonates, sulfates, (hydr)oxides) were also observed. Oxidative processes occurred at different rates depending on physicochemical conditions and contaminant contents in the sediment. Two distinct areas were identified on the site, each corresponding to a specific contaminant mobility behavior. In a reducing area, Fe and As were highly soluble and illustrated anoxic behavior. In well-oxygenated material, groundwater was highly contaminated in Zn, Cd and Pb. A third zone in which sediments and groundwater were less contaminated was also characterized. This study enabled us to prioritize remediation work, which should aim to limit infiltration and long-term environmental impact. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

  6. Influence of ammonia on leaching behaviors of incineration fly ash and its geochemical modeling

    DEFF Research Database (Denmark)

    Astrup, Thomas Fruergaard; Guan, Zhen Zhen; Chen, De Zhen

    2013-01-01

    Incineration fly ash could be contaminated with NH3 that was slipped from the ammonia-based selective non-catalytic reduction(SNCR) process and from evaporation of municipal solid wastes' leachate involved in the wastes. This research was conducted to investigate the impacts of ammonia on leaching....... It was proved that at pH>9, the leaching of DOC increased significantly in the presence of high concentrations of ammonia (≥1357 mg·L-1), but there was little effect when the ammonia level in eluates was not higher than 537 mg·L-1. At pH12, for Cd, Cu, Ni and Zn, their leaching species were predominantly...... by precipitation/dissolution and surface complexation/precipitation processes; Visual MINTEQ modeling could well describe the leaching behaviors of Al, Cu, Pb and Zn from incineration fly ash....

  7. Dynamic consistency of leader/fringe models of exhaustible resource markets

    International Nuclear Information System (INIS)

    Pelot, R.P.

    1990-01-01

    A dynamic feedback pricing model is developed for a leader/fringe supply market of exhaustible resources. The discrete game optimization model includes marginal costs which may be quadratic functions of cumulative production, a linear demand curve and variable length periods. The multiperiod formulation is based on the nesting of later periods' Kuhn-Tucker conditions into earlier periods' optimizations. This procedure leads to dynamically consistent solutions where the leader's strategy is credible as he has no incentive to alter his original plan at some later stage. A static leader-fringe model may yield multiple local optima. This can result in the leader forcing the fringe to produce at their capacity constraint, which would otherwise be non-binding if it is greater than the fringe's unconstrained optimal production rate. Conditions are developed where the optimal solution occurs at a corner where constraints meet, of which limit pricing is a special case. The 2-period leader/fringe feedback model is compared to the computationally simpler open-loop model. Under certain conditions, the open-loop model yields the same result as the feedback model. A multiperiod feedback model of the world oil market with OPEC as price-leader and the remaining world oil suppliers comprising the fringe is compared with the open-loop solution. The optimal profits and prices are very similar, but large differences in production rates may occur. The exhaustion date predicted by the open-loop model may also differ from the feedback outcome. Some numerical tests result in non-contiguous production periods for a player or limit pricing phases. 85 refs., 60 figs., 30 tabs

  8. Effect of source integration on the geochemical fluxes from springs

    International Nuclear Information System (INIS)

    Frisbee, Marty D.; Phillips, Fred M.; White, Art F.; Campbell, Andrew R.; Liu, Fengjing

    2013-01-01

    % overall and no springs are consistently composed of 100% groundwater; providing support for the fractional springflow conceptual model. Groundwater contributions are not strongly correlated with elevation, spring contributing area, spring discharge, or seasonality. This variability has a profound effect on long-term geochemical fluxes. The geochemical fluxes for total springflow overestimate long-term solute release by 22–48% as compared to fractional springflow. These findings illustrate that springflow generation, like streamflow generation, integrates many different sources of water reflecting solute concentrations obtained along many different geochemical weathering pathways. These data suggest that springs are not always ideal proxies for groundwater. Springs may be integrating very distinct portions of the groundwater flow field and these groundwater contributions may become mixed at the spring emergence with much younger sources of water that have never resided in the groundwater system.

  9. Self-consistent Bulge/Disk/Halo Galaxy Dynamical Modeling Using Integral Field Kinematics

    Science.gov (United States)

    Taranu, D. S.; Obreschkow, D.; Dubinski, J. J.; Fogarty, L. M. R.; van de Sande, J.; Catinella, B.; Cortese, L.; Moffett, A.; Robotham, A. S. G.; Allen, J. T.; Bland-Hawthorn, J.; Bryant, J. J.; Colless, M.; Croom, S. M.; D'Eugenio, F.; Davies, R. L.; Drinkwater, M. J.; Driver, S. P.; Goodwin, M.; Konstantopoulos, I. S.; Lawrence, J. S.; López-Sánchez, Á. R.; Lorente, N. P. F.; Medling, A. M.; Mould, J. R.; Owers, M. S.; Power, C.; Richards, S. N.; Tonini, C.

    2017-11-01

    We introduce a method for modeling disk galaxies designed to take full advantage of data from integral field spectroscopy (IFS). The method fits equilibrium models to simultaneously reproduce the surface brightness, rotation, and velocity dispersion profiles of a galaxy. The models are fully self-consistent 6D distribution functions for a galaxy with a Sérsic profile stellar bulge, exponential disk, and parametric dark-matter halo, generated by an updated version of GalactICS. By creating realistic flux-weighted maps of the kinematic moments (flux, mean velocity, and dispersion), we simultaneously fit photometric and spectroscopic data using both maximum-likelihood and Bayesian (MCMC) techniques. We apply the method to a GAMA spiral galaxy (G79635) with kinematics from the SAMI Galaxy Survey and deep g- and r-band photometry from the VST-KiDS survey, comparing parameter constraints with those from traditional 2D bulge-disk decomposition. Our method returns broadly consistent results for shared parameters while constraining the mass-to-light ratios of stellar components and reproducing the H I-inferred circular velocity well beyond the limits of the SAMI data. Although the method is tailored for fitting integral field kinematic data, it can use other dynamical constraints like central fiber dispersions and H I circular velocities, and is well-suited for modeling galaxies with a combination of deep imaging and H I and/or optical spectra (resolved or otherwise). Our implementation (MagRite) is computationally efficient and can generate well-resolved models and kinematic maps in under a minute on modern processors.

  10. A self-consistent model of the three-phase interstellar medium in disk galaxies

    International Nuclear Information System (INIS)

    Wang, Z.

    1989-01-01

    In the present study the author analyzes a number of physical processes concerning velocity and spatial distributions, ionization structure, pressure variation, mass and energy balance, and equation of state of the diffuse interstellar gas in a three phase model. He also considers the effects of this model on the formation of molecular clouds and the evolution of disk galaxies. The primary purpose is to incorporate self-consistently the interstellar conditions in a typical late-type galaxy, and to relate these to various observed large-scale phenomena. He models idealized situations both analytically and numerically, and compares the results with observational data of the Milky Way Galaxy and other nearby disk galaxies. Several main conclusions of this study are: (1) the highly ionized gas found in the lower Galactic halo is shown to be consistent with a model in which the gas is photoionized by the diffuse ultraviolet radiation; (2) in a quasi-static and self-regulatory configuration, the photoelectric effects of interstellar grains are primarily responsible for heating the cold (T ≅ 100K) gas; the warm (T ≅ 8,000K) gas may be heated by supernova remnants and other mechanisms; (3) the large-scale atomic and molecular gas distributions in a sample of 15 disk galaxies can be well explained if molecular cloud formation and star formation follow a modified Schmidt Law; a scaling law for the radial gas profiles is proposed based on this model, and it is shown to be applicable to the nearby late-type galaxies where radio mapping data is available; for disk galaxies of earlier type, the effect of their massive central bulges may have to be taken into account

  11. RPA method based on the self-consistent cranking model for 168Er and 158Dy

    International Nuclear Information System (INIS)

    Kvasil, J.; Cwiok, S.; Chariev, M.M.; Choriev, B.

    1983-01-01

    The low-lying nuclear states in 168 Er and 158 Dy are analysed within the random phase approximation (RPA) method based on the self-consistent cranking model (SCCM). The moment of inertia, the value of chemical potential, and the strength constant k 1 have been obtained from the symmetry condition. The pairing strength constants Gsub(tau) have been determined from the experimental values of neutron and proton pairing energies for nonrotating nuclei. A quite good agreement with experimental energies of states with positive parity was obtained without introducing the two-phonon vibrational states

  12. Quest for consistent modelling of statistical decay of the compound nucleus

    Science.gov (United States)

    Banerjee, Tathagata; Nath, S.; Pal, Santanu

    2018-01-01

    A statistical model description of heavy ion induced fusion-fission reactions is presented where shell effects, collective enhancement of level density, tilting away effect of compound nuclear spin and dissipation are included. It is shown that the inclusion of all these effects provides a consistent picture of fission where fission hindrance is required to explain the experimental values of both pre-scission neutron multiplicities and evaporation residue cross-sections in contrast to some of the earlier works where a fission hindrance is required for pre-scission neutrons but a fission enhancement for evaporation residue cross-sections.

  13. A self-consistent model for thermodynamics of multicomponent solid solutions

    International Nuclear Information System (INIS)

    Svoboda, J.; Fischer, F.D.

    2016-01-01

    The self-consistent concept recently published in this journal (108, 27–30, 2015) is extended from a binary to a multicomponent system. This is possible by exploiting the trapping concept as basis for including the interaction of atoms in terms of pairs (e.g. A–A, B–B, C–C…) and couples (e.g. A–B, B–C, …) in a multicomponent system with A as solvent and B, C, … as dilute solutes. The model results in a formulation of Gibbs-energy, which can be minimized. Examples show that the couple and pair formation may influence the equilibrium Gibbs energy markedly.

  14. Intercomparison of Cement Solid-Solution Models. Issues Affecting the Geochemical Evolution of Repositories for Radioactive Waste

    International Nuclear Information System (INIS)

    Benbow, Steven; Savage, David; Walker, Colin

    2007-05-01

    Many concepts for the geological storage of radioactive waste incorporate cement based materials, which act to provide a chemical barrier, impede groundwater flow or provide structural integrity of the underground structures. Thus, it is important to understand the long-term behaviour of these materials when modelling scenarios for the potential release and migration of radionuclides. In the presence of invasive groundwater, the chemical and physical properties of cement, such as its pH buffering capacity, resistance to flow, and its mechanical properties, are expected to evolve with time. Modelling the degradation of cement is complicated by the fact that the long term pH buffer is controlled by the incongruent dissolution behaviour of calcium-silicate-hydrate (C-S-H) gel. It has been previously shown (SKI Report 2005:64) that it is possible to simulate the long term evolution of both the physical and chemical properties of cement based materials in an invasive groundwater using a fully coupled geochemical transport model. The description of the incongruent dissolution of C-S-H gel was based on a binary solid solution aqueous solution (SSAS) between end-member components portlandite (Ca(OH) 2 ) and a C-S-H gel composition expressed by its component oxides (CaH 2 SiO 4 ). The models considered a range of uncertainties including different groundwater compositions, parameterised couplings between the evolution of porosity with permeability and diffusivity and alternative secondary mineral assemblages. The results of the modelling suggested that alternative evolutions were possible under these different conditions. The focus of this report is to address the uncertainty regarding the choice of model for the C-S-H gel dissolution. We compare two alternative C-S-H SSAS models with the one that was used in the previous report, with an emphasis on a direct comparison of the model predictions. Thus we have chosen one simple simulated experimental model based on those in the

  15. Depositional models of the shallow marine carbonates in the geochemical cycle. Busshitsu junkan ni okeru asaumi tansan'engan no taiseki model

    Energy Technology Data Exchange (ETDEWEB)

    Nakamori, T [Tohoku University, Sendai (Japan). Institute of Geology and Paleontology

    1993-06-15

    This paper summarizes depositional models of carbonates related to carbon circulation on the earth surface. The paper lists the following examples of modelling the Recent coral reefs: A model that divides coral reefs into several boxes corresponding to geographies, and estimates organic and inorganic carbon production in each box; and a model that discusses seawater flows to estimate fluxes of organic and inorganic carbons between the boxes and between the reefs and open seas. Carbon circulation in a time scale of the Quaternary may be described appropriately by the box model corresponding to the condition of deposition and dissolution of the carbonate rocks. Several examples of modelling oceans and coral reefs are described briefly. The paper lists a model by Berner et al. that notes migration of carbon, Ca, and Mg among five boxes of Ca-Mg silicate, ocean, atmosphere, calcite, and dolomite regarding the geochemical cycle during about 600 million years in the Phanerozoic era. It also explains a model developed from the former model. 39 refs., 1 fig.

  16. Modeling of geochemical processes related to uranium mobilization in the groundwater of a uranium mine

    International Nuclear Information System (INIS)

    Gomez, P.; Garralon, A.; Buil, B.; Turrero, Ma.J.; Sanchez, L.; Cruz, B. de la

    2006-01-01

    This paper describes the processes leading to uranium distribution in the groundwater of five boreholes near a restored uranium mine (dug in granite), and the environmental impact of restoration work in the discharge area. The groundwater uranium content varied from < 1 μg/L in reduced water far from the area of influence of the uranium ore-containing dyke, to 104 μg/L in a borehole hydraulically connected to the mine. These values, however, fail to reflect a chemical equilibrium between the water and the pure mineral phases. A model for the mobilization of uranium in this groundwater is therefore proposed. This involves the percolation of oxidized waters through the fractured granite, leading to the oxidation of pyrite and arsenopyrite and the precipitation of iron oxyhydroxides. This in turn leads to the dissolution of the primary pitchblende and, subsequently, the release of U(VI) species to the groundwater. These U(VI) species are retained by iron hydroxides. Secondary uranium species are eventually formed as reducing conditions are re-established due to water-rock interactions

  17. Geochemical and geo-electrical study of mud pools at the Mutnovsky volcano (South Kamchatka, Russia): Behavior of elements, structures of feeding channels and a model of origin

    International Nuclear Information System (INIS)

    Bessonova, E.P.; Bortnikova, S.B.; Gora, M.P.; Manstein, Yu.A.; Shevko, A.Ya.; Panin, G.L.; Manstein, A.K.

    2012-01-01

    This study presents data on the geochemical composition of boiling mud pools at the Mutnovsky volcano. The physicochemical characteristics of the pools and the concentrations of major, minor and trace elements in pool solutions vary widely. A comparison of the geochemical compositions of host rocks and solutions indicates that leaching from rocks is not the only source of chemicals in thermal solutions. Geophysical studies reveal the inner structure of thermal fields, which reflect the shapes of the underground reservoirs and feed channels. Using geophysical methods (electrical resistivity tomography and frequency domain investigations), it was shown that the vertical structure and complex geochemical zonation of the feed channels leads to a high contrast in the compositions of the mud solutions. These findings answer questions about the origin and composition of surface manifestations. To elucidate the mechanisms of solution formation, an attempt was made to describe the magmatic fluid evolution and the resulting mixing of waters by physical and mathematical models. The model illustrates fluid migration from a magma chamber to the surface. It is shown that the formation of brines corresponding to the mud pool composition is possible during secondary boiling.

  18. A Self-Consistent Fault Slip Model for the 2011 Tohoku Earthquake and Tsunami

    Science.gov (United States)

    Yamazaki, Yoshiki; Cheung, Kwok Fai; Lay, Thorne

    2018-02-01

    The unprecedented geophysical and hydrographic data sets from the 2011 Tohoku earthquake and tsunami have facilitated numerous modeling and inversion analyses for a wide range of dislocation models. Significant uncertainties remain in the slip distribution as well as the possible contribution of tsunami excitation from submarine slumping or anelastic wedge deformation. We seek a self-consistent model for the primary teleseismic and tsunami observations through an iterative approach that begins with downsampling of a finite fault model inverted from global seismic records. Direct adjustment of the fault displacement guided by high-resolution forward modeling of near-field tsunami waveform and runup measurements improves the features that are not satisfactorily accounted for by the seismic wave inversion. The results show acute sensitivity of the runup to impulsive tsunami waves generated by near-trench slip. The adjusted finite fault model is able to reproduce the DART records across the Pacific Ocean in forward modeling of the far-field tsunami as well as the global seismic records through a finer-scale subfault moment- and rake-constrained inversion, thereby validating its ability to account for the tsunami and teleseismic observations without requiring an exotic source. The upsampled final model gives reasonably good fits to onshore and offshore geodetic observations albeit early after-slip effects and wedge faulting that cannot be reliably accounted for. The large predicted slip of over 20 m at shallow depth extending northward to 39.7°N indicates extensive rerupture and reduced seismic hazard of the 1896 tsunami earthquake zone, as inferred to varying extents by several recent joint and tsunami-only inversions.

  19. Study of (U,Pu)O2 spent fuel matrix alteration under geological disposal conditions: Experimental approach and geochemical modeling

    International Nuclear Information System (INIS)

    Odorowski, Melina

    2015-01-01

    To assess the performance of direct disposal of spent fuel in a nuclear waste repository, researches are performed on the long-term behavior of spent fuel (UO x and MO x ) under environmental conditions close to those of the French disposal site. The objective of this study is to determine whether the geochemistry of the Callovian-Oxfordian (CO x ) clay geological formation and the steel overpack corrosion (producing iron and hydrogen) have an impact on the oxidative dissolution of the (U,Pu)O 2 matrix under alpha radiolysis of water. Leaching experiments have been performed with UO 2 pellets doped with alpha emitters (Pu) and MIMAS MO x fuel (un-irradiated or spent fuel) to study the effect of the CO x groundwater and of the presence of metallic iron upon the oxidative dissolution of these materials induced by the radiolysis of water. Results indicate an inhibiting effect of the CO x water on the oxidative dissolution. In the presence of iron, two different behaviors are observed. Under alpha irradiation as the one expected in the geological disposal, the alteration of UO 2 matrix and MO x fuel is very strongly inhibited because of the consumption of radiolytic oxidative species by iron in solution leading to the precipitation of Fe(III)-hydroxides on the pellets surface. On the contrary, under a strong beta/gamma irradiation field, alteration tracers indicate that the oxidative dissolution goes on and that uranium concentration in solution is controlled by the solubility of UO 2 (am,hyd). This is explained by the shifting of the redox front from the fuel surface to the bulk solution not protecting the fuel anymore. The developed geochemical (CHESS) and reactive transport (HYTEC) models correctly represent the main results and occurring mechanisms. (author) [fr

  20. Comparison of squashing and self-consistent input-output models of quantum feedback

    Science.gov (United States)

    Peřinová, V.; Lukš, A.; Křepelka, J.

    2018-03-01

    The paper (Yanagisawa and Hope, 2010) opens with two ways of analysis of a measurement-based quantum feedback. The scheme of the feedback includes, along with the homodyne detector, a modulator and a beamsplitter, which does not enable one to extract the nonclassical field. In the present scheme, the beamsplitter is replaced by the quantum noise evader, which makes it possible to extract the nonclassical field. We re-approach the comparison of two models related to the same scheme. The first one admits that in the feedback loop between the photon annihilation and creation operators, unusual commutation relations hold. As a consequence, in the feedback loop, squashing of the light occurs. In the second one, the description arrives at the feedback loop via unitary transformations. But it is obvious that the unitary transformation which describes the modulator changes even the annihilation operator of the mode which passes by the modulator which is not natural. The first model could be called "squashing model" and the second one could be named "self-consistent model". Although the predictions of the two models differ only a little and both the ways of analysis have their advantages, they have also their drawbacks and further investigation is possible.

  1. A comprehensive, consistent and systematic mathematical model of PEM fuel cells

    International Nuclear Information System (INIS)

    Baschuk, J.J.; Li Xianguo

    2009-01-01

    This paper presents a comprehensive, consistent and systematic mathematical model for PEM fuel cells that can be used as the general formulation for the simulation and analysis of PEM fuel cells. As an illustration, the model is applied to an isothermal, steady state, two-dimensional PEM fuel cell. Water is assumed to be in either the gas phase or as a liquid phase in the pores of the polymer electrolyte. The model includes the transport of gas in the gas flow channels, electrode backing and catalyst layers; the transport of water and hydronium in the polymer electrolyte of the catalyst and polymer electrolyte layers; and the transport of electrical current in the solid phase. Water and ion transport in the polymer electrolyte was modeled using the generalized Stefan-Maxwell equations, based on non-equilibrium thermodynamics. Model simulations show that the bulk, convective gas velocity facilitates hydrogen transport from the gas flow channels to the anode catalyst layers, but inhibits oxygen transport. While some of the water required by the anode is supplied by the water produced in the cathode, the majority of water must be supplied by the anode gas phase, making operation with fully humidified reactants necessary. The length of the gas flow channel has a significant effect on the current production of the PEM fuel cell, with a longer channel length having a lower performance relative to a shorter channel length. This lower performance is caused by a greater variation in water content within the longer channel length

  2. Alligator Rivers Analogue project. Geochemical modelling of secondary uranium ore formation. Final Report - Volume 11

    International Nuclear Information System (INIS)

    Sverjensky, D.; Bennett, D.G.; Read, D.

    1992-01-01

    The purpose of the present study was to establish how the uranyl phosphate zone at the Koongarra site was formed. The overall approach taken in the present study employed theoretical chemical mass transfer calculations and models that permit investigation and reconstruction of the kinds of waters that could produce the uranyl phosphate zone. These calculations have used the geological and mineralogical data for the Koongarra weathered zone (Volumes 2, 8, and 9 of this series), to constrain the initial compositions and reactions undergone by groundwater during the formation of the uranyl phosphate zone. In carrying out these calculations the present-day analyses of Koongarra waters are used only as a guide to the possible initial composition of the fluids associated with the formation of the phosphate zone. Aqueous speciation, saturation state and chemical mass transfer calculations were carried out using the computer programs EQ3NR and EQ6 (Wolery, 1983; Wolery et al., 1984) and a thermodynamic database generated at The Johns Hopkins University over the last eight years which is tabulated in the Appendix 1 to Volume 12 of this series. Despite uncertainties in the thermodynamic characterisation of species, all the above calculations suggest that the uranyl phosphate zone at Koongarra has not formed from present-day groundwaters (Volume 12 of this series). The present-day groundwaters in the weathered zone (eg. at 13 m depth) appear to be undersaturated with respect to saleeite. Furthermore, as present-day groundwaters descend below the water table they rapidly lose their atmospheric oxygen imprint, as is typical of most groundwaters, and become even more reducing in character. Under these circumstances, the groundwaters become more undersaturated with respect to saleeite than the shallow groundwaters. Because much of the phosphate zone is currently below the water table, under saturated zone conditions, it is suggested in the present study that the uranyl phosphate

  3. Alligator Rivers Analogue project. Geochemical modelling of secondary uranium ore formation. Final Report - Volume 11

    Energy Technology Data Exchange (ETDEWEB)

    Sverjensky, D [The John Hopkins Univ, Dept of Earth and Planetary Sciences, Baltimore (United States); Bennett, D G; Read, D [W.S. Atkins Science and Technology, Epsom Surrey, (United Kingdom)

    1993-12-31

    The purpose of the present study was to establish how the uranyl phosphate zone at the Koongarra site was formed. The overall approach taken in the present study employed theoretical chemical mass transfer calculations and models that permit investigation and reconstruction of the kinds of waters that could produce the uranyl phosphate zone. These calculations have used the geological and mineralogical data for the Koongarra weathered zone (Volumes 2, 8, and 9 of this series), to constrain the initial compositions and reactions undergone by groundwater during the formation of the uranyl phosphate zone. In carrying out these calculations the present-day analyses of Koongarra waters are used only as a guide to the possible initial composition of the fluids associated with the formation of the phosphate zone. Aqueous speciation, saturation state and chemical mass transfer calculations were carried out using the computer programs EQ3NR and EQ6 (Wolery, 1983; Wolery et al., 1984) and a thermodynamic database generated at The Johns Hopkins University over the last eight years which is tabulated in the Appendix 1 to Volume 12 of this series. Despite uncertainties in the thermodynamic characterisation of species, all the above calculations suggest that the uranyl phosphate zone at Koongarra has not formed from present-day groundwaters (Volume 12 of this series). The present-day groundwaters in the weathered zone (eg. at 13 m depth) appear to be undersaturated with respect to saleeite. Furthermore, as present-day groundwaters descend below the water table they rapidly lose their atmospheric oxygen imprint, as is typical of most groundwaters, and become even more reducing in character. Under these circumstances, the groundwaters become more undersaturated with respect to saleeite than the shallow groundwaters. Because much of the phosphate zone is currently below the water table, under saturated zone conditions, it is suggested in the present study that the uranyl phosphate

  4. Alligator Rivers Analogue project. Geochemical modelling of secondary uranium ore formation. Final Report - Volume 11

    Energy Technology Data Exchange (ETDEWEB)

    Sverjensky, D. [The John Hopkins Univ, Dept of Earth and Planetary Sciences, Baltimore (United States); Bennett, D.G.; Read, D. [W.S. Atkins Science and Technology, Epsom Surrey, (United Kingdom)

    1992-12-31

    The purpose of the present study was to establish how the uranyl phosphate zone at the Koongarra site was formed. The overall approach taken in the present study employed theoretical chemical mass transfer calculations and models that permit investigation and reconstruction of the kinds of waters that could produce the uranyl phosphate zone. These calculations have used the geological and mineralogical data for the Koongarra weathered zone (Volumes 2, 8, and 9 of this series), to constrain the initial compositions and reactions undergone by groundwater during the formation of the uranyl phosphate zone. In carrying out these calculations the present-day analyses of Koongarra waters are used only as a guide to the possible initial composition of the fluids associated with the formation of the phosphate zone. Aqueous speciation, saturation state and chemical mass transfer calculations were carried out using the computer programs EQ3NR and EQ6 (Wolery, 1983; Wolery et al., 1984) and a thermodynamic database generated at The Johns Hopkins University over the last eight years which is tabulated in the Appendix 1 to Volume 12 of this series. Despite uncertainties in the thermodynamic characterisation of species, all the above calculations suggest that the uranyl phosphate zone at Koongarra has not formed from present-day groundwaters (Volume 12 of this series). The present-day groundwaters in the weathered zone (eg. at 13 m depth) appear to be undersaturated with respect to saleeite. Furthermore, as present-day groundwaters descend below the water table they rapidly lose their atmospheric oxygen imprint, as is typical of most groundwaters, and become even more reducing in character. Under these circumstances, the groundwaters become more undersaturated with respect to saleeite than the shallow groundwaters. Because much of the phosphate zone is currently below the water table, under saturated zone conditions, it is suggested in the present study that the uranyl phosphate

  5. Consistent modelling of wind turbine noise propagation from source to receiver

    DEFF Research Database (Denmark)

    Barlas, Emre; Zhu, Wei Jun; Shen, Wen Zhong

    2017-01-01

    The unsteady nature of wind turbine noise is a major reason for annoyance. The variation of far-field sound pressure levels is not only caused by the continuous change in wind turbine noise source levels but also by the unsteady flow field and the ground characteristics between the turbine...... propagation of a 5 MW wind turbine is investigated. Sound pressure level time series evaluated at the source time are studied for varying wind speeds, surface roughness, and ground impedances within a 2000 m radius from the turbine....... and receiver. To take these phenomena into account, a consistent numerical technique that models the sound propagation from the source to receiver is developed. Large eddy simulation with an actuator line technique is employed for the flow modelling and the corresponding flow fields are used to simulate sound...

  6. Self-consistent model for pulsed direct-current N2 glow discharge

    International Nuclear Information System (INIS)

    Liu Chengsen

    2005-01-01

    A self-consistent analysis of a pulsed direct-current (DC) N 2 glow discharge is presented. The model is based on a numerical solution of the continuity equations for electron and ions coupled with Poisson's equation. The spatial-temporal variations of ionic and electronic densities and electric field are obtained. The electric field structure exhibits all the characteristic regions of a typical glow discharge (the cathode fall, the negative glow, and the positive column). Current-voltage characteristics of the discharge can be obtained from the model. The calculated current-voltage results using a constant secondary electron emission coefficient for the gas pressure 133.32 Pa are in reasonable agreement with experiment. (authors)

  7. A self-consistent model for polycrystal deformation. Description and implementation

    International Nuclear Information System (INIS)

    Clausen, B.; Lorentzen, T.

    1997-04-01

    This report is a manual for the ANSI C implementation of an incremental elastic-plastic rate-insensitive self-consistent polycrystal deformation model based on (Hutchinson 1970). The model is furthermore described in the Ph.D. thesis by Clausen (Clausen 1997). The structure of the main program, sc m odel.c, and its subroutines are described with flow-charts. Likewise the pre-processor, sc i ni.c, is described with a flowchart. Default values of all the input parameters are given in the pre-processor, but the user is able to select from other pre-defined values or enter new values. A sample calculation is made and the results are presented as plots and examples of the output files are shown. (au) 4 tabs., 28 ills., 17 refs

  8. A self-consistent model for polycrystal deformation. Description and implementation

    Energy Technology Data Exchange (ETDEWEB)

    Clausen, B.; Lorentzen, T.

    1997-04-01

    This report is a manual for the ANSI C implementation of an incremental elastic-plastic rate-insensitive self-consistent polycrystal deformation model based on (Hutchinson 1970). The model is furthermore described in the Ph.D. thesis by Clausen (Clausen 1997). The structure of the main program, sc{sub m}odel.c, and its subroutines are described with flow-charts. Likewise the pre-processor, sc{sub i}ni.c, is described with a flowchart. Default values of all the input parameters are given in the pre-processor, but the user is able to select from other pre-defined values or enter new values. A sample calculation is made and the results are presented as plots and examples of the output files are shown. (au) 4 tabs., 28 ills., 17 refs.

  9. Self-Consistent Generation of Primordial Continental Crust in Global Mantle Convection Models

    Science.gov (United States)

    Jain, C.; Rozel, A.; Tackley, P. J.

    2017-12-01

    We present the generation of primordial continental crust (TTG rocks) using self-consistent and evolutionary thermochemical mantle convection models (Tackley, PEPI 2008). Numerical modelling commonly shows that mantle convection and continents have strong feedbacks on each other. However in most studies, continents are inserted a priori while basaltic (oceanic) crust is generated self-consistently in some models (Lourenco et al., EPSL 2016). Formation of primordial continental crust happened by fractional melting and crystallisation in episodes of relatively rapid growth from late Archean to late Proterozoic eras (3-1 Ga) (Hawkesworth & Kemp, Nature 2006) and it has also been linked to the onset of plate tectonics around 3 Ga. It takes several stages of differentiation to generate Tonalite-Trondhjemite-Granodiorite (TTG) rocks or proto-continents. First, the basaltic magma is extracted from the pyrolitic mantle which is both erupted at the surface and intruded at the base of the crust. Second, it goes through eclogitic transformation and then partially melts to form TTGs (Rudnick, Nature 1995; Herzberg & Rudnick, Lithos 2012). TTGs account for the majority of the Archean continental crust. Based on the melting conditions proposed by Moyen (Lithos 2011), the feasibility of generating TTG rocks in numerical simulations has already been demonstrated by Rozel et al. (Nature, 2017). Here, we have developed the code further by parameterising TTG formation. We vary the ratio of intrusive (plutonic) and extrusive (volcanic) magmatism (Crisp, Volcanol. Geotherm. 1984) to study the relative volumes of three petrological TTG compositions as reported from field data (Moyen, Lithos 2011). Furthermore, we systematically vary parameters such as friction coefficient, initial core temperature and composition-dependent viscosity to investigate the global tectonic regime of early Earth. Continental crust can also be destroyed by subduction or delamination. We will investigate

  10. Hydro-geochemical paths of multi-layer groundwater system in coal mining regions - Using multivariate statistics and geochemical modeling approaches.

    Science.gov (United States)

    Liu, Pu; Hoth, Nils; Drebenstedt, Carsten; Sun, Yajun; Xu, Zhimin

    2017-12-01

    Groundwater is an important drinking water resource that requires protection in North China. Coal mining industry in the area may influence the water quality evolution. To provide primary characterization of the hydrogeochemical processes and paths that control the water quality evolution, a complex multi-layer groundwater system in a coal mining area is investigated. Multivariate statistical methods involving hierarchical cluster analysis (HCA) and principal component analysis (PCA) are applied, 6 zones and 3 new principal components are classified as major reaction zones and reaction factors. By integrating HCA and PCA with hydrogeochemical correlations analysis, potential phases, reactions and connections between various zones are presented. Carbonates minerals, gypsum, clay minerals as well as atmosphere gases - CO 2 , H 2 O and NH 3 are recognized as major reactants. Mixtures, evaporation, dissolution/precipitation of minerals and cation exchange are potential reactions. Inverse modeling is finally used, and it verifies the detailed processes and diverse paths. Consequently, 4 major paths are found controlling the variations of groundwater chemical properties. Shallow and deep groundwater is connected primarily by the flow of deep groundwater up through fractures and faults into the shallow aquifers. Mining does not impact the underlying aquifers that represent the most critical groundwater resource. But controls should be taken to block the mixing processes from highly polluted mine water. The paper highlights the complex hydrogeochemical evolution of a multi-layer groundwater system under mining impact, which could be applied to further groundwater quality management in the study area, as well as most of the other coalfields in North China. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Self-consistent modeling of plasma response to impurity spreading from intense localized source

    International Nuclear Information System (INIS)

    Koltunov, Mikhail

    2012-07-01

    Non-hydrogen impurities unavoidably exist in hot plasmas of present fusion devices. They enter it intrinsically, due to plasma interaction with the wall of vacuum vessel, as well as are seeded for various purposes deliberately. Normally, the spots where injected particles enter the plasma are much smaller than its total surface. Under such conditions one has to expect a significant modification of local plasma parameters through various physical mechanisms, which, in turn, affect the impurity spreading. Self-consistent modeling of interaction between impurity and plasma is, therefore, not possible with linear approaches. A model based on the fluid description of electrons, main and impurity ions, and taking into account the plasma quasi-neutrality, Coulomb collisions of background and impurity charged particles, radiation losses, particle transport to bounding surfaces, is elaborated in this work. To describe the impurity spreading and the plasma response self-consistently, fluid equations for the particle, momentum and energy balances of various plasma components are solved by reducing them to ordinary differential equations for the time evolution of several parameters characterizing the solution in principal details: the magnitudes of plasma density and plasma temperatures in the regions of impurity localization and the spatial scales of these regions. The results of calculations for plasma conditions typical in tokamak experiments with impurity injection are presented. A new mechanism for the condensation phenomenon and formation of cold dense plasma structures is proposed.

  12. Consistent initial conditions for the Saint-Venant equations in river network modeling

    Directory of Open Access Journals (Sweden)

    C.-W. Yu

    2017-09-01

    Full Text Available Initial conditions for flows and depths (cross-sectional areas throughout a river network are required for any time-marching (unsteady solution of the one-dimensional (1-D hydrodynamic Saint-Venant equations. For a river network modeled with several Strahler orders of tributaries, comprehensive and consistent synoptic data are typically lacking and synthetic starting conditions are needed. Because of underlying nonlinearity, poorly defined or inconsistent initial conditions can lead to convergence problems and long spin-up times in an unsteady solver. Two new approaches are defined and demonstrated herein for computing flows and cross-sectional areas (or depths. These methods can produce an initial condition data set that is consistent with modeled landscape runoff and river geometry boundary conditions at the initial time. These new methods are (1 the pseudo time-marching method (PTM that iterates toward a steady-state initial condition using an unsteady Saint-Venant solver and (2 the steady-solution method (SSM that makes use of graph theory for initial flow rates and solution of a steady-state 1-D momentum equation for the channel cross-sectional areas. The PTM is shown to be adequate for short river reaches but is significantly slower and has occasional non-convergent behavior for large river networks. The SSM approach is shown to provide a rapid solution of consistent initial conditions for both small and large networks, albeit with the requirement that additional code must be written rather than applying an existing unsteady Saint-Venant solver.

  13. Thermodynamically Consistent Algorithms for the Solution of Phase-Field Models

    KAUST Repository

    Vignal, Philippe

    2016-02-11

    Phase-field models are emerging as a promising strategy to simulate interfacial phenomena. Rather than tracking interfaces explicitly as done in sharp interface descriptions, these models use a diffuse order parameter to monitor interfaces implicitly. This implicit description, as well as solid physical and mathematical footings, allow phase-field models to overcome problems found by predecessors. Nonetheless, the method has significant drawbacks. The phase-field framework relies on the solution of high-order, nonlinear partial differential equations. Solving these equations entails a considerable computational cost, so finding efficient strategies to handle them is important. Also, standard discretization strategies can many times lead to incorrect solutions. This happens because, for numerical solutions to phase-field equations to be valid, physical conditions such as mass conservation and free energy monotonicity need to be guaranteed. In this work, we focus on the development of thermodynamically consistent algorithms for time integration of phase-field models. The first part of this thesis focuses on an energy-stable numerical strategy developed for the phase-field crystal equation. This model was put forward to model microstructure evolution. The algorithm developed conserves, guarantees energy stability and is second order accurate in time. The second part of the thesis presents two numerical schemes that generalize literature regarding energy-stable methods for conserved and non-conserved phase-field models. The time discretization strategies can conserve mass if needed, are energy-stable, and second order accurate in time. We also develop an adaptive time-stepping strategy, which can be applied to any second-order accurate scheme. This time-adaptive strategy relies on a backward approximation to give an accurate error estimator. The spatial discretization, in both parts, relies on a mixed finite element formulation and isogeometric analysis. The codes are

  14. Coupled geochemical and solute transport code development

    International Nuclear Information System (INIS)

    Morrey, J.R.; Hostetler, C.J.

    1985-01-01

    A number of coupled geochemical hydrologic codes have been reported in the literature. Some of these codes have directly coupled the source-sink term to the solute transport equation. The current consensus seems to be that directly coupling hydrologic transport and chemical models through a series of interdependent differential equations is not feasible for multicomponent problems with complex geochemical processes (e.g., precipitation/dissolution reactions). A two-step process appears to be the required method of coupling codes for problems where a large suite of chemical reactions must be monitored. Two-step structure requires that the source-sink term in the transport equation is supplied by a geochemical code rather than by an analytical expression. We have developed a one-dimensional two-step coupled model designed to calculate relatively complex geochemical equilibria (CTM1D). Our geochemical module implements a Newton-Raphson algorithm to solve heterogeneous geochemical equilibria, involving up to 40 chemical components and 400 aqueous species. The geochemical module was designed to be efficient and compact. A revised version of the MINTEQ Code is used as a parent geochemical code

  15. Consistent post-reaction vibrational energy redistribution in DSMC simulations using TCE model

    Science.gov (United States)

    Borges Sebastião, Israel; Alexeenko, Alina

    2016-10-01

    The direct simulation Monte Carlo (DSMC) method has been widely applied to study shockwaves, hypersonic reentry flows, and other nonequilibrium flow phenomena. Although there is currently active research on high-fidelity models based on ab initio data, the total collision energy (TCE) and Larsen-Borgnakke (LB) models remain the most often used chemistry and relaxation models in DSMC simulations, respectively. The conventional implementation of the discrete LB model, however, may not satisfy detailed balance when recombination and exchange reactions play an important role in the flow energy balance. This issue can become even more critical in reacting mixtures involving polyatomic molecules, such as in combustion. In this work, this important shortcoming is addressed and an empirical approach to consistently specify the post-reaction vibrational states close to thermochemical equilibrium conditions is proposed within the TCE framework. Following Bird's quantum-kinetic (QK) methodology for populating post-reaction states, the new TCE-based approach involves two main steps. The state-specific TCE reaction probabilities for a forward reaction are first pre-computed from equilibrium 0-D simulations. These probabilities are then employed to populate the post-reaction vibrational states of the corresponding reverse reaction. The new approach is illustrated by application to exchange and recombination reactions relevant to H2-O2 combustion processes.

  16. Consistency of climate change projections from multiple global and regional model intercomparison projects

    Science.gov (United States)

    Fernández, J.; Frías, M. D.; Cabos, W. D.; Cofiño, A. S.; Domínguez, M.; Fita, L.; Gaertner, M. A.; García-Díez, M.; Gutiérrez, J. M.; Jiménez-Guerrero, P.; Liguori, G.; Montávez, J. P.; Romera, R.; Sánchez, E.

    2018-03-01

    We present an unprecedented ensemble of 196 future climate projections arising from different global and regional model intercomparison projects (MIPs): CMIP3, CMIP5, ENSEMBLES, ESCENA, EURO- and Med-CORDEX. This multi-MIP ensemble includes all regional climate model (RCM) projections publicly available to date, along with their driving global climate models (GCMs). We illustrate consistent and conflicting messages using continental Spain and the Balearic Islands as target region. The study considers near future (2021-2050) changes and their dependence on several uncertainty sources sampled in the multi-MIP ensemble: GCM, future scenario, internal variability, RCM, and spatial resolution. This initial work focuses on mean seasonal precipitation and temperature changes. The results show that the potential GCM-RCM combinations have been explored very unevenly, with favoured GCMs and large ensembles of a few RCMs that do not respond to any ensemble design. Therefore, the grand-ensemble is weighted towards a few models. The selection of a balanced, credible sub-ensemble is challenged in this study by illustrating several conflicting responses between the RCM and its driving GCM and among different RCMs. Sub-ensembles from different initiatives are dominated by different uncertainty sources, being the driving GCM the main contributor to uncertainty in the grand-ensemble. For this analysis of the near future changes, the emission scenario does not lead to a strong uncertainty. Despite the extra computational effort, for mean seasonal changes, the increase in resolution does not lead to important changes.

  17. Physically-consistent wall boundary conditions for the k-ω turbulence model

    DEFF Research Database (Denmark)

    Fuhrman, David R.; Dixen, Martin; Jacobsen, Niels Gjøl

    2010-01-01

    A model solving Reynolds-averaged Navier–Stokes equations, coupled with k-v turbulence closure, is used to simulate steady channel flow on both hydraulically smooth and rough beds. Novel experimental data are used as model validation, with k measured directly from all three components of the fluc......A model solving Reynolds-averaged Navier–Stokes equations, coupled with k-v turbulence closure, is used to simulate steady channel flow on both hydraulically smooth and rough beds. Novel experimental data are used as model validation, with k measured directly from all three components...... of the fluctuating velocity signal. Both conventional k = 0 and dk/dy = 0 wall boundary conditions are considered. Results indicate that either condition can provide accurate solutions, for the bulk of the flow, over both smooth and rough beds. It is argued that the zero-gradient condition is more consistent...... with the near wall physics, however, as it allows direct integration through a viscous sublayer near smooth walls, while avoiding a viscous sublayer near rough walls. This is in contrast to the conventional k = 0 wall boundary condition, which forces resolution of a viscous sublayer in all circumstances...

  18. Consistency and discrepancy in the atmospheric response to Arctic sea-ice loss across climate models

    Science.gov (United States)

    Screen, James A.; Deser, Clara; Smith, Doug M.; Zhang, Xiangdong; Blackport, Russell; Kushner, Paul J.; Oudar, Thomas; McCusker, Kelly E.; Sun, Lantao

    2018-03-01

    The decline of Arctic sea ice is an integral part of anthropogenic climate change. Sea-ice loss is already having a significant impact on Arctic communities and ecosystems. Its role as a cause of climate changes outside of the Arctic has also attracted much scientific interest. Evidence is mounting that Arctic sea-ice loss can affect weather and climate throughout the Northern Hemisphere. The remote impacts of Arctic sea-ice loss can only be properly represented using models that simulate interactions among the ocean, sea ice, land and atmosphere. A synthesis of six such experiments with different models shows consistent hemispheric-wide atmospheric warming, strongest in the mid-to-high-latitude lower troposphere; an intensification of the wintertime Aleutian Low and, in most cases, the Siberian High; a weakening of the Icelandic Low; and a reduction in strength and southward shift of the mid-latitude westerly winds in winter. The atmospheric circulation response seems to be sensitive to the magnitude and geographic pattern of sea-ice loss and, in some cases, to the background climate state. However, it is unclear whether current-generation climate models respond too weakly to sea-ice change. We advocate for coordinated experiments that use different models and observational constraints to quantify the climate response to Arctic sea-ice loss.

  19. Consistent modelling of wind turbine noise propagation from source to receiver.

    Science.gov (United States)

    Barlas, Emre; Zhu, Wei Jun; Shen, Wen Zhong; Dag, Kaya O; Moriarty, Patrick

    2017-11-01

    The unsteady nature of wind turbine noise is a major reason for annoyance. The variation of far-field sound pressure levels is not only caused by the continuous change in wind turbine noise source levels but also by the unsteady flow field and the ground characteristics between the turbine and receiver. To take these phenomena into account, a consistent numerical technique that models the sound propagation from the source to receiver is developed. Large eddy simulation with an actuator line technique is employed for the flow modelling and the corresponding flow fields are used to simulate sound generation and propagation. The local blade relative velocity, angle of attack, and turbulence characteristics are input to the sound generation model. Time-dependent blade locations and the velocity between the noise source and receiver are considered within a quasi-3D propagation model. Long-range noise propagation of a 5 MW wind turbine is investigated. Sound pressure level time series evaluated at the source time are studied for varying wind speeds, surface roughness, and ground impedances within a 2000 m radius from the turbine.

  20. Model for ICRF fast wave current drive in self-consistent MHD equilibria

    International Nuclear Information System (INIS)

    Bonoli, P.T.; Englade, R.C.; Porkolab, M.; Fenstermacher, M.E.

    1993-01-01

    Recently, a model for fast wave current drive in the ion cyclotron radio frequency (ICRF) range was incorporated into the current drive and MHD equilibrium code ACCOME. The ACCOME model combines a free boundary solution of the Grad Shafranov equation with the calculation of driven currents due to neutral beam injection, lower hybrid (LH) waves, bootstrap effects, and ICRF fast waves. The equilibrium and current drive packages iterate between each other to obtain an MHD equilibrium which is consistent with the profiles of driven current density. The ICRF current drive package combines a toroidal full-wave code (FISIC) with a parameterization of the current drive efficiency obtained from an adjoint solution of the Fokker Planck equation. The electron absorption calculation in the full-wave code properly accounts for the combined effects of electron Landau damping (ELD) and transit time magnetic pumping (TTMP), assuming a Maxwellian (or bi-Maxwellian) electron distribution function. Furthermore, the current drive efficiency includes the effects of particle trapping, momentum conserving corrections to the background Fokker Planck collision operator, and toroidally induced variations in the parallel wavenumbers of the injected ICRF waves. This model has been used to carry out detailed studies of advanced physics scenarios in the proposed Tokamak Physics Experiment (TPX). Results are shown, for example, which demonstrate the possibility of achieving stable equilibria at high beta and high bootstrap current fraction in TPX. Model results are also shown for the proposed ITER device

  1. Development of a 3D consistent 1D neutronics model for reactor core simulation

    International Nuclear Information System (INIS)

    Lee, Ki Bog; Joo, Han Gyu; Cho, Byung Oh; Zee, Sung Quun

    2001-02-01

    In this report a 3D consistent 1D model based on nonlinear analytic nodal method is developed to reproduce the 3D results. During the derivation, the current conservation factor (CCF) is introduced which guarantees the same axial neutron currents obtained from the 1D equation as the 3D reference values. Furthermore in order to properly use 1D group constants, a new 1D group constants representation scheme employing tables for the fuel temperature, moderator density and boron concentration is developed and functionalized for the control rod tip position. To test the 1D kinetics model with CCF, several steady state and transient calculations were performed and compared with 3D reference values. The errors of K-eff values were reduced about one tenth when using CCF without significant computational overhead. And the errors of power distribution were decreased to the range of one fifth or tenth at steady state calculation. The 1D kinetics model with CCF and the 1D group constant functionalization employing tables as a function of control rod tip position can provide preciser results at the steady state and transient calculation. Thus it is expected that the 1D kinetics model derived in this report can be used in the safety analysis, reactor real time simulation coupled with system analysis code, operator support system etc.

  2. A Time-Dependent Λ and G Cosmological Model Consistent with Cosmological Constraints

    Directory of Open Access Journals (Sweden)

    L. Kantha

    2016-01-01

    Full Text Available The prevailing constant Λ-G cosmological model agrees with observational evidence including the observed red shift, Big Bang Nucleosynthesis (BBN, and the current rate of acceleration. It assumes that matter contributes 27% to the current density of the universe, with the rest (73% coming from dark energy represented by the Einstein cosmological parameter Λ in the governing Friedmann-Robertson-Walker equations, derived from Einstein’s equations of general relativity. However, the principal problem is the extremely small value of the cosmological parameter (~10−52 m2. Moreover, the dark energy density represented by Λ is presumed to have remained unchanged as the universe expanded by 26 orders of magnitude. Attempts to overcome this deficiency often invoke a variable Λ-G model. Cosmic constraints from action principles require that either both G and Λ remain time-invariant or both vary in time. Here, we propose a variable Λ-G cosmological model consistent with the latest red shift data, the current acceleration rate, and BBN, provided the split between matter and dark energy is 18% and 82%. Λ decreases (Λ~τ-2, where τ is the normalized cosmic time and G increases (G~τn with cosmic time. The model results depend only on the chosen value of Λ at present and in the far future and not directly on G.

  3. A paradigm shift toward a consistent modeling framework to assess climate impacts

    Science.gov (United States)

    Monier, E.; Paltsev, S.; Sokolov, A. P.; Fant, C.; Chen, H.; Gao, X.; Schlosser, C. A.; Scott, J. R.; Dutkiewicz, S.; Ejaz, Q.; Couzo, E. A.; Prinn, R. G.; Haigh, M.

    2017-12-01

    Estimates of physical and economic impacts of future climate change are subject to substantial challenges. To enrich the currently popular approaches of assessing climate impacts by evaluating a damage function or by multi-model comparisons based on the Representative Concentration Pathways (RCPs), we focus here on integrating impacts into a self-consistent coupled human and Earth system modeling framework that includes modules that represent multiple physical impacts. In a sample application we show that this framework is capable of investigating the physical impacts of climate change and socio-economic stressors. The projected climate impacts vary dramatically across the globe in a set of scenarios with global mean warming ranging between 2.4°C and 3.6°C above pre-industrial by 2100. Unabated emissions lead to substantial sea level rise, acidification that impacts the base of the oceanic food chain, air pollution that exceeds health standards by tenfold, water stress that impacts an additional 1 to 2 billion people globally and agricultural productivity that decreases substantially in many parts of the world. We compare the outcomes from these forward-looking scenarios against the common goal described by the target-driven scenario of 2°C, which results in much smaller impacts. It is challenging for large internationally coordinated exercises to respond quickly to new policy targets. We propose that a paradigm shift toward a self-consistent modeling framework to assess climate impacts is needed to produce information relevant to evolving global climate policy and mitigation strategies in a timely way.

  4. Asphalt Volcanism as a Model to Understand the Geochemical Nature of Pitch Lake, a Planetary Analog for Titan and the Implications towards Methane Flux into Earth's Atmosphere.

    Science.gov (United States)

    Khan, A.

    2016-12-01

    Pitch Lake is located in the southwest peninsula of the island near La Brea in Trinidad and Tobago, covering an area of approximately 46 hectares. It was discovered in the year 1595 and is the largest of three natural asphalt lakes that exist on Earth. Pitch Lake is a large oval shaped reservoir composed of dominantly hydrocarbon compounds, but also includes minor amounts of clay and muddy water. It is a natural liquid asphalt desert, which is nourished by a form of petroleum consisting of mostly asphaltines from the surrounding oil-rich region. The hydrocarbons mix with mud and gases under high pressure during upward seepage, and the lighter portion evaporates or is volatilized, which produces a high-viscosity liquid asphalt residue. The residue on and near the surface is a hydrocarbon matrix, which poses extremely challenging environmental conditions to microorganisms characterized by an average low water activity in the range of 0.49 to 0.75, recalcitrant carbon substrates, and toxic chemical compounds. Nevertheless, an active microbial community of archaea and bacteria, many of them novel strains, was found to inhabit the liquid hydrocarbon matrix of Pitch Lake. Geochemical analyses of minerals, done by our team, which revealed sulfates, sulfides, silicates, and metals, normally associated with deep-water hydrothermal vents leads to our new hypothetical model to describe the origins of Pitch Lake and its importance to atmospheric and earth sciences. Pitch Lake is likely the terrestrial equivalent of an offshore submarine asphalt volcano just as La Brea Tar Pits are in some ways an on-land version of the asphalt volcanoes discovered off shore of Santa Barbara by Valentine et al. in 2010. Asphalt volcanism possibly also creates the habitat for chemosynthetic life that is widespread in this lake, as reported by Schulze-Makuch et al. in 2011 and Meckenstock et al. in 2014.

  5. Appliance of geochemical engineering in radioactive waste disposal

    International Nuclear Information System (INIS)

    Li Shuang; Zhang Chengjiang; Ni Shijun; Li Kuanliang

    2008-01-01

    The basic foundation of applying geochemical engineering to control environment, common engineering models of disposal radioactive waste and the functions of the engineering barriers are introduced in this paper. The authors take the geochemical engineering barrier materiel research of a radioactive waste repository as an example to explain the appliance of geochemical engineering in the disposal of radioactive waste. And the results show that it can enhance the security of the nuclear waste repository if we use geochemical engineering barrier. (authors)

  6. Net Rotation of the Lithosphere in Mantle Convection Models with Self-consistent Plate Generation

    Science.gov (United States)

    Gerault, M.; Coltice, N.

    2017-12-01

    Lateral variations in the viscosity structure of the lithosphere and the mantle give rise to a discordant motion between the two. In a deep mantle reference frame, this motion is called the net rotation of the lithosphere. Plate motion reconstructions, mantle flow computations, and inferences from seismic anisotropy all indicate some amount of net rotation using different mantle reference frames. While the direction of rotation is somewhat consistent across studies, the predicted amplitudes range from 0.1 deg/Myr to 0.3 deg/Myr at the present-day. How net rotation rates could have differed in the past is also a subject of debate and strong geodynamic arguments are missing from the discussion. This study provides the first net rotation calculations in 3-D spherical mantle convection models with self-consistent plate generation. We run the computations for billions of years of numerical integration. We look into how sensitive the net rotation is to major tectonic events, such as subduction initiation, continental breakup and plate reorganisations, and whether some governing principles from the models could guide plate motion reconstructions. The mantle convection problem is solved with the finite volume code StagYY using a visco-pseudo-plastic rheology. Mantle flow velocities are solely driven by buoyancy forces internal to the system, with free slip upper and lower boundary conditions. We investigate how the yield stress, the mantle viscosity structure and the properties of continents affect the net rotation over time. Models with large lateral viscosity variations from continents predict net rotations that are at least threefold faster than those without continents. Models where continents cover a third of the surface produce net rotation rates that vary from nearly zero to over 0.3 deg/Myr with rapide increase during continental breakup. The pole of rotation appears to migrate along no particular path. For all models, regardless of the yield stress and the

  7. Self-consistent Random Phase Approximation applied to a schematic model of the field theory

    International Nuclear Information System (INIS)

    Bertrand, Thierry

    1998-01-01

    The self-consistent Random Phase Approximation (SCRPA) is a method allowing in the mean-field theory inclusion of the correlations in the ground and excited states. It has the advantage of not violating the Pauli principle in contrast to RPA, that is based on the quasi-bosonic approximation; in addition, numerous applications in different domains of physics, show a possible variational character. However, the latter should be formally demonstrated. The first model studied with SCRPA is the anharmonic oscillator in the region where one of its symmetries is spontaneously broken. The ground state energy is reproduced by SCRPA more accurately than RPA, with no violation of the Ritz variational principle, what is not the case for the latter approximation. The success of SCRPA is the the same in case of ground state energy for a model mixing bosons and fermions. At the transition point the SCRPA is correcting RPA drastically, but far from this region the correction becomes negligible, both methods being of similar precision. In the deformed region in the case of RPA a spurious mode occurred due to the microscopical character of the model.. The SCRPA may also reproduce this mode very accurately and actually it coincides with an excitation in the exact spectrum

  8. Self-Consistent Atmosphere Models of the Most Extreme Hot Jupiters

    Science.gov (United States)

    Lothringer, Joshua; Barman, Travis

    2018-01-01

    We present a detailed look at self-consistent PHOENIX atmosphere models of the most highly irradiated hot Jupiters known to exist. These hot Jupiters typically have equilibrium temperatures approaching and sometimes exceeding 3000 K, orbiting A, F, and early-G type stars on orbits less than 0.03 AU (10x closer than Mercury is to the Sun). The most extreme example, KELT-9b, is the hottest known hot Jupiter with a measured dayside temperature of 4600 K. Many of the planets we model have recently attracted attention with high profile discoveries, including temperature inversions in WASP-33b and WASP-121, changing phase curve offsets possibly caused by magnetohydrodymanic effects in HAT-P-7b, and TiO in WASP-19b. Our modeling provides a look at the a priori expectations for these planets and helps us understand these recent discoveries. We show that, in the hottest cases, all molecules are dissociated down to relatively high pressures. These planets may have detectable temperature inversions, more akin to thermospheres than stratospheres in that an optical absorber like TiO or VO is not needed. Instead, the inversions are created by a lack of cooling in the IR combined with heating from atoms and ions at UV and blue optical wavelengths. We also reevaluate some of the assumptions that have been made in retrieval analyses of these planets.

  9. Methodology and consistency of slant and vertical assessments for ionospheric electron content models

    Science.gov (United States)

    Hernández-Pajares, Manuel; Roma-Dollase, David; Krankowski, Andrzej; García-Rigo, Alberto; Orús-Pérez, Raül

    2017-12-01

    A summary of the main concepts on global ionospheric map(s) [hereinafter GIM(s)] of vertical total electron content (VTEC), with special emphasis on their assessment, is presented in this paper. It is based on the experience accumulated during almost two decades of collaborative work in the context of the international global navigation satellite systems (GNSS) service (IGS) ionosphere working group. A representative comparison of the two main assessments of ionospheric electron content models (VTEC-altimeter and difference of Slant TEC, based on independent global positioning system data GPS, dSTEC-GPS) is performed. It is based on 26 GPS receivers worldwide distributed and mostly placed on islands, from the last quarter of 2010 to the end of 2016. The consistency between dSTEC-GPS and VTEC-altimeter assessments for one of the most accurate IGS GIMs (the tomographic-kriging GIM `UQRG' computed by UPC) is shown. Typical error RMS values of 2 TECU for VTEC-altimeter and 0.5 TECU for dSTEC-GPS assessments are found. And, as expected by following a simple random model, there is a significant correlation between both RMS and specially relative errors, mainly evident when large enough number of observations per pass is considered. The authors expect that this manuscript will be useful for new analysis contributor centres and in general for the scientific and technical community interested in simple and truly external ways of validating electron content models of the ionosphere.

  10. Providing comprehensive and consistent access to astronomical observatory archive data: the NASA archive model

    Science.gov (United States)

    McGlynn, Thomas; Fabbiano, Giuseppina; Accomazzi, Alberto; Smale, Alan; White, Richard L.; Donaldson, Thomas; Aloisi, Alessandra; Dower, Theresa; Mazzerella, Joseph M.; Ebert, Rick; Pevunova, Olga; Imel, David; Berriman, Graham B.; Teplitz, Harry I.; Groom, Steve L.; Desai, Vandana R.; Landry, Walter

    2016-07-01

    Since the turn of the millennium a constant concern of astronomical archives have begun providing data to the public through standardized protocols unifying data from disparate physical sources and wavebands across the electromagnetic spectrum into an astronomical virtual observatory (VO). In October 2014, NASA began support for the NASA Astronomical Virtual Observatories (NAVO) program to coordinate the efforts of NASA astronomy archives in providing data to users through implementation of protocols agreed within the International Virtual Observatory Alliance (IVOA). A major goal of the NAVO collaboration has been to step back from a piecemeal implementation of IVOA standards and define what the appropriate presence for the US and NASA astronomy archives in the VO should be. This includes evaluating what optional capabilities in the standards need to be supported, the specific versions of standards that should be used, and returning feedback to the IVOA, to support modifications as needed. We discuss a standard archive model developed by the NAVO for data archive presence in the virtual observatory built upon a consistent framework of standards defined by the IVOA. Our standard model provides for discovery of resources through the VO registries, access to observation and object data, downloads of image and spectral data and general access to archival datasets. It defines specific protocol versions, minimum capabilities, and all dependencies. The model will evolve as the capabilities of the virtual observatory and needs of the community change.

  11. First results of GERDA Phase II and consistency with background models

    Science.gov (United States)

    Agostini, M.; Allardt, M.; Bakalyarov, A. M.; Balata, M.; Barabanov, I.; Baudis, L.; Bauer, C.; Bellotti, E.; Belogurov, S.; Belyaev, S. T.; Benato, G.; Bettini, A.; Bezrukov, L.; Bode1, T.; Borowicz, D.; Brudanin, V.; Brugnera, R.; Caldwell, A.; Cattadori, C.; Chernogorov, A.; D'Andrea, V.; Demidova, E. V.; Di Marco, N.; Domula, A.; Doroshkevich, E.; Egorov, V.; Falkenstein, R.; Frodyma, N.; Gangapshev, A.; Garfagnini, A.; Gooch, C.; Grabmayr, P.; Gurentsov, V.; Gusev, K.; Hakenmüller, J.; Hegai, A.; Heisel, M.; Hemmer, S.; Hofmann, W.; Hult, M.; Inzhechik, L. V.; Janicskó Csáthy, J.; Jochum, J.; Junker, M.; Kazalov, V.; Kihm, T.; Kirpichnikov, I. V.; Kirsch, A.; Kish, A.; Klimenko, A.; Kneißl, R.; Knöpfle, K. T.; Kochetov, O.; Kornoukhov, V. N.; Kuzminov, V. V.; Laubenstein, M.; Lazzaro, A.; Lebedev, V. I.; Lehnert, B.; Liao, H. Y.; Lindner, M.; Lippi, I.; Lubashevskiy, A.; Lubsandorzhiev, B.; Lutter, G.; Macolino, C.; Majorovits, B.; Maneschg, W.; Medinaceli, E.; Miloradovic, M.; Mingazheva, R.; Misiaszek, M.; Moseev, P.; Nemchenok, I.; Palioselitis, D.; Panas, K.; Pandola, L.; Pelczar, K.; Pullia, A.; Riboldi, S.; Rumyantseva, N.; Sada, C.; Salamida, F.; Salathe, M.; Schmitt, C.; Schneider, B.; Schönert, S.; Schreiner, J.; Schulz, O.; Schütz, A.-K.; Schwingenheuer, B.; Selivanenko, O.; Shevzik, E.; Shirchenko, M.; Simgen, H.; Smolnikov, A.; Stanco, L.; Vanhoefer, L.; Vasenko, A. A.; Veresnikova, A.; von Sturm, K.; Wagner, V.; Wegmann, A.; Wester, T.; Wiesinger, C.; Wojcik, M.; Yanovich, E.; Zhitnikov, I.; Zhukov, S. V.; Zinatulina, D.; Zuber, K.; Zuzel, G.

    2017-01-01

    The GERDA (GERmanium Detector Array) is an experiment for the search of neutrinoless double beta decay (0νββ) in 76Ge, located at Laboratori Nazionali del Gran Sasso of INFN (Italy). GERDA operates bare high purity germanium detectors submersed in liquid Argon (LAr). Phase II of data-taking started in Dec 2015 and is currently ongoing. In Phase II 35 kg of germanium detectors enriched in 76Ge including thirty newly produced Broad Energy Germanium (BEGe) detectors is operating to reach an exposure of 100 kg·yr within about 3 years data taking. The design goal of Phase II is to reduce the background by one order of magnitude to get the sensitivity for T1/20ν = O≤ft( {{{10}26}} \\right){{ yr}}. To achieve the necessary background reduction, the setup was complemented with LAr veto. Analysis of the background spectrum of Phase II demonstrates consistency with the background models. Furthermore 226Ra and 232Th contamination levels consistent with screening results. In the first Phase II data release we found no hint for a 0νββ decay signal and place a limit of this process T1/20ν > 5.3 \\cdot {1025} yr (90% C.L., sensitivity 4.0·1025 yr). First results of GERDA Phase II will be presented.

  12. The self-consistent field model for Fermi systems with account of three-body interactions

    Directory of Open Access Journals (Sweden)

    Yu.M. Poluektov

    2015-12-01

    Full Text Available On the basis of a microscopic model of self-consistent field, the thermodynamics of the many-particle Fermi system at finite temperatures with account of three-body interactions is built and the quasiparticle equations of motion are obtained. It is shown that the delta-like three-body interaction gives no contribution into the self-consistent field, and the description of three-body forces requires their nonlocality to be taken into account. The spatially uniform system is considered in detail, and on the basis of the developed microscopic approach general formulas are derived for the fermion's effective mass and the system's equation of state with account of contribution from three-body forces. The effective mass and pressure are numerically calculated for the potential of "semi-transparent sphere" type at zero temperature. Expansions of the effective mass and pressure in powers of density are obtained. It is shown that, with account of only pair forces, the interaction of repulsive character reduces the quasiparticle effective mass relative to the mass of a free particle, and the attractive interaction raises the effective mass. The question of thermodynamic stability of the Fermi system is considered and the three-body repulsive interaction is shown to extend the region of stability of the system with the interparticle pair attraction. The quasiparticle energy spectrum is calculated with account of three-body forces.

  13. Height-Diameter Models for Mixed-Species Forests Consisting of Spruce, Fir, and Beech

    Directory of Open Access Journals (Sweden)

    Petráš Rudolf

    2014-06-01

    Full Text Available Height-diameter models define the general relationship between the tree height and diameter at each growth stage of the forest stand. This paper presents generalized height-diameter models for mixed-species forest stands consisting of Norway spruce (Picea abies Karst., Silver fir (Abies alba L., and European beech (Fagus sylvatica L. from Slovakia. The models were derived using two growth functions from the exponential family: the two-parameter Michailoff and three-parameter Korf functions. Generalized height-diameter functions must normally be constrained to pass through the mean stand diameter and height, and then the final growth model has only one or two parameters to be estimated. These “free” parameters are then expressed over the quadratic mean diameter, height and stand age and the final mathematical form of the model is obtained. The study material included 50 long-term experimental plots located in the Western Carpathians. The plots were established 40-50 years ago and have been repeatedly measured at 5 to 10-year intervals. The dataset includes 7,950 height measurements of spruce, 21,661 of fir and 5,794 of beech. As many as 9 regression models were derived for each species. Although the “goodness of fit” of all models showed that they were generally well suited for the data, the best results were obtained for silver fir. The coefficient of determination ranged from 0.946 to 0.948, RMSE (m was in the interval 1.94-1.97 and the bias (m was -0.031 to 0.063. Although slightly imprecise parameter estimation was established for spruce, the estimations of the regression parameters obtained for beech were quite less precise. The coefficient of determination for beech was 0.854-0.860, RMSE (m 2.67-2.72, and the bias (m ranged from -0.144 to -0.056. The majority of models using Korf’s formula produced slightly better estimations than Michailoff’s, and it proved immaterial which estimated parameter was fixed and which parameters

  14. Geometry and time scales of self-consistent orbits in a modified SU(2) model

    International Nuclear Information System (INIS)

    Jezek, D.M.; Hernandez, E.S.; Solari, H.G.

    1986-01-01

    We investigate the time-dependent Hartree-Fock flow pattern of a two-level many fermion system interacting via a two-body interaction which does not preserve the parity symmetry of standard SU(2) models. The geometrical features of the time-dependent Hartree-Fock energy surface are analyzed and a phase instability is clearly recognized. The time evolution of one-body observables along self-consistent and exact trajectories are examined together with the overlaps between both orbits. Typical time scales for the determinantal motion can be set and the validity of the time-dependent Hartree-Fock approach in the various regions of quasispin phase space is discussed

  15. Self-consistent model of the Rayleigh--Taylor instability in ablatively accelerated laser plasma

    International Nuclear Information System (INIS)

    Bychkov, V.V.; Golberg, S.M.; Liberman, M.A.

    1994-01-01

    A self-consistent approach to the problem of the growth rate of the Rayleigh--Taylor instability in laser accelerated targets is developed. The analytical solution of the problem is obtained by solving the complete system of the hydrodynamical equations which include both thermal conductivity and energy release due to absorption of the laser light. The developed theory provides a rigorous justification for the supplementary boundary condition in the limiting case of the discontinuity model. An analysis of the suppression of the Rayleigh--Taylor instability by the ablation flow is done and it is found that there is a good agreement between the obtained solution and the approximate formula σ = 0.9√gk - 3u 1 k, where g is the acceleration, u 1 is the ablation velocity. This paper discusses different regimes of the ablative stabilization and compares them with previous analytical and numerical works

  16. Self-consistent finite-temperature model of atom-laser coherence properties

    International Nuclear Information System (INIS)

    Fergusson, J.R.; Geddes, A.J.; Hutchinson, D.A.W.

    2005-01-01

    We present a mean-field model of a continuous-wave atom laser with Raman output coupling. The noncondensate is pumped at a fixed input rate which, in turn, pumps the condensate through a two-body scattering process obeying the Fermi golden rule. The gas is then coupled out by a Gaussian beam from the system, and the temperature and particle number are self-consistently evaluated against equilibrium constraints. We observe the dependence of the second-order coherence of the output upon the width of the output-coupling beam, and note that even in the presence of a highly coherent trapped gas, perfect coherence of the output matter wave is not guaranteed

  17. Homogenization of linearly anisotropic scattering cross sections in a consistent B1 heterogeneous leakage model

    International Nuclear Information System (INIS)

    Marleau, G.; Debos, E.

    1998-01-01

    One of the main problems encountered in cell calculations is that of spatial homogenization where one associates to an heterogeneous cell an homogeneous set of cross sections. The homogenization process is in fact trivial when a totally reflected cell without leakage is fully homogenized since it involved only a flux-volume weighting of the isotropic cross sections. When anisotropic leakages models are considered, in addition to homogenizing isotropic cross sections, the anisotropic scattering cross section must also be considered. The simple option, which consists of using the same homogenization procedure for both the isotropic and anisotropic components of the scattering cross section, leads to inconsistencies between the homogeneous and homogenized transport equation. Here we will present a method for homogenizing the anisotropic scattering cross sections that will resolve these inconsistencies. (author)

  18. The Consistent Kinetics Porosity (CKP) Model: A Theory for the Mechanical Behavior of Moderately Porous Solids

    Energy Technology Data Exchange (ETDEWEB)

    BRANNON,REBECCA M.

    2000-11-01

    A theory is developed for the response of moderately porous solids (no more than {approximately}20% void space) to high-strain-rate deformations. The model is consistent because each feature is incorporated in a manner that is mathematically compatible with the other features. Unlike simple p-{alpha} models, the onset of pore collapse depends on the amount of shear present. The user-specifiable yield function depends on pressure, effective shear stress, and porosity. The elastic part of the strain rate is linearly related to the stress rate, with nonlinear corrections from changes in the elastic moduli due to pore collapse. Plastically incompressible flow of the matrix material allows pore collapse and an associated macroscopic plastic volume change. The plastic strain rate due to pore collapse/growth is taken normal to the yield surface. If phase transformation and/or pore nucleation are simultaneously occurring, the inelastic strain rate will be non-normal to the yield surface. To permit hardening, the yield stress of matrix material is treated as an internal state variable. Changes in porosity and matrix yield stress naturally cause the yield surface to evolve. The stress, porosity, and all other state variables vary in a consistent manner so that the stress remains on the yield surface throughout any quasistatic interval of plastic deformation. Dynamic loading allows the stress to exceed the yield surface via an overstress ordinary differential equation that is solved in closed form for better numerical accuracy. The part of the stress rate that causes no plastic work (i.e-, the part that has a zero inner product with the stress deviator and the identity tensor) is given by the projection of the elastic stressrate orthogonal to the span of the stress deviator and the identity tensor.The model, which has been numerically implemented in MIG format, has been exercised under a wide array of extremal loading and unloading paths. As will be discussed in a companion

  19. Geochemical Constraints for Mercury's PCA-Derived Geochemical Terranes

    Science.gov (United States)

    Stockstill-Cahill, K. R.; Peplowski, P. N.

    2018-05-01

    PCA-derived geochemical terranes provide a robust, analytical means of defining these terranes using strictly geochemical inputs. Using the end members derived in this way, we are able to assess the geochemical implications for Mercury.

  20. Porosity Development in a Coastal Setting: A Reactive Transport Model to Assess the Influence of Heterogeneity of Hydrological, Geochemical and Lithological Conditions

    Science.gov (United States)

    Maqueda, A.; Renard, P.; Cornaton, F. J.

    2014-12-01

    Coastal karst networks are formed by mineral dissolution, mainly calcite, in the freshwater-saltwater mixing zone. The problem has been approached first by studying the kinetics of calcite dissolution and then coupling ion-pairing software with flow and mass transport models. Porosity development models require high computational power. A workaround to reduce computational complexity is to assume the calcite dissolution reaction is relatively fast, thus equilibrium chemistry can be used to model it (Sanford & Konikow, 1989). Later developments allowed the full coupling of kinetics and transport in a model. However kinetics effects of calcite dissolution were found negligible under the single set of assumed hydrological and geochemical boundary conditions. A model is implemented with the coupling of FeFlow software as the flow & transport module and PHREEQC4FEFLOW (Wissmeier, 2013) ion-pairing module. The model is used to assess the influence of heterogeneities in hydrological, geochemical and lithological boundary conditions on porosity evolution. The hydrologic conditions present in the karst aquifer of Quintana Roo coast in Mexico are used as a guide for generating inputs for simulations.

  1. Self consistent solution of the tJ model in the overdoped regime

    Science.gov (United States)

    Shastry, B. Sriram; Hansen, Daniel

    2013-03-01

    Detailed results from a recent microscopic theory of extremely correlated Fermi liquids, applied to the t-J model in two dimensions, are presented. The theory is to second order in a parameter λ, and is valid in the overdoped regime of the tJ model. The solution reported here is from Ref, where relevant equations given in Ref are self consistently solved for the square lattice. Thermodynamic variables and the resistivity are displayed at various densities and T for two sets of band parameters. The momentum distribution function and the renormalized electronic dispersion, its width and asymmetry are reported along principal directions of the zone. The optical conductivity is calculated. The electronic spectral function A (k , ω) probed in ARPES, is detailed with different elastic scattering parameters to account for the distinction between LASER and synchrotron ARPES. A high (binding) energy waterfall feature, sensitively dependent on the band hopping parameter t' is noted. This work was supported by DOE under Grant No. FG02-06ER46319.

  2. Study of impurity effects on CFETR steady-state scenario by self-consistent integrated modeling

    Science.gov (United States)

    Shi, Nan; Chan, Vincent S.; Jian, Xiang; Li, Guoqiang; Chen, Jiale; Gao, Xiang; Shi, Shengyu; Kong, Defeng; Liu, Xiaoju; Mao, Shifeng; Xu, Guoliang

    2017-12-01

    Impurity effects on fusion performance of China fusion engineering test reactor (CFETR) due to extrinsic seeding are investigated. An integrated 1.5D modeling workflow evolves plasma equilibrium and all transport channels to steady state. The one modeling framework for integrated tasks framework is used to couple the transport solver, MHD equilibrium solver, and source and sink calculations. A self-consistent impurity profile constructed using a steady-state background plasma, which satisfies quasi-neutrality and true steady state, is presented for the first time. Studies are performed based on an optimized fully non-inductive scenario with varying concentrations of Argon (Ar) seeding. It is found that fusion performance improves before dropping off with increasing {{Z}\\text{eff}} , while the confinement remains at high level. Further analysis of transport for these plasmas shows that low-k ion temperature gradient modes dominate the turbulence. The decrease in linear growth rate and resultant fluxes of all channels with increasing {{Z}\\text{eff}} can be traced to impurity profile change by transport. The improvement in confinement levels off at higher {{Z}\\text{eff}} . Over the regime of study there is a competition between the suppressed transport and increasing radiation that leads to a peak in the fusion performance at {{Z}\\text{eff}} (~2.78 for CFETR). Extrinsic impurity seeding to control divertor heat load will need to be optimized around this value for best fusion performance.

  3. Modeling of LH current drive in self-consistent elongated tokamak MHD equilibria

    International Nuclear Information System (INIS)

    Blackfield, D.T.; Devoto, R.S.; Fenstermacher, M.E.; Bonoli, P.T.; Porkolab, M.; Yugo, J.

    1989-01-01

    Calculations of non-inductive current drive typically have been used with model MHD equilibria which are independently generated from an assumed toroidal current profile or from a fit to an experiment. Such a method can lead to serious errors since the driven current can dramatically alter the equilibrium and changes in the equilibrium B-fields can dramatically alter the current drive. The latter effect is quite pronounced in LH current drive where the ray trajectories are sensitive to the local values of the magnetic shear and the density gradient. In order to overcome these problems, we have modified a LH simulation code to accommodate elongated plasmas with numerically generated equilibria. The new LH module has been added to the ACCOME code which solves for current drive by neutral beams, electric fields, and bootstrap effects in a self-consistent 2-D equilibrium. We briefly describe the model in the next section and then present results of a study of LH current drive in ITER. 2 refs., 6 figs., 2 tabs

  4. Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling

    International Nuclear Information System (INIS)

    Pera, H.; Kleijn, J. M.; Leermakers, F. A. M.

    2014-01-01

    To understand how lipid architecture determines the lipid bilayer structure and its mechanics, we implement a molecularly detailed model that uses the self-consistent field theory. This numerical model accurately predicts parameters such as Helfrichs mean and Gaussian bending modulus k c and k ¯ and the preferred monolayer curvature J 0 m , and also delivers structural membrane properties like the core thickness, and head group position and orientation. We studied how these mechanical parameters vary with system variations, such as lipid tail length, membrane composition, and those parameters that control the lipid tail and head group solvent quality. For the membrane composition, negatively charged phosphatidylglycerol (PG) or zwitterionic, phosphatidylcholine (PC), and -ethanolamine (PE) lipids were used. In line with experimental findings, we find that the values of k c and the area compression modulus k A are always positive. They respond similarly to parameters that affect the core thickness, but differently to parameters that affect the head group properties. We found that the trends for k ¯ and J 0 m can be rationalised by the concept of Israelachivili's surfactant packing parameter, and that both k ¯ and J 0 m change sign with relevant parameter changes. Although typically k ¯ 0 m ≫0, especially at low ionic strengths. We anticipate that these changes lead to unstable membranes as these become vulnerable to pore formation or disintegration into lipid disks

  5. Self consistent MHD modeling of the solar wind from polar coronal holes

    International Nuclear Information System (INIS)

    Stewart, G. A.; Bravo, S.

    1996-01-01

    We have developed a 2D self consistent MHD model for solar wind flow from antisymmetric magnetic geometries. We present results in the case of a photospheric magnetic field which has a dipolar configuration, in order to investigate some of the general characteristics of the wind at solar minimum. As in previous studies, we find that the magnetic configuration is that of a closed field region (a coronal helmet belt) around the solar equator, extending up to about 1.6 R · , and two large open field regions centred over the poles (polar coronal holes), whose magnetic and plasma fluxes expand to fill both hemispheres in interplanetary space. In addition, we find that the different geometries of the magnetic field lines across each hole (from the almost radial central polar lines to the highly curved border equatorial lines) cause the solar wind to have greatly different properties depending on which region it flows from. We find that, even though our simplified model cannot produce realistic wind values, we can obtain a polar wind that is faster, less dense and hotter than equatorial wind, and found that, close to the Sun, there exists a sharp transition between the two wind types. As these characteristics coincide with observations we conclude that both fast and slow solar wind can originate from coronal holes, fast wind from the centre, slow wind from the border

  6. Quantum self-consistency of AdSxΣ brane models

    International Nuclear Information System (INIS)

    Flachi, Antonino; Pujolas, Oriol

    2003-01-01

    Continuing our previous work, we consider a class of higher dimensional brane models with the topology of AdS D 1 +1 xΣ, where Σ is a one-parameter compact manifold and two branes of codimension one are located at the orbifold fixed points. We consider a setup where such a solution arises from Einstein-Yang-Mills theory and evaluate the one-loop effective potential induced by gauge fields and by a generic bulk scalar field. We show that this type of brane model resolves the gauge hierarchy between the Planck and electroweak scales through redshift effects due to the warp factor a=e -πkr . The value of a is then fixed by minimizing the effective potential. We find that, as in the Randall-Sundrum case, the gauge field contribution to the effective potential stabilizes the hierarchy without fine-tuning as long as the Laplacian Δ Σ on Σ has a zero eigenvalue. Scalar fields can stabilize the hierarchy depending on the mass and the nonminimal coupling. We also address the quantum self-consistency of the solution, showing that the classical brane solution is not spoiled by quantum effects

  7. Quantification of anthropogenic impact on groundwater-dependent terrestrial ecosystem using geochemical and isotope tools combined with 3-D flow and transport modelling

    Science.gov (United States)

    Zurek, A. J.; Witczak, S.; Dulinski, M.; Wachniew, P.; Rozanski, K.; Kania, J.; Postawa, A.; Karczewski, J.; Moscicki, W. J.

    2015-02-01

    Groundwater-dependent ecosystems (GDEs) have important functions in all climatic zones as they contribute to biological and landscape diversity and provide important economic and social services. Steadily growing anthropogenic pressure on groundwater resources creates a conflict situation between nature and man which are competing for clean and safe sources of water. Such conflicts are particularly noticeable in GDEs located in densely populated regions. A dedicated study was launched in 2010 with the main aim to better understand the functioning of a groundwater-dependent terrestrial ecosystem (GDTE) located in southern Poland. The GDTE consists of a valuable forest stand (Niepolomice Forest) and associated wetland (Wielkie Błoto fen). It relies mostly on groundwater from the shallow Quaternary aquifer and possibly from the deeper Neogene (Bogucice Sands) aquifer. In July 2009 a cluster of new pumping wells abstracting water from the Neogene aquifer was set up 1 km to the northern border of the fen. A conceptual model of the Wielkie Błoto fen area for the natural, pre-exploitation state and for the envisaged future status resulting from intense abstraction of groundwater through the new well field was developed. The main aim of the reported study was to probe the validity of the conceptual model and to quantify the expected anthropogenic impact on the studied GDTE. A wide range of research tools was used. The results obtained through combined geologic, geophysical, geochemical, hydrometric and isotope investigations provide strong evidence for the existence of upward seepage of groundwater from the deeper Neogene aquifer to the shallow Quaternary aquifer supporting the studied GDTE. Simulations of the groundwater flow field in the study area with the aid of a 3-D flow and transport model developed for Bogucice Sands (Neogene) aquifer and calibrated using environmental tracer data and observations of hydraulic head in three different locations on the study area

  8. Combination of a crop model and a geochemical model as a new approach to evaluate the sustainability of an intensive agriculture system.

    Science.gov (United States)

    Mohammed, Gihan; Trolard, Fabienne; Gillon, Marina; Cognard-Plancq, Anne-Laure; Chanzy, André; Bourrié, Guilhem

    2017-10-01

    By combining a crop model (STICS) and a geochemical model (PHREEQC), a new approach to assess the sustainability of agrosystems is proposed. It is based upon aqueous geochemistry and the stepwise modifications of soil solution during its transfer from the surface till aquifer. Meadows of Crau (SE France), irrigated since the 16th century, were field monitored (2012-2015) and modelled. Except for N, the mineral requirements of hay are largely covered by dissolved elements brought by irrigation water with only slight deficits in K and P, which are compensated by P-K fertilizers and the winter pasture by sheep. N cycle results in a very small nitrate leakage. The main determinants of the chemical composition changes of water are: concentration by evaporation, equilibration with soil pCO 2 , mineral nutrition of plants, input of fertilizers, sheep grazing, mineral-solution interactions in superficial formations till the aquifer, including ion exchange. Inverse modelling with PHREEQC allows for quantifying these processes. For groundwater, measured composition fit statistically very well with those computed, validating thus this approach. This long-term established agrosystem protects both soil and water resources: soil nutritional status remains constant with even some P and (minor) K fixation in soils; long-term decarbonatation occurs but it is greatly slowed by saturation of irrigation water by carbonate; P fixation in soil protects groundwater from eutrophication. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Self-consistent model of the low-latitude boundary layer

    International Nuclear Information System (INIS)

    Phan, T.D.; Sonnerup, B.U.Oe.; Lotko, W.

    1989-01-01

    A simple two-dimensional, steady state, viscous model of the dawnside and duskside low-latitude boundary layer (LLBL) has been developed. It incorporates coupling to the ionosphere via field-aligned currents and associated field-aligned potential drops, governed by a simple conductance law, and it describes boundary layer currents, magnetic fields, and plasma flow in a self-consistent manner. The magnetic field induced by these currents leads to two effects: (1) a diamagnetic depression of the magnetic field in the equatorial region and (2) bending of the field lines into parabolas in the xz plane with their vertices in the equatorial plane, at z = 0, and pointing in the flow direction, i.e., tailward. Both effects are strongest at the magnetopause edge of the boundary layer and vanish at the magnetospheric edge. The diamagnetic depression corresponds to an excess of plasma pressure in the equatorial boundary layer near the magnetopause. The boundary layer structure is governed by a fourth-order, nonlinear, ordinary differential equation in which one nondimensional parameter, the Hartmann number M, appears. A second parameter, introduced via the boundary conditions, is a nondimensional flow velocity v 0 * at the magnetopause. Numerical results from the model are presented and the possible use of observations to determine the model parameters is discussed. The main new contribution of the study is to provide a better description of the field and plasma configuration in the LLBL itself and to clarify in quantitative terms the circumstances in which induced magnetic fields become important

  10. Electron beam charging of insulators: A self-consistent flight-drift model

    International Nuclear Information System (INIS)

    Touzin, M.; Goeuriot, D.; Guerret-Piecourt, C.; Juve, D.; Treheux, D.; Fitting, H.-J.

    2006-01-01

    Electron beam irradiation and the self-consistent charge transport in bulk insulating samples are described by means of a new flight-drift model and an iterative computer simulation. Ballistic secondary electron and hole transport is followed by electron and hole drifts, their possible recombination and/or trapping in shallow and deep traps. The trap capture cross sections are the Poole-Frenkel-type temperature and field dependent. As a main result the spatial distributions of currents j(x,t), charges ρ(x,t), the field F(x,t), and the potential slope V(x,t) are obtained in a self-consistent procedure as well as the time-dependent secondary electron emission rate σ(t) and the surface potential V 0 (t). For bulk insulating samples the time-dependent distributions approach the final stationary state with j(x,t)=const=0 and σ=1. Especially for low electron beam energies E 0 G of a vacuum grid in front of the target surface. For high beam energies E 0 =10, 20, and 30 keV high negative surface potentials V 0 =-4, -14, and -24 kV are obtained, respectively. Besides open nonconductive samples also positive ion-covered samples and targets with a conducting and grounded layer (metal or carbon) on the surface have been considered as used in environmental scanning electron microscopy and common SEM in order to prevent charging. Indeed, the potential distributions V(x) are considerably small in magnitude and do not affect the incident electron beam neither by retarding field effects in front of the surface nor within the bulk insulating sample. Thus the spatial scattering and excitation distributions are almost not affected

  11. Towards three-dimensional continuum models of self-consistent along-strike megathrust segmentation

    Science.gov (United States)

    Pranger, Casper; van Dinther, Ylona; May, Dave; Le Pourhiet, Laetitia; Gerya, Taras

    2016-04-01

    into one algorithm. We are working towards presenting the first benchmarked 3D dynamic rupture models as an important step towards seismic cycle modelling of megathrust segmentation in a three-dimensional subduction setting with slow tectonic loading, self consistent fault development, and spontaneous seismicity.

  12. Geochemical exploration for uranium

    International Nuclear Information System (INIS)

    1988-01-01

    This Technical Report is designed mainly to introduce the methods and techniques of uranium geochemical exploration to exploration geologists who may not have had experience with geochemical exploration methods in their uranium programmes. The methods presented have been widely used in the uranium exploration industry for more than two decades. The intention has not been to produce an exhaustive, detailed manual, although detailed instructions are given for a field and laboratory data recording scheme and a satisfactory analytical method for the geochemical determination of uranium. Rather, the intention has been to introduce the concepts and methods of uranium exploration geochemistry in sufficient detail to guide the user in their effective use. Readers are advised to consult general references on geochemical exploration to increase their understanding of geochemical techniques for uranium

  13. The Devil in the Dark: A Fully Self-Consistent Seismic Model for Venus

    Science.gov (United States)

    Unterborn, C. T.; Schmerr, N. C.; Irving, J. C. E.

    2017-12-01

    The bulk composition and structure of Venus is unknown despite accounting for 40% of the mass of all the terrestrial planets in our Solar System. As we expand the scope of planetary science to include those planets around other stars, the lack of measurements of basic planetary properties such as moment of inertia, core-size and thermal profile for Venus hinders our ability to compare the potential uniqueness of the Earth and our Solar System to other planetary systems. Here we present fully self-consistent, whole-planet density and seismic velocity profiles calculated using the ExoPlex and BurnMan software packages for various potential Venusian compositions. Using these models, we explore the seismological implications of the different thermal and compositional initial conditions, taking into account phase transitions due to changes in pressure, temperature as well as composition. Using mass-radius constraints, we examine both the centre frequencies of normal mode oscillations and the waveforms and travel times of body waves. Seismic phases which interact with the core, phase transitions in the mantle, and shallower parts of Venus are considered. We also consider the detectability and transmission of these seismic waves from within the dense atmosphere of Venus. Our work provides coupled compositional-seismological reference models for the terrestrial planet in our Solar System of which we know the least. Furthermore, these results point to the potential wealth of fundamental scientific insights into Venus and Earth, as well as exoplanets, which could be gained by including a seismometer on future planetary exploration missions to Venus, the devil in the dark.

  14. Self-consistent modeling of radio-frequency plasma generation in stellarators

    Energy Technology Data Exchange (ETDEWEB)

    Moiseenko, V. E., E-mail: moiseenk@ipp.kharkov.ua; Stadnik, Yu. S., E-mail: stadnikys@kipt.kharkov.ua [National Academy of Sciences of Ukraine, National Science Center Kharkov Institute of Physics and Technology (Ukraine); Lysoivan, A. I., E-mail: a.lyssoivan@fz-juelich.de [Royal Military Academy, EURATOM-Belgian State Association, Laboratory for Plasma Physics (Belgium); Korovin, V. B. [National Academy of Sciences of Ukraine, National Science Center Kharkov Institute of Physics and Technology (Ukraine)

    2013-11-15

    A self-consistent model of radio-frequency (RF) plasma generation in stellarators in the ion cyclotron frequency range is described. The model includes equations for the particle and energy balance and boundary conditions for Maxwell’s equations. The equation of charged particle balance takes into account the influx of particles due to ionization and their loss via diffusion and convection. The equation of electron energy balance takes into account the RF heating power source, as well as energy losses due to the excitation and electron-impact ionization of gas atoms, energy exchange via Coulomb collisions, and plasma heat conduction. The deposited RF power is calculated by solving the boundary problem for Maxwell’s equations. When describing the dissipation of the energy of the RF field, collisional absorption and Landau damping are taken into account. At each time step, Maxwell’s equations are solved for the current profiles of the plasma density and plasma temperature. The calculations are performed for a cylindrical plasma. The plasma is assumed to be axisymmetric and homogeneous along the plasma column. The system of balance equations is solved using the Crank-Nicholson scheme. Maxwell’s equations are solved in a one-dimensional approximation by using the Fourier transformation along the azimuthal and longitudinal coordinates. Results of simulations of RF plasma generation in the Uragan-2M stellarator by using a frame antenna operating at frequencies lower than the ion cyclotron frequency are presented. The calculations show that the slow wave generated by the antenna is efficiently absorbed at the periphery of the plasma column, due to which only a small fraction of the input power reaches the confinement region. As a result, the temperature on the axis of the plasma column remains low, whereas at the periphery it is substantially higher. This leads to strong absorption of the RF field at the periphery via the Landau mechanism.

  15. Reproducibility and consistency of proteomic experiments on natural populations of a non-model aquatic insect.

    Science.gov (United States)

    Hidalgo-Galiana, Amparo; Monge, Marta; Biron, David G; Canals, Francesc; Ribera, Ignacio; Cieslak, Alexandra

    2014-01-01

    Population proteomics has a great potential to address evolutionary and ecological questions, but its use in wild populations of non-model organisms is hampered by uncontrolled sources of variation. Here we compare the response to temperature extremes of two geographically distant populations of a diving beetle species (Agabus ramblae) using 2-D DIGE. After one week of acclimation in the laboratory under standard conditions, a third of the specimens of each population were placed at either 4 or 27°C for 12 h, with another third left as a control. We then compared the protein expression level of three replicated samples of 2-3 specimens for each treatment. Within each population, variation between replicated samples of the same treatment was always lower than variation between treatments, except for some control samples that retained a wider range of expression levels. The two populations had a similar response, without significant differences in the number of protein spots over- or under-expressed in the pairwise comparisons between treatments. We identified exemplary proteins among those differently expressed between treatments, which proved to be proteins known to be related to thermal response or stress. Overall, our results indicate that specimens collected in the wild are suitable for proteomic analyses, as the additional sources of variation were not enough to mask the consistency and reproducibility of the response to the temperature treatments.

  16. A consistent model for the equilibrium thermodynamic functions of partially ionized flibe plasma with Coulomb corrections

    International Nuclear Information System (INIS)

    Zaghloul, Mofreh R.

    2003-01-01

    Flibe (2LiF-BeF2) is a molten salt that has been chosen as the coolant and breeding material in many design studies of the inertial confinement fusion (ICF) chamber. Flibe plasmas are to be generated in the ICF chamber in a wide range of temperatures and densities. These plasmas are more complex than the plasma of any single chemical species. Nevertheless, the composition and thermodynamic properties of the resulting flibe plasmas are needed for the gas dynamics calculations and the determination of other design parameters in the ICF chamber. In this paper, a simple consistent model for determining the detailed plasma composition and thermodynamic functions of high-temperature, fully dissociated and partially ionized flibe gas is presented and used to calculate different thermodynamic properties of interest to fusion applications. The computed properties include the average ionization state; kinetic pressure; internal energy; specific heats; adiabatic exponent, as well as the sound speed. The presented results are computed under the assumptions of local thermodynamic equilibrium (LTE) and electro-neutrality. A criterion for the validity of the LTE assumption is presented and applied to the computed results. Other attempts in the literature are assessed with their implied inaccuracies pointed out and discussed

  17. A fully kinetic, self-consistent particle simulation model of the collisionless plasma--sheath region

    International Nuclear Information System (INIS)

    Procassini, R.J.; Birdsall, C.K.; Morse, E.C.

    1990-01-01

    A fully kinetic particle-in-cell (PIC) model is used to self-consistently determine the steady-state potential profile in a collisionless plasma that contacts a floating, absorbing boundary. To balance the flow of particles to the wall, a distributed source region is used to inject particles into the one-dimensional system. The effect of the particle source distribution function on the source region and collector sheath potential drops, and particle velocity distributions is investigated. The ion source functions proposed by Emmert et al. [Phys. Fluids 23, 803 (1980)] and Bissell and Johnson [Phys. Fluids 30, 779 (1987)] (and various combinations of these) are used for the injection of both ions and electrons. The values of the potential drops obtained from the PIC simulations are compared to those from the theories of Emmert et al., Bissell and Johnson, and Scheuer and Emmert [Phys. Fluids 31, 3645 (1988)], all of which assume that the electron density is related to the plasma potential via the Boltzmann relation. The values of the source region and total potential drop are found to depend on the choice of the electron source function, as well as the ion source function. The question of an infinite electric field at the plasma--sheath interface, which arises in the analyses of Bissell and Johnson and Scheuer and Emmert, is also addressed

  18. Comprehensive and fully self-consistent modeling of modern semiconductor lasers

    International Nuclear Information System (INIS)

    Nakwaski, W.; Sarzał, R. P.

    2016-01-01

    The fully self-consistent model of modern semiconductor lasers used to design their advanced structures and to understand more deeply their properties is given in the present paper. Operation of semiconductor lasers depends not only on many optical, electrical, thermal, recombination, and sometimes mechanical phenomena taking place within their volumes but also on numerous mutual interactions between these phenomena. Their experimental investigation is quite complex, mostly because of miniature device sizes. Therefore, the most convenient and exact method to analyze expected laser operation and to determine laser optimal structures for various applications is to examine the details of their performance with the aid of a simulation of laser operation in various considered conditions. Such a simulation of an operation of semiconductor lasers is presented in this paper in a full complexity of all mutual interactions between the above individual physical processes. In particular, the hole-burning effect has been discussed. The impacts on laser performance introduced by oxide apertures (their sizes and localization) have been analyzed in detail. Also, some important details concerning the operation of various types of semiconductor lasers are discussed. The results of some applications of semiconductor lasers are shown for successive laser structures. (paper)

  19. A self-consistent first-principle based approach to model carrier mobility in organic materials

    International Nuclear Information System (INIS)

    Meded, Velimir; Friederich, Pascal; Symalla, Franz; Neumann, Tobias; Danilov, Denis; Wenzel, Wolfgang

    2015-01-01

    Transport through thin organic amorphous films, utilized in OLEDs and OPVs, has been a challenge to model by using ab-initio methods. Charge carrier mobility depends strongly on the disorder strength and reorganization energy, both of which are significantly affected by the details in environment of each molecule. Here we present a multi-scale approach to describe carrier mobility in which the materials morphology is generated using DEPOSIT, a Monte Carlo based atomistic simulation approach, or, alternatively by molecular dynamics calculations performed with GROMACS. From this morphology we extract the material specific hopping rates, as well as the on-site energies using a fully self-consistent embedding approach to compute the electronic structure parameters, which are then used in an analytic expression for the carrier mobility. We apply this strategy to compute the carrier mobility for a set of widely studied molecules and obtain good agreement between experiment and theory varying over several orders of magnitude in the mobility without any freely adjustable parameters. The work focuses on the quantum mechanical step of the multi-scale workflow, explains the concept along with the recently published workflow optimization, which combines density functional with semi-empirical tight binding approaches. This is followed by discussion on the analytic formula and its agreement with established percolation fits as well as kinetic Monte Carlo numerical approaches. Finally, we skatch an unified multi-disciplinary approach that integrates materials science simulation and high performance computing, developed within EU project MMM@HPC

  20. Use of environmental isotope techniques in studying surface and groundwaters in the Damascus basin (Al-Ghotta): A case study of geochemical modeling of elements and pollutants transport

    International Nuclear Information System (INIS)

    Kattan, Z.

    2004-09-01

    This work discuses in details the hydrochemical and isotopic characteristics of surface and groundwaters in the Damascus Ghotta basin. In addition, it deals with the chemical and isotopic compositions of rainfall of some surrounding stations (Damascus, Bloudan, Arneh, Al-Kounietra, Izraa, Al-Souweida, Homs and Tartous). The objective of this research was to make new assessment of the available water resources in this basin, together with conducting essays to model geochemically the elements and pollutants transport in the groundwater, by the use of PHREEQM code.(author)

  1. Reaction of Topopah Spring tuff with J-13 water: a geochemical modeling approach using the EQ3/6 reaction path code

    Energy Technology Data Exchange (ETDEWEB)

    Delany, J.M.

    1985-11-25

    EQ3/6 geochemical modeling code package was used to investigate the interaction of the Topopah Spring Tuff and J-13 water at high temperatures. EQ3/6 input parameters were obtained from the results of laboratory experiments using USW G-1 core and J-13 water. Laboratory experiments were run at 150 and 250{sup 0}C for 66 days using both wafer-size and crushed tuff. EQ3/6 modeling reproduced results of the 150{sup 0}C experiments except for a small increase in the concentration of potassium that occurs in the first few days of the experiments. At 250{sup 0}C, the EQ3/6 modeling reproduced the major water/rock reactions except for a small increase in potassium, similar to that noted above, and an overall increase in aluminum. The increase in potassium concentration cannot be explained at this time, but the increase in A1 concentration is believed to be caused by the lack of thermodynamic data in the EQ3/6 data base for dachiardite, a zeolite observed as a run product at 250{sup 0}C. The ability to reproduce the majority of the experimental rock/water interactions at 150{sup 0}C validates the use of EQ3/6 as a geochemical modeling tool that can be used to theoretically investigate physical/chemical environments in support of the Waste Package Task of NNWSI.

  2. Reaction of Topopah Spring tuff with J-13 water: a geochemical modeling approach using the EQ3/6 reaction path code

    International Nuclear Information System (INIS)

    Delany, J.M.

    1985-01-01

    EQ3/6 geochemical modeling code package was used to investigate the interaction of the Topopah Spring Tuff and J-13 water at high temperatures. EQ3/6 input parameters were obtained from the results of laboratory experiments using USW G-1 core and J-13 water. Laboratory experiments were run at 150 and 250 0 C for 66 days using both wafer-size and crushed tuff. EQ3/6 modeling reproduced results of the 150 0 C experiments except for a small increase in the concentration of potassium that occurs in the first few days of the experiments. At 250 0 C, the EQ3/6 modeling reproduced the major water/rock reactions except for a small increase in potassium, similar to that noted above, and an overall increase in aluminum. The increase in potassium concentration cannot be explained at this time, but the increase in A1 concentration is believed to be caused by the lack of thermodynamic data in the EQ3/6 data base for dachiardite, a zeolite observed as a run product at 250 0 C. The ability to reproduce the majority of the experimental rock/water interactions at 150 0 C validates the use of EQ3/6 as a geochemical modeling tool that can be used to theoretically investigate physical/chemical environments in support of the Waste Package Task of NNWSI

  3. Multiscale Modeling at Nanointerfaces: Polymer Thin Film Materials Discovery via Thermomechanically Consistent Coarse Graining

    Science.gov (United States)

    Hsu, David D.

    Due to high nanointerfacial area to volume ratio, the properties of "nanoconfined" polymer thin films, blends, and composites become highly altered compared to their bulk homopolymer analogues. Understanding the structure-property mechanisms underlying this effect is an active area of research. However, despite extensive work, a fundamental framework for predicting the local and system-averaged thermomechanical properties as a function of configuration and polymer species has yet to be established. Towards bridging this gap, here, we present a novel, systematic coarse-graining (CG) method which is able to capture quantitatively, the thermomechanical properties of real polymer systems in bulk and in nanoconfined geometries. This method, which we call thermomechanically consistent coarse-graining (TCCG), is a two-bead-per-monomer CG hybrid approach through which bonded interactions are optimized to match the atomistic structure via the Iterative Boltzmann Inversion method (IBI), and nonbonded interactions are tuned to macroscopic targets through parametric studies. We validate the TCCG method by systematically developing coarse-grain models for a group of five specialized methacrylate-based polymers including poly(methyl methacrylate) (PMMA). Good correlation with bulk all-atom (AA) simulations and experiments is found for the temperature-dependent glass transition temperature (Tg) Flory-Fox scaling relationships, self-diffusion coefficients of liquid monomers, and modulus of elasticity. We apply this TCCG method also to bulk polystyrene (PS) using a comparable coarse-grain CG bead mapping strategy. The model demonstrates chain stiffness commensurate with experiments, and we utilize a density-correction term to improve the transferability of the elastic modulus over a 500 K range. Additionally, PS and PMMA models capture the unexplained, characteristically dissimilar scaling of Tg with the thickness of free-standing films as seen in experiments. Using vibrational

  4. Functional connectivity modeling of consistent cortico-striatal degeneration in Huntington's disease

    Directory of Open Access Journals (Sweden)

    Imis Dogan

    2015-01-01

    Full Text Available Huntington's disease (HD is a progressive neurodegenerative disorder characterized by a complex neuropsychiatric phenotype. In a recent meta-analysis we identified core regions of consistent neurodegeneration in premanifest HD in the striatum and middle occipital gyrus (MOG. For early manifest HD convergent evidence of atrophy was most prominent in the striatum, motor cortex (M1 and inferior frontal junction (IFJ. The aim of the present study was to functionally characterize this topography of brain atrophy and to investigate differential connectivity patterns formed by consistent cortico-striatal atrophy regions in HD. Using areas of striatal and cortical atrophy at different disease stages as seeds, we performed task-free resting-state and task-based meta-analytic connectivity modeling (MACM. MACM utilizes the large data source of the BrainMap database and identifies significant areas of above-chance co-activation with the seed-region via the activation-likelihood-estimation approach. In order to delineate functional networks formed by cortical as well as striatal atrophy regions we computed the conjunction between the co-activation profiles of striatal and cortical seeds in the premanifest and manifest stages of HD, respectively. Functional characterization of the seeds was obtained using the behavioral meta-data of BrainMap. Cortico-striatal atrophy seeds of the premanifest stage of HD showed common co-activation with a rather cognitive network including the striatum, anterior insula, lateral prefrontal, premotor, supplementary motor and parietal regions. A similar but more pronounced co-activation pattern, additionally including the medial prefrontal cortex and thalamic nuclei was found with striatal and IFJ seeds at the manifest HD stage. The striatum and M1 were functionally connected mainly to premotor and sensorimotor areas, posterior insula, putamen and thalamus. Behavioral characterization of the seeds confirmed that experiments

  5. A self-consistent kinetic modeling of a 1-D, bounded, plasma in ...

    Indian Academy of Sciences (India)

    ions, consistent with the idea of scattering off a random collection of stationary scattering points, while it yields a constant for slow ions, consistent with the idea of collisions experienced by a stationary particle in an ideal gas. For this treatment, o has been assumed independent of position. Pramana – J. Phys., Vol. 55, Nos 5 ...

  6. A Consistent Fuzzy Preference Relations Based ANP Model for R&D Project Selection

    Directory of Open Access Journals (Sweden)

    Chia-Hua Cheng

    2017-08-01

    Full Text Available In today’s rapidly changing economy, technology companies have to make decisions on research and development (R&D projects investment on a routine bases with such decisions having a direct impact on that company’s profitability, sustainability and future growth. Companies seeking profitable opportunities for investment and project selection must consider many factors such as resource limitations and differences in assessment, with consideration of both qualitative and quantitative criteria. Often, differences in perception by the various stakeholders hinder the attainment of a consensus of opinion and coordination efforts. Thus, in this study, a hybrid model is developed for the consideration of the complex criteria taking into account the different opinions of the various stakeholders who often come from different departments within the company and have different opinions about which direction to take. The decision-making trial and evaluation laboratory (DEMATEL approach is used to convert the cause and effect relations representing the criteria into a visual network structure. A consistent fuzzy preference relations based analytic network process (CFPR-ANP method is developed to calculate the preference-weights of the criteria based on the derived network structure. The CFPR-ANP is an improvement over the original analytic network process (ANP method in that it reduces the problem of inconsistency as well as the number of pairwise comparisons. The combined complex proportional assessment (COPRAS-G method is applied with fuzzy grey relations to resolve conflicts arising from differences in information and opinions provided by the different stakeholders about the selection of the most suitable R&D projects. This novel combination approach is then used to assist an international brand-name company to prioritize projects and make project decisions that will maximize returns and ensure sustainability for the company.

  7. Self-consistent Maxwell-Bloch model of quantum-dot photonic-crystal-cavity lasers

    Science.gov (United States)

    Cartar, William; Mørk, Jesper; Hughes, Stephen

    2017-08-01

    We present a powerful computational approach to simulate the threshold behavior of photonic-crystal quantum-dot (QD) lasers. Using a finite-difference time-domain (FDTD) technique, Maxwell-Bloch equations representing a system of thousands of statistically independent and randomly positioned two-level emitters are solved numerically. Phenomenological pure dephasing and incoherent pumping is added to the optical Bloch equations to allow for a dynamical lasing regime, but the cavity-mediated radiative dynamics and gain coupling of each QD dipole (artificial atom) is contained self-consistently within the model. These Maxwell-Bloch equations are implemented by using Lumerical's flexible material plug-in tool, which allows a user to define additional equations of motion for the nonlinear polarization. We implement the gain ensemble within triangular-lattice photonic-crystal cavities of various length N (where N refers to the number of missing holes), and investigate the cavity mode characteristics and the threshold regime as a function of cavity length. We develop effective two-dimensional model simulations which are derived after studying the full three-dimensional passive material structures by matching the cavity quality factors and resonance properties. We also demonstrate how to obtain the correct point-dipole radiative decay rate from Fermi's golden rule, which is captured naturally by the FDTD method. Our numerical simulations predict that the pump threshold plateaus around cavity lengths greater than N =9 , which we identify as a consequence of the complex spatial dynamics and gain coupling from the inhomogeneous QD ensemble. This behavior is not expected from simple rate-equation analysis commonly adopted in the literature, but is in qualitative agreement with recent experiments. Single-mode to multimode lasing is also observed, depending on the spectral peak frequency of the QD ensemble. Using a statistical modal analysis of the average decay rates, we also

  8. Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling

    Energy Technology Data Exchange (ETDEWEB)

    Pera, H.; Kleijn, J. M.; Leermakers, F. A. M., E-mail: Frans.leermakers@wur.nl [Laboratory of Physical Chemistry and Colloid Science, Wageningen University, Dreijenplein 6, 6307 HB Wageningen (Netherlands)

    2014-02-14

    To understand how lipid architecture determines the lipid bilayer structure and its mechanics, we implement a molecularly detailed model that uses the self-consistent field theory. This numerical model accurately predicts parameters such as Helfrichs mean and Gaussian bending modulus k{sub c} and k{sup ¯} and the preferred monolayer curvature J{sub 0}{sup m}, and also delivers structural membrane properties like the core thickness, and head group position and orientation. We studied how these mechanical parameters vary with system variations, such as lipid tail length, membrane composition, and those parameters that control the lipid tail and head group solvent quality. For the membrane composition, negatively charged phosphatidylglycerol (PG) or zwitterionic, phosphatidylcholine (PC), and -ethanolamine (PE) lipids were used. In line with experimental findings, we find that the values of k{sub c} and the area compression modulus k{sub A} are always positive. They respond similarly to parameters that affect the core thickness, but differently to parameters that affect the head group properties. We found that the trends for k{sup ¯} and J{sub 0}{sup m} can be rationalised by the concept of Israelachivili's surfactant packing parameter, and that both k{sup ¯} and J{sub 0}{sup m} change sign with relevant parameter changes. Although typically k{sup ¯}<0, membranes can form stable cubic phases when the Gaussian bending modulus becomes positive, which occurs with membranes composed of PC lipids with long tails. Similarly, negative monolayer curvatures appear when a small head group such as PE is combined with long lipid tails, which hints towards the stability of inverse hexagonal phases at the cost of the bilayer topology. To prevent the destabilisation of bilayers, PG lipids can be mixed into these PC or PE lipid membranes. Progressive loading of bilayers with PG lipids lead to highly charged membranes, resulting in J{sub 0}{sup m}≫0, especially at low ionic

  9. The applicability and limitations of the geochemical models and tools used in simulating radionuclide behaviour in natural waters. Lessons learned from the Blind Predictive Modelling exercises performed in conjunction with Natural Analogue studies

    International Nuclear Information System (INIS)

    Bruno, J.; Duro, L.; Grive, M.

    2001-07-01

    One of the key applications of Natural Analogue studies to the Performance Assessment (PA) of nuclear waste disposal has been the possibility to test the geochemical models and tools to be used in describing the migration of radionuclides in a future radioactive waste repository system. To this end, several geochemical modelling testing exercises (commonly denoted as Blind Predictive Modelling), have formed an integral part of Natural Analogue Studies over the last decade. Consequently, we thought that this is a timely occasion to make an evaluation of the experience gained and lessons learnt. We have reviewed, discussed and compared the results obtained from the Blind Prediction Modelling (BPM) exercises carried out within 7 Natural Analogue Studies: Oman, Pocos de Caldas, Cigar Lake, Maqarin, El Berrocal, Oklo and Palmottu. To make this comparison meaningful, we present the main geochemical characteristics of each site in order to highlight the most relevant mineralogical and hydrochemical differences. From the complete list of elements studied at all the investigated sites we have made a selection based on the relevance of a given element from a PA viewpoint and on the frequency this element has been included in the BPM exercises. The elements selected for discussion are: Sr, Ba, Sn, Pb, Se, Ni, Zn, REEs, Th and U. We have based our discussion on the results obtained from the speciation as well as solubility calculations. From the comparison of the results it is concluded that we can differentiate between three element categories: 1. Elements whose geochemical behaviour can be fairly well described by assuming solubility control exerted by pure solid phases of the given element (i.e. Th, U under reducing conditions and U in some sites under oxidising conditions); 2. Elements for which the association to major geochemical components of the system must be considered in order to explain their concentrations in groundwaters (i.e. Sr, Ba, Zn, Se, REEs and U under

  10. Self-consistent tight-binding model of B and N doping in graphene

    DEFF Research Database (Denmark)

    Pedersen, Thomas Garm; Pedersen, Jesper Goor

    2013-01-01

    . The impurity potential depends sensitively on the impurity occupancy, leading to a self-consistency requirement. We solve this problem using the impurity Green's function and determine the self-consistent local density of states at the impurity site and, thereby, identify acceptor and donor energy resonances.......Boron and nitrogen substitutional impurities in graphene are analyzed using a self-consistent tight-binding approach. An analytical result for the impurity Green's function is derived taking broken electron-hole symmetry into account and validated by comparison to numerical diagonalization...

  11. Consistent and Conservative Model Selection with the Adaptive LASSO in Stationary and Nonstationary Autoregressions

    DEFF Research Database (Denmark)

    Kock, Anders Bredahl

    2016-01-01

    We show that the adaptive Lasso is oracle efficient in stationary and nonstationary autoregressions. This means that it estimates parameters consistently, selects the correct sparsity pattern, and estimates the coefficients belonging to the relevant variables at the same asymptotic efficiency...

  12. Control of As and Ni releases from a uranium mill tailings neutralization circuit: Solution chemistry, mineralogy and geochemical modeling of laboratory study results

    Energy Technology Data Exchange (ETDEWEB)

    Mahoney, John [MWH Americas, Inc., 1801 California Street, Denver, CO 80202 (United States)], E-mail: john.j.mahoney@mwhglobal.com; Slaughter, Maynard [Earth Science, University of Northern Colorado, Greeley, CO 80639 (United States); Langmuir, Donald [Hydrochem Systems Corp., P.O. Box 23257, Silverthorne, CO 80498 (United States); Rowson, John [AREVA Resources Canada Inc., P.O. Box 9204, Saskatoon, SK, S7K 3X5 (Canada)

    2007-12-15

    Processing U ores in the JEB Mill of the McClean Lake Operation in northern Saskatchewan produces spent leaching solutions (raffinates) with pH {<=} 1.5, and As and Ni concentrations up to 6800 and 5200 mg L{sup -1}, respectively. Bench-scale neutralization experiments (pH 2-8) were performed to help optimize the design of mill processes for reducing As and Ni concentrations in tailings and raffinates to {<=}1 mg L{sup -1} prior to their disposal. Precipitate mineralogy determined by chemical analysis, XRD, SEM, EM, XM and EXAFS methods, included gypsum (the dominant precipitate), poorly crystalline scorodite (precipitated esp. from pH 2-4), annabergite, hydrobasaluminite, ferrihydrite, green rust II and theophrastite. The As was mostly in scorodite with smaller amounts in annabergite and trace As adsorbed and/or co-precipitated, probably by ferrihydrite. Geochemical modeling indicated that above pH 2, the ion activity product (IAP) of scorodite lies between the solubility products of amorphous and crystalline phases (log K{sub sp} = -23.0 and -25.83, respectively). The IAP decreases with increasing pH, suggesting that the crystallinity of the scorodite increases with pH. Forward geochemical models support the assumption that during neutralization, particles of added base produce sharp local pH gradients and disequilibrium with bulk solutions, facilitating annabergite and theophrastite precipitation.

  13. Self-Consistent Approach to Global Charge Neutrality in Electrokinetics: A Surface Potential Trap Model

    Directory of Open Access Journals (Sweden)

    Li Wan

    2014-03-01

    Full Text Available In this work, we treat the Poisson-Nernst-Planck (PNP equations as the basis for a consistent framework of the electrokinetic effects. The static limit of the PNP equations is shown to be the charge-conserving Poisson-Boltzmann (CCPB equation, with guaranteed charge neutrality within the computational domain. We propose a surface potential trap model that attributes an energy cost to the interfacial charge dissociation. In conjunction with the CCPB, the surface potential trap can cause a surface-specific adsorbed charge layer σ. By defining a chemical potential μ that arises from the charge neutrality constraint, a reformulated CCPB can be reduced to the form of the Poisson-Boltzmann equation, whose prediction of the Debye screening layer profile is in excellent agreement with that of the Poisson-Boltzmann equation when the channel width is much larger than the Debye length. However, important differences emerge when the channel width is small, so the Debye screening layers from the opposite sides of the channel overlap with each other. In particular, the theory automatically yields a variation of σ that is generally known as the “charge regulation” behavior, attendant with predictions of force variation as a function of nanoscale separation between two charged surfaces that are in good agreement with the experiments, with no adjustable or additional parameters. We give a generalized definition of the ζ potential that reflects the strength of the electrokinetic effect; its variations with the concentration of surface-specific and surface-nonspecific salt ions are shown to be in good agreement with the experiments. To delineate the behavior of the electro-osmotic (EO effect, the coupled PNP and Navier-Stokes equations are solved numerically under an applied electric field tangential to the fluid-solid interface. The EO effect is shown to exhibit an intrinsic time dependence that is noninertial in its origin. Under a step-function applied

  14. Assessing the Accuracy and Consistency of Language Proficiency Classification under Competing Measurement Models

    Science.gov (United States)

    Zhang, Bo

    2010-01-01

    This article investigates how measurement models and statistical procedures can be applied to estimate the accuracy of proficiency classification in language testing. The paper starts with a concise introduction of four measurement models: the classical test theory (CTT) model, the dichotomous item response theory (IRT) model, the testlet response…

  15. Reconnaissance Geochemical Study

    African Journals Online (AJOL)

    distribution patterns. The geochemical distribution maps of the elements reveal that Cu, Pb, Zn, Co, Sc, Ni, Cr, .... After filtration, the leached solutions were diluted with ultra ...... some other rare earth elements in the study area. The occurrence ...

  16. Hydrologic consistency as a basis for assessing complexity of monthly water balance models for the continental United States

    Science.gov (United States)

    Martinez, Guillermo F.; Gupta, Hoshin V.

    2011-12-01

    Methods to select parsimonious and hydrologically consistent model structures are useful for evaluating dominance of hydrologic processes and representativeness of data. While information criteria (appropriately constrained to obey underlying statistical assumptions) can provide a basis for evaluating appropriate model complexity, it is not sufficient to rely upon the principle of maximum likelihood (ML) alone. We suggest that one must also call upon a "principle of hydrologic consistency," meaning that selected ML structures and parameter estimates must be constrained (as well as possible) to reproduce desired hydrological characteristics of the processes under investigation. This argument is demonstrated in the context of evaluating the suitability of candidate model structures for lumped water balance modeling across the continental United States, using data from 307 snow-free catchments. The models are constrained to satisfy several tests of hydrologic consistency, a flow space transformation is used to ensure better consistency with underlying statistical assumptions, and information criteria are used to evaluate model complexity relative to the data. The results clearly demonstrate that the principle of consistency provides a sensible basis for guiding selection of model structures and indicate strong spatial persistence of certain model structures across the continental United States. Further work to untangle reasons for model structure predominance can help to relate conceptual model structures to physical characteristics of the catchments, facilitating the task of prediction in ungaged basins.

  17. Using open sidewalls for modelling self-consistent lithosphere subduction dynamics

    NARCIS (Netherlands)

    Chertova, M.V.; Geenen, T.; van den Berg, A.; Spakman, W.

    2012-01-01

    Subduction modelling in regional model domains, in 2-D or 3-D, is commonly performed using closed (impermeable) vertical boundaries. Here we investigate the merits of using open boundaries for 2-D modelling of lithosphere subduction. Our experiments are focused on using open and closed (free

  18. Studying the Consistency between and within the Student Mental Models for Atomic Structure

    Science.gov (United States)

    Zarkadis, Nikolaos; Papageorgiou, George; Stamovlasis, Dimitrios

    2017-01-01

    Science education research has revealed a number of student mental models for atomic structure, among which, the one based on Bohr's model seems to be the most dominant. The aim of the current study is to investigate the coherence of these models when students apply them for the explanation of a variety of situations. For this purpose, a set of…

  19. Pedagogical Approaches Used by Faculty in Holland's Model Environments: The Role of Environmental Consistency

    Science.gov (United States)

    Smart, John C.; Ethington, Corinna A.; Umbach, Paul D.

    2009-01-01

    This study examines the extent to which faculty members in the disparate academic environments of Holland's theory devote different amounts of time in their classes to alternative pedagogical approaches and whether such differences are comparable for those in "consistent" and "inconsistent" environments. The findings show wide variations in the…

  20. The interpretation of geochemical logs from the oceanic basement: mineral modelling in Ocean Drilling Program (ODP) Hole 735B

    International Nuclear Information System (INIS)

    Harvey, P.K.; Lovell, M.A.; Bristow, J.F.

    1991-01-01

    Leg 118 of the Ocean Drilling Program was carried out in the vicinity of the Southwest Indian Ridge. Of the boreholes drilled, by far the most important and scientifically spectacular is Hole 735B which was located on a shallow platform adjacent to the Atlantis II Transform. This hole penetrates some 500 m of gabbroic rocks representing Layer 3 of the oceanic crust. The recovered gabbros show considerable variation both in mineralogy and in the degree of deformation. Core recovery averages 87% and there is excellent control and correlation between the core and the wide range of logs obtained. Mineralogy logs are derived and presented using both core sample data and downhole geochemical logs for Hole 735B. The problems of transforming these data for the particular mineralogy encountered are discussed. (Author)

  1. Numerical simulation of in-situ chemical oxidation (ISCO) and biodegradation of petroleum hydrocarbons using a coupled model for bio-geochemical reactive transport

    Science.gov (United States)

    Marin, I. S.; Molson, J. W.

    2013-05-01

    Petroleum hydrocarbons (PHCs) are a major source of groundwater contamination, being a worldwide and well-known problem. Formed by a complex mixture of hundreds of organic compounds (including BTEX - benzene, toluene, ethylbenzene and xylenes), many of which are toxic and persistent in the subsurface and are capable of creating a serious risk to human health. Several remediation technologies can be used to clean-up PHC contamination. In-situ chemical oxidation (ISCO) and intrinsic bioremediation (IBR) are two promising techniques that can be applied in this case. However, the interaction of these processes with the background aquifer geochemistry and the design of an efficient treatment presents a challenge. Here we show the development and application of BIONAPL/Phreeqc, a modeling tool capable of simulating groundwater flow, contaminant transport with coupled biological and geochemical processes in porous or fractured porous media. BIONAPL/Phreeqc is based on the well-tested BIONAPL/3D model, using a powerful finite element simulation engine, capable of simulating non-aqueous phase liquid (NAPL) dissolution, density-dependent advective-dispersive transport, and solving the geochemical and kinetic processes with the library Phreeqc. To validate the model, we compared BIONAPL/Phreeqc with results from the literature for different biodegradation processes and different geometries, with good agreement. We then used the model to simulate the behavior of sodium persulfate (NaS2O8) as an oxidant for BTEX degradation, coupled with sequential biodegradation in a 2D case and to evaluate the effect of inorganic geochemistry reactions. The results show the advantages of a treatment train remediation scheme based on ISCO and IBR. The numerical performance and stability of the integrated BIONAPL/Phreeqc model was also verified.

  2. Geochemical modelling of the weathering zone of the 'Mina Fe' U deposit (Spain): A natural analogue for nuclear spent fuel alteration and stability processes in radwaste disposal

    International Nuclear Information System (INIS)

    Arcos, D.; Perez del Villar, L.; Bruno, J.; Domenech, C.

    2008-01-01

    The 'Mina Fe' U deposit (Salamanca, Spain) has been studied in the context of Enresa's programme for U-mine sites restoration and also as a natural analogue for processes in high-level nuclear waste (HLNW) geological disposal. The investigations encompassed an array of geoscience disciplines, such as structural geology, mineralogy, hydrogeology and elemental and isotopic geochemistry and hydrogeochemistry of the site. Based on the obtained results, a conceptual mineralogical and geochemical model was performed integrating the main geochemical processes occurring at the site: the interaction between oxidised and slightly acidic water with pyrite, pitchblende, calcite and dolomite, as essential minerals of the U fracture-filling mineralisation, and hydroxyapatite from the host rock, as the main source of P. This conceptual model has been tested in a systematic numerical model, which includes the main kinetic (pyrite and pitchblende dissolution) and equilibrium processes (carbonate mineral dissolution, and goethite, schoepite and autunite secondary precipitation). The results obtained from the reactive-transport model satisfactorily agree with the conceptual model previously established. The assumption of the precipitation of coffinite as a secondary mineral in the system cannot be correctly evaluated due to the lack of hydrochemical data from the reducing zone of the site and valid thermodynamic and kinetic data for this hydrated U(IV)-silicate. This precipitation can also be hampered by the probable existence of dissolved U(IV)-organic matter and/or uranyl carbonate complexes, which are thermodynamically stable under the alkaline and reducing conditions that prevail in the reducing zone of the system. Finally, the intense downwards oxic and acidic alteration in the upper part of the system is of no relevance for the performance assessment of a HLNW disposal. However, the acidic and oxidised conditions are quickly buffered to neutral-alkaline and reducing at very

  3. Macroscopic self-consistent model for external-reflection near-field microscopy

    International Nuclear Information System (INIS)

    Berntsen, S.; Bozhevolnaya, E.; Bozhevolnyi, S.

    1993-01-01

    The self-consistent macroscopic approach based on the Maxwell equations in two-dimensional geometry is developed to describe tip-surface interaction in external-reflection near-field microscopy. The problem is reduced to a single one-dimensional integral equation in terms of the Fourier components of the field at the plane of the sample surface. This equation is extended to take into account a pointlike scatterer placed on the sample surface. The power of light propagating toward the detector as the fiber mode is expressed by using the self-consistent field at the tip surface. Numerical results for trapezium-shaped tips are presented. The authors show that the sharper tip and the more confined fiber mode result in better resolution of the near-field microscope. Moreover, it is found that the tip-surface distance should not be too small so that better resolution is ensured. 14 refs., 10 figs

  4. The Bioenvironmental modeling of Bahar city based on Climate-consistent Architecture

    OpenAIRE

    Parna Kazemian

    2014-01-01

    The identification of the climate of a particularplace and the analysis of the climatic needs in terms of human comfort and theuse of construction materials is one of the prerequisites of aclimate-consistent design. In studies on climate and weather, usingillustrative reports, first a picture of the state of climate is offered. Then,based on the obtained results, the range of changes is determined, and thecause-effect relationships at different scales are identified. Finally, by ageneral exam...

  5. Self-consistent gyrokinetic modeling of neoclassical and turbulent impurity transport

    OpenAIRE

    Estève , D. ,; Sarazin , Y.; Garbet , X.; Grandgirard , V.; Breton , S. ,; Donnel , P. ,; Asahi , Y. ,; Bourdelle , C.; Dif-Pradalier , G; Ehrlacher , C.; Emeriau , C.; Ghendrih , Ph; Gillot , C.; Latu , G.; Passeron , C.

    2018-01-01

    International audience; Trace impurity transport is studied with the flux-driven gyrokinetic GYSELA code [V. Grandgirard et al., Comp. Phys. Commun. 207, 35 (2016)]. A reduced and linearized multi-species collision operator has been recently implemented, so that both neoclassical and turbulent transport channels can be treated self-consistently on an equal footing. In the Pfirsch-Schlüter regime likely relevant for tungsten, the standard expression of the neoclassical impurity flux is shown t...

  6. Self-consistent gyrokinetic modeling of neoclassical and turbulent impurity transport

    Science.gov (United States)

    Estève, D.; Sarazin, Y.; Garbet, X.; Grandgirard, V.; Breton, S.; Donnel, P.; Asahi, Y.; Bourdelle, C.; Dif-Pradalier, G.; Ehrlacher, C.; Emeriau, C.; Ghendrih, Ph.; Gillot, C.; Latu, G.; Passeron, C.

    2018-03-01

    Trace impurity transport is studied with the flux-driven gyrokinetic GYSELA code (Grandgirard et al 2016 Comput. Phys. Commun. 207 35). A reduced and linearized multi-species collision operator has been recently implemented, so that both neoclassical and turbulent transport channels can be treated self-consistently on an equal footing. In the Pfirsch-Schlüter regime that is probably relevant for tungsten, the standard expression for the neoclassical impurity flux is shown to be recovered from gyrokinetics with the employed collision operator. Purely neoclassical simulations of deuterium plasma with trace impurities of helium, carbon and tungsten lead to impurity diffusion coefficients, inward pinch velocities due to density peaking, and thermo-diffusion terms which quantitatively agree with neoclassical predictions and NEO simulations (Belli et al 2012 Plasma Phys. Control. Fusion 54 015015). The thermal screening factor appears to be less than predicted analytically in the Pfirsch-Schlüter regime, which can be detrimental to fusion performance. Finally, self-consistent nonlinear simulations have revealed that the tungsten impurity flux is not the sum of turbulent and neoclassical fluxes computed separately, as is usually assumed. The synergy partly results from the turbulence-driven in-out poloidal asymmetry of tungsten density. This result suggests the need for self-consistent simulations of impurity transport, i.e. including both turbulence and neoclassical physics, in view of quantitative predictions for ITER.

  7. Refining the Neoproterozoic and Early Paleozoic record of carbon cycling and seawater chemistry using quantitative geochemical models of redox dynamics and carbonate diagenesis

    DEFF Research Database (Denmark)

    Ahm, Anne-Sofie Crüger

    based records. Despite the prevalence of diagenesis in sedimentary rocks there are currently few robust geochemical tools capable of providing quantitative information on the extent of alteration from the primary signal. In order to fill this gap, Chapter 3 presents a numerical model of marine carbonate...... through diagenesis and provide more robust estimates for past seawater chemistry. Ancient carbonate rocks with extreme negative carbon isotopes are found worldwide bracketing the Marinoan glaciation (∼635 Ma). There is no scientific consensus as to whether these excursions originate from a primary...... perturbation in the carbon cycle or from diagenetic alterations. Chapter 4 merges new measurements of calcium, magnesium, and strontium isotopes in these sediments with the diagenetic model developed in Chapter 3 to offer new insights into the potential origin of these extreme isotope anomalies....

  8. CONSISTENT USE OF THE KALMAN FILTER IN CHEMICAL TRANSPORT MODELS (CTMS) FOR DEDUCING EMISSIONS

    Science.gov (United States)

    Past research has shown that emissions can be deduced using observed concentrations of a chemical, a Chemical Transport Model (CTM), and the Kalman filter in an inverse modeling application. An expression was derived for the relationship between the "observable" (i.e., the con...

  9. Geochemical modelling of water-rock interactions at the Osamu Utsumi mine and Morro do Ferro analogue study sites, Pocos de Caldas, Brazil

    International Nuclear Information System (INIS)

    Nordstrom, D.K.; Puigdomenech, I.; McNutt, R.H.

    1990-01-01

    Geochemical processes involving water-rock interactions have been modelled using groundwater composition, mineralogical data, ion plots and computations of speciation, non-thermodynamic mass balance and thermodynamic mass transfer for two natural analogue sites near Pocos de Caldas, Brazil: the Osamu Utsumi mine and Morro do Ferro. The main rock type is an alkaline igneous complex composed of volcanic and sub-volcanic phonolites that have been hydrothermally altered and highly weathered. This altered rock mass grades from a laterite at the surface to a saprolite and finally to unweathered, hydrothermally altered bedrock at depth. The mine site contains high concentrations of uranium and Morro do Ferro contains high concentrations of thorium and rare-earths. The reaction models can reproduce the water chemistry and mineral occurences and they were validated by predicting the masses of minerals precipitated and the pH of the final water. The model computations can also reproduce the pH and iron concentrations of the water samples during CO 2 degassing and iron(II) oxidation from exposure to air. The results from the geochemical reaction models reveal that the dominant processes are production of CO 2 in the soil zone through aerobic decay of organic matter, dissolution of fluorite, calcite, K-feldspar, albite and manganese oxides, oxidation of pyrite and sphalerite and precipitation of ferric oxides, silica and kaolinite. Recharge waters are undersaturated with respect to barite and discharging waters and deeper groundwaters are saturated to supersaturated with respect to barite, demonstrating a strong equilibrium solubility control. Strontium isotope data demonstrate that sources other than calcium-bearing minerals are required to account for the dissolved strontium in the ground. These may include K-feldspar, smectite-chlorite mixed-layer clays and goyazite. (author) 24 figs., 4 tabs., 18 refs

  10. Using open sidewalls for modelling self-consistent lithosphere subduction dynamics

    Directory of Open Access Journals (Sweden)

    M. V. Chertova

    2012-10-01

    Full Text Available Subduction modelling in regional model domains, in 2-D or 3-D, is commonly performed using closed (impermeable vertical boundaries. Here we investigate the merits of using open boundaries for 2-D modelling of lithosphere subduction. Our experiments are focused on using open and closed (free slip sidewalls while comparing results for two model aspect ratios of 3:1 and 6:1. Slab buoyancy driven subduction with open boundaries and free plates immediately develops into strong rollback with high trench retreat velocities and predominantly laminar asthenospheric flow. In contrast, free-slip sidewalls prove highly restrictive on subduction rollback evolution, unless the lithosphere plates are allowed to move away from the sidewalls. This initiates return flows pushing both plates toward the subduction zone speeding up subduction. Increasing the aspect ratio to 6:1 does not change the overall flow pattern when using open sidewalls but only the flow magnitude. In contrast, for free-slip boundaries, the slab evolution does change with respect to the 3:1 aspect ratio model and slab evolution does not resemble the evolution obtained with open boundaries using 6:1 aspect ratio. For models with open side boundaries, we could develop a flow-speed scaling based on energy dissipation arguments to convert between flow fields of different model aspect ratios. We have also investigated incorporating the effect of far-field generated lithosphere stress in our open boundary models. By applying realistic normal stress conditions to the strong part of the overriding plate at the sidewalls, we can transfer intraplate stress to influence subduction dynamics varying from slab roll-back, stationary subduction, to advancing subduction. The relative independence of the flow field on model aspect ratio allows for a smaller modelling domain. Open boundaries allow for subduction to evolve freely and avoid the adverse effects (e.g. forced return flows of free-slip boundaries. We

  11. A simple model of the plasma deflagration gun including self-consistent electric and magnetic fields

    International Nuclear Information System (INIS)

    Enloe, C.L.; Reinovsky, R.E.

    1985-01-01

    At the Air Force Weapons Laboratory, interest has continued for some time in energetic plasma injectors. A possible scheme for such a device is the plasma deflagration gun. When the question arose whether it would be possible to scale a deflagration gun to the multi-megajoule energy level, it became clear that a scaling law which described the fun as a circuit element and allowed one to confidently scale gun parameters would be required. The authors sought to develop a scaling law which self-consistently described the current, magnetic field, and velocity profiles in the gun. They based this scaling law on plasma parameters exclusively, abandoning the fluid approach

  12. Self-consistent Maxwell-Bloch model of quantum-dot photonic-crystal-cavity lasers

    DEFF Research Database (Denmark)

    Cartar, William; Mørk, Jesper; Hughes, Stephen

    2017-01-01

    -level emitters are solved numerically. Phenomenological pure dephasing and incoherent pumping is added to the optical Bloch equations to allow for a dynamical lasing regime, but the cavity-mediated radiative dynamics and gain coupling of each QD dipole (artificial atom) is contained self-consistently within......-mode to multimode lasing is also observed, depending on the spectral peak frequency of the QD ensemble. Using a statistical modal analysis of the average decay rates, we also show how the average radiative decay rate decreases as a function of cavity size. In addition, we investigate the role of structural disorder...

  13. Implicit implementation and consistent tangent modulus of a viscoplastic model for polymers

    OpenAIRE

    ACHOUR-RENAULT, Nadia; CHATZIGEORGIOU, George; MERAGHNI, Fodil; CHEMISKY, Yves; FITOUSSI, Joseph

    2015-01-01

    In this work, the phenomenological viscoplastic DSGZ model[Duan, Y., Saigal, A., Greif, R., Zimmerman, M. A., 2001. A Uniform Phenomenological Constitutive Model for Glassy and Semicrystalline Polymers. Polymer Engineering and Science 41 (8), 1322-1328], developed for glassy or semi-crystalline polymers, is numerically implemented in a three dimensional framework, following an implicit formulation. The computational methodology is based on the radial return mapping algorithm. This implicit fo...

  14. Self-Consistent Model of Magnetospheric Electric Field, Ring Current, Plasmasphere, and Electromagnetic Ion Cyclotron Waves: Initial Results

    Science.gov (United States)

    Gamayunov, K. V.; Khazanov, G. V.; Liemohn, M. W.; Fok, M.-C.; Ridley, A. J.

    2009-01-01

    Further development of our self-consistent model of interacting ring current (RC) ions and electromagnetic ion cyclotron (EMIC) waves is presented. This model incorporates large scale magnetosphere-ionosphere coupling and treats self-consistently not only EMIC waves and RC ions, but also the magnetospheric electric field, RC, and plasmasphere. Initial simulations indicate that the region beyond geostationary orbit should be included in the simulation of the magnetosphere-ionosphere coupling. Additionally, a self-consistent description, based on first principles, of the ionospheric conductance is required. These initial simulations further show that in order to model the EMIC wave distribution and wave spectral properties accurately, the plasmasphere should also be simulated self-consistently, since its fine structure requires as much care as that of the RC. Finally, an effect of the finite time needed to reestablish a new potential pattern throughout the ionosphere and to communicate between the ionosphere and the equatorial magnetosphere cannot be ignored.

  15. Methods for geochemical analysis

    Science.gov (United States)

    Baedecker, Philip A.

    1987-01-01

    The laboratories for analytical chemistry within the Geologic Division of the U.S. Geological Survey are administered by the Office of Mineral Resources. The laboratory analysts provide analytical support to those programs of the Geologic Division that require chemical information and conduct basic research in analytical and geochemical areas vital to the furtherance of Division program goals. Laboratories for research and geochemical analysis are maintained at the three major centers in Reston, Virginia, Denver, Colorado, and Menlo Park, California. The Division has an expertise in a broad spectrum of analytical techniques, and the analytical research is designed to advance the state of the art of existing techniques and to develop new methods of analysis in response to special problems in geochemical analysis. The geochemical research and analytical results are applied to the solution of fundamental geochemical problems relating to the origin of mineral deposits and fossil fuels, as well as to studies relating to the distribution of elements in varied geologic systems, the mechanisms by which they are transported, and their impact on the environment.

  16. Assessing the reliability of predictive activity coefficient models for molecules consisting of several functional groups

    Directory of Open Access Journals (Sweden)

    R. P. Gerber

    2013-03-01

    Full Text Available Currently, the most successful predictive models for activity coefficients are those based on functional groups such as UNIFAC. In contrast, these models require a large amount of experimental data for the determination of their parameter matrix. A more recent alternative is the models based on COSMO, for which only a small set of universal parameters must be calibrated. In this work, a recalibrated COSMO-SAC model was compared with the UNIFAC (Do model employing experimental infinite dilution activity coefficient data for 2236 non-hydrogen-bonding binary mixtures at different temperatures. As expected, UNIFAC (Do presented better overall performance, with a mean absolute error of 0.12 ln-units against 0.22 for our COSMO-SAC implementation. However, in cases involving molecules with several functional groups or when functional groups appear in an unusual way, the deviation for UNIFAC was 0.44 as opposed to 0.20 for COSMO-SAC. These results show that COSMO-SAC provides more reliable predictions for multi-functional or more complex molecules, reaffirming its future prospects.

  17. Thermodynamically self-consistent theory for the Blume-Capel model.

    Science.gov (United States)

    Grollau, S; Kierlik, E; Rosinberg, M L; Tarjus, G

    2001-04-01

    We use a self-consistent Ornstein-Zernike approximation to study the Blume-Capel ferromagnet on three-dimensional lattices. The correlation functions and the thermodynamics are obtained from the solution of two coupled partial differential equations. The theory provides a comprehensive and accurate description of the phase diagram in all regions, including the wing boundaries in a nonzero magnetic field. In particular, the coordinates of the tricritical point are in very good agreement with the best estimates from simulation or series expansion. Numerical and analytical analysis strongly suggest that the theory predicts a universal Ising-like critical behavior along the lambda line and the wing critical lines, and a tricritical behavior governed by mean-field exponents.

  18. The standard lateral gene transfer model is statistically consistent for pectinate four-taxon trees

    DEFF Research Database (Denmark)

    Sand, Andreas; Steel, Mike

    2013-01-01

    Evolutionary events such as incomplete lineage sorting and lateral gene transfers constitute major problems for inferring species trees from gene trees, as they can sometimes lead to gene trees which conflict with the underlying species tree. One particularly simple and efficient way to infer...... species trees from gene trees under such conditions is to combine three-taxon analyses for several genes using a majority vote approach. For incomplete lineage sorting this method is known to be statistically consistent; however, for lateral gene transfers it was recently shown that a zone...... of inconsistency exists for a specific four-taxon tree topology, and it was posed as an open question whether inconsistencies could exist for other four-taxon tree topologies? In this letter we analyze all remaining four-taxon topologies and show that no other inconsistencies exist....

  19. A self-consistent model for low-high transitions in tokamaks

    International Nuclear Information System (INIS)

    Guzdar, P.N.; Hassam, A.B.

    1996-01-01

    A system of equations that couples the rapidly varying fluctuations of resistive ballooning modes to the slowly varying transport of the density, vorticity and parallel momentum have been derived and solved numerically. Only a single toroidal mode number is retained in the present work. The low-mode (L-mode) phase consists of strong poloidally asymmetric particle transport driven by resistive ballooning modes, with larger flux on the outboard side compared to the inboard side. With the onset of shear flow driven by a combination of toroidal drive mechanisms as well as the Reynolds stress, the fluctuations associated with the resistive ballooning modes are attenuated leading to a strong reduction in the particle transport. The drop in the particle transport results in steepening of the density profile leading to the high-mode (H-mode). copyright 1996 American Institute of Physics

  20. Coulomb displacement energies in relativistic and non-relativistic self-consistent models

    International Nuclear Information System (INIS)

    Marcos, S.; Savushkin, L.N.; Giai, N. van.

    1992-03-01

    Coulomb displacement energies in mirror nuclei are comparatively analyzed in Dirac-Hartree and Skyrme-Hartree-Fock models. Using a non-linear effective Lagrangian fitted on ground state properties of finite nuclei, it is found that the predictions of relativistic models are lower than those of Hartree-Fock calculations with Skyrme force. The main sources of reduction are the kinetic energy and the Coulomb-nuclear interference potential. The discrepancy with the data is larger than in the Skyrme-Hartree-Fock case. (author) 24 refs., 3 tabs

  1. Is the thermal-spike model consistent with experimentally determined electron temperature?

    International Nuclear Information System (INIS)

    Ajryan, Eh.A.; Fedorov, A.V.; Kostenko, B.F.

    2000-01-01

    Carbon K-Auger electron spectra from amorphous carbon foils induced by fast heavy ions are theoretically investigated. The high-energy tail of the Auger structure showing a clear projectile charge dependence is analyzed within the thermal-spike model framework as well as in the frame of another model taking into account some kinetic features of the process. A poor comparison results between theoretically and experimentally determined temperatures are suggested to be due to an improper account of double electron excitations or due to shake-up processes which leave the system in a more energetic initial state than a statically screened core hole

  2. Investigating the consistency between proxy-based reconstructions and climate models using data assimilation: a mid-Holocene case study

    NARCIS (Netherlands)

    A. Mairesse; H. Goosse; P. Mathiot; H. Wanner; S. Dubinkina (Svetlana)

    2013-01-01

    htmlabstractThe mid-Holocene (6 kyr BP; thousand years before present) is a key period to study the consistency between model results and proxy-based reconstruction data as it corresponds to a standard test for models and a reasonable number of proxy-based records is available. Taking advantage of

  3. Strong time-consistency in the cartel-versus-fringe model

    NARCIS (Netherlands)

    Groot, F.; Withagen, C.A.A.M.; Zeeuw, de A.J.

    2003-01-01

    Due to developments on the oil market in the 1970s, the theory of exhaustible resources was extended with the cartel-versus-fringe model to characterize markets with one big coherent cartel and a large number of small suppliers called the fringe. Because cartel and fringe are leader and follower,

  4. Self-consistent semi-analytic models of the first stars

    Science.gov (United States)

    Visbal, Eli; Haiman, Zoltán; Bryan, Greg L.

    2018-04-01

    We have developed a semi-analytic framework to model the large-scale evolution of the first Population III (Pop III) stars and the transition to metal-enriched star formation. Our model follows dark matter haloes from cosmological N-body simulations, utilizing their individual merger histories and three-dimensional positions, and applies physically motivated prescriptions for star formation and feedback from Lyman-Werner (LW) radiation, hydrogen ionizing radiation, and external metal enrichment due to supernovae winds. This method is intended to complement analytic studies, which do not include clustering or individual merger histories, and hydrodynamical cosmological simulations, which include detailed physics, but are computationally expensive and have limited dynamic range. Utilizing this technique, we compute the cumulative Pop III and metal-enriched star formation rate density (SFRD) as a function of redshift at z ≥ 20. We find that varying the model parameters leads to significant qualitative changes in the global star formation history. The Pop III star formation efficiency and the delay time between Pop III and subsequent metal-enriched star formation are found to have the largest impact. The effect of clustering (i.e. including the three-dimensional positions of individual haloes) on various feedback mechanisms is also investigated. The impact of clustering on LW and ionization feedback is found to be relatively mild in our fiducial model, but can be larger if external metal enrichment can promote metal-enriched star formation over large distances.

  5. A consistent multigroup model for radiative transfer and its underlying mean opacities

    International Nuclear Information System (INIS)

    Turpault, Rodolphe

    2005-01-01

    In some regimes, such as in plasma physics or in super orbital atmospheric entry of space objects, the effects of radiation are crucial and can tremendously modify the hydrodynamics of the gas. In such cases, it is therefore important to have a good prediction of the radiative variables. However, full transport solutions of these multi-dimensional, time-dependent problems are too expensive to get to be involved in a coupled configuration. It is hence necessary to develop other models for radiation that are cheap, yet accurate enough to give good predictions of the radiative effects. We will herein introduce the multigroup-M1 model and look at its characteristics and in particular try to separate the angular error from the frequential one since these two approximation play very different roles. The angular behaviour of the model will be tested on a case proposed by Su and Olson and used by Olson et al. to compare various moments and (flux-limited) diffusion models. For the frequency behaviour, we use a simplified flame test-case and show the importance of taking good mean opacities

  6. Thermodynamically consistent modeling and simulation of multi-component two-phase flow with partial miscibility

    KAUST Repository

    Kou, Jisheng; Sun, Shuyu

    2017-01-01

    A general diffuse interface model with a realistic equation of state (e.g. Peng-Robinson equation of state) is proposed to describe the multi-component two-phase fluid flow based on the principles of the NVT-based framework which is an attractive

  7. Self-consistent model for the radial current generation during fishbone activity

    International Nuclear Information System (INIS)

    Lutsenko, V.V.; Marchenko, V.S.

    2002-01-01

    Line broadened quasilinear burst model, originally developed for the bump-on-tail instability [H. L. Berk et al., Nucl. Fusion 35, 1661 (1995)], is extended to the problem of sheared flow generation by the fishbone burst. It is supposed that the radial current of the resonant fast ions can be sufficient to create the transport barrier

  8. Latent state-trait models for longitudinal family data : Investigating consistency in perceived support

    NARCIS (Netherlands)

    Loncke, Justine; Mayer, Axel; Eichelsheim, Veroni I.; Branje, Susan J.T.; Meeus, Wim H.J.; Koot, Hans M.; Buysse, Ann; Loeys, Tom

    2017-01-01

    Support is key to healthy family functioning. Using the family social relations model (SRM), it has already been shown that variability in perceived support is mostly attributed to individual perceiver effects. Little is known, however, as to whether those effects are stable or occasion-specific.

  9. Latent state-trait models for longitudinal family data investigating consistency in perceived support

    NARCIS (Netherlands)

    Loncke, Justine; Mayer, Axel; Eichelsheim, Veroni I.; Branje, Susan J. T.; Meeus, W.H.J.; Koot, Hans M.; Buysse, Ann; Loeys, Tom

    Support is key to healthy family functioning. Using the family social relations model (SRM), it has already been shown that variability in perceived support is mostly attributed to individual perceiver effects. Little is known, however, as to whether those effects are stable or occasion-specific.

  10. A self-consistent model for the Galactic cosmic ray, antiproton and positron spectra

    CERN Multimedia

    CERN. Geneva

    2015-01-01

    In this talk I will present the escape model of Galactic cosmic rays. This model explains the measured cosmic ray spectra of individual groups of nuclei from TeV to EeV energies. It predicts an early transition to extragalactic cosmic rays, in agreement with recent Auger data. The escape model also explains the soft neutrino spectrum 1/E^2.5 found by IceCube in concordance with Fermi gamma-ray data. I will show that within the same model one can explain the excess of positrons and antiprotons above 20 GeV found by PAMELA and AMS-02, the discrepancy in the slopes of the spectra of cosmic ray protons and heavier nuclei in the TeV-PeV energy range and the plateau in cosmic ray dipole anisotropy in the 2-50 TeV energy range by adding the effects of a 2 million year old nearby supernova.

  11. Consistent stress-strain ductile fracture model as applied to two grades of beryllium

    International Nuclear Information System (INIS)

    Priddy, T.G.; Benzley, S.E.; Ford, L.M.

    1980-01-01

    Published yield and ultimate biaxial stress and strain data for two grades of beryllium are correlated with a more complete method of characterizing macroscopic strain at fracture initiation in ductile materials. Results are compared with those obtained from an exponential, mean stress dependent, model. Simple statistical methods are employed to illustrate the degree of correlation for each method with the experimental data

  12. Self-consistent collisional-radiative model for hydrogen atoms: Atom–atom interaction and radiation transport

    International Nuclear Information System (INIS)

    Colonna, G.; Pietanza, L.D.; D’Ammando, G.

    2012-01-01

    Graphical abstract: Self-consistent coupling between radiation, state-to-state kinetics, electron kinetics and fluid dynamics. Highlight: ► A CR model of shock-wave in hydrogen plasma has been presented. ► All equations have been coupled self-consistently. ► Non-equilibrium electron and level distributions are obtained. ► The results show non-local effects and non-equilibrium radiation. - Abstract: A collisional-radiative model for hydrogen atom, coupled self-consistently with the Boltzmann equation for free electrons, has been applied to model a shock tube. The kinetic model has been completed considering atom–atom collisions and the vibrational kinetics of the ground state of hydrogen molecules. The atomic level kinetics has been also coupled with a radiative transport equation to determine the effective adsorption and emission coefficients and non-local energy transfer.

  13. Thermodynamically consistent modeling and simulation of multi-component two-phase flow with partial miscibility

    KAUST Repository

    Kou, Jisheng

    2017-12-09

    A general diffuse interface model with a realistic equation of state (e.g. Peng-Robinson equation of state) is proposed to describe the multi-component two-phase fluid flow based on the principles of the NVT-based framework which is an attractive alternative recently over the NPT-based framework to model the realistic fluids. The proposed model uses the Helmholtz free energy rather than Gibbs free energy in the NPT-based framework. Different from the classical routines, we combine the first law of thermodynamics and related thermodynamical relations to derive the entropy balance equation, and then we derive a transport equation of the Helmholtz free energy density. Furthermore, by using the second law of thermodynamics, we derive a set of unified equations for both interfaces and bulk phases that can describe the partial miscibility of multiple fluids. A relation between the pressure gradient and chemical potential gradients is established, and this relation leads to a new formulation of the momentum balance equation, which demonstrates that chemical potential gradients become the primary driving force of fluid motion. Moreover, we prove that the proposed model satisfies the total (free) energy dissipation with time. For numerical simulation of the proposed model, the key difficulties result from the strong nonlinearity of Helmholtz free energy density and tight coupling relations between molar densities and velocity. To resolve these problems, we propose a novel convex-concave splitting of Helmholtz free energy density and deal well with the coupling relations between molar densities and velocity through very careful physical observations with a mathematical rigor. We prove that the proposed numerical scheme can preserve the discrete (free) energy dissipation. Numerical tests are carried out to verify the effectiveness of the proposed method.

  14. Motivation, description, and summary status of geomechanical and geochemical modeling studies in Task D of the International DECOVALEX-THMC Project

    International Nuclear Information System (INIS)

    Birkholzer, J.T.; Barr, D.; Rutqvist, J.; Sonnenthal, E.

    2005-01-01

    The DECOVALEX project is an international cooperative project initiated by SKI, the Swedish Nuclear Power Inspectorate, with participation of about 10 international organizations. The general goal of this project is to encourage multidisciplinary interactive and cooperative research on modeling coupled thermo-hydro-mechanical-chemical (THMC) processes in geologic formations in support of the performance assessment for underground storage of radioactive waste. One of the research tasks, initiated in 2004 by the U.S. Department of Energy (DOE), addresses the long-term impact of geomechanical and geochemical processes on the flow conditions near waste emplacement tunnels. Within this task, four international research teams conduct predictive analysis of the coupled processes in two generic repositories, using multiple approaches and different computer codes. Below, we give an overview of the research task and report its current status

  15. Self-Consistent 3D Modeling of Electron Cloud Dynamics and Beam Response

    International Nuclear Information System (INIS)

    Furman, Miguel; Furman, M.A.; Celata, C.M.; Kireeff-Covo, M.; Sonnad, K.G.; Vay, J.-L.; Venturini, M.; Cohen, R.; Friedman, A.; Grote, D.; Molvik, A.; Stoltz, P.

    2007-01-01

    We present recent advances in the modeling of beam electron-cloud dynamics, including surface effects such as secondary electron emission, gas desorption, etc, and volumetric effects such as ionization of residual gas and charge-exchange reactions. Simulations for the HCX facility with the code WARP/POSINST will be described and their validity demonstrated by benchmarks against measurements. The code models a wide range of physical processes and uses a number of novel techniques, including a large-timestep electron mover that smoothly interpolates between direct orbit calculation and guiding-center drift equations, and a new computational technique, based on a Lorentz transformation to a moving frame, that allows the cost of a fully 3D simulation to be reduced to that of a quasi-static approximation

  16. Genome scale models of yeast: towards standardized evaluation and consistent omic integration

    DEFF Research Database (Denmark)

    Sanchez, Benjamin J.; Nielsen, Jens

    2015-01-01

    Genome scale models (GEMs) have enabled remarkable advances in systems biology, acting as functional databases of metabolism, and as scaffolds for the contextualization of high-throughput data. In the case of Saccharomyces cerevisiae (budding yeast), several GEMs have been published and are curre......Genome scale models (GEMs) have enabled remarkable advances in systems biology, acting as functional databases of metabolism, and as scaffolds for the contextualization of high-throughput data. In the case of Saccharomyces cerevisiae (budding yeast), several GEMs have been published...... in which all levels of omics data (from gene expression to flux) have been integrated in yeast GEMs. Relevant conclusions and current challenges for both GEM evaluation and omic integration are highlighted....

  17. Do we really use rainfall observations consistent with reality in hydrological modelling?

    Science.gov (United States)

    Ciampalini, Rossano; Follain, Stéphane; Raclot, Damien; Crabit, Armand; Pastor, Amandine; Moussa, Roger; Le Bissonnais, Yves

    2017-04-01

    Spatial and temporal patterns in rainfall control how water reaches soil surface and interacts with soil properties (i.e., soil wetting, infiltration, saturation). Once a hydrological event is defined by a rainfall with its spatiotemporal variability and by some environmental parameters such as soil properties (including land use, topographic and anthropic features), the evidence shows that each parameter variation produces different, specific outputs (e.g., runoff, flooding etc.). In this study, we focus on the effect of rainfall patterns because, due to the difficulty to dispose of detailed data, their influence in modelling is frequently underestimated or neglected. A rainfall event affects a catchment non uniformly, it is spatially localized and its pattern moves in space and time. The way and the time how the water reaches the soil and saturates it respect to the geometry of the catchment deeply influences soil saturation, runoff, and then sediment delivery. This research, approaching a hypothetical, simple case, aims to stimulate the debate on the reliability of the rainfall quality used in hydrological / soil erosion modelling. We test on a small catchment of the south of France (Roujan, Languedoc Roussillon) the influence of rainfall variability with the use of a HD hybrid hydrological - soil erosion model, combining a cinematic wave with the St. Venant equation and a simplified "bucket" conceptual model for ground water, able to quantify the effect of different spatiotemporal patterns of a very-high-definition synthetic rainfall. Results indicate that rainfall spatiotemporal patterns are crucial simulating an erosive event: differences between spatially uniform rainfalls, as frequently adopted in simulations, and some hypothetical rainfall patterns here applied, reveal that the outcome of a simulated event can be highly underestimated.

  18. Flood damage: a model for consistent, complete and multipurpose scenarios

    Directory of Open Access Journals (Sweden)

    S. Menoni

    2016-12-01

    implemented in ex post damage assessments, also with the objective of better programming financial resources that will be needed for these types of events in the future. On the other hand, integrated interpretations of flood events are fundamental to adapting and optimizing flood mitigation strategies on the basis of thorough forensic investigation of each event, as corroborated by the implementation of the model in a case study.

  19. A consistent model for leptogenesis, dark matter and the IceCube signal

    Energy Technology Data Exchange (ETDEWEB)

    Fiorentin, M. Re [School of Physics and Astronomy, University of Southampton,SO17 1BJ Southampton (United Kingdom); Niro, V. [Departamento de Física Teórica, Universidad Autónoma de Madrid,Cantoblanco, E-28049 Madrid (Spain); Instituto de Física Teórica UAM/CSIC,Calle Nicolás Cabrera 13-15, Cantoblanco, E-28049 Madrid (Spain); Fornengo, N. [Dipartimento di Fisica, Università di Torino,via P. Giuria, 1, 10125 Torino (Italy); Istituto Nazionale di Fisica Nucleare, Sezione di Torino,via P. Giuria, 1, 10125 Torino (Italy)

    2016-11-04

    We discuss a left-right symmetric extension of the Standard Model in which the three additional right-handed neutrinos play a central role in explaining the baryon asymmetry of the Universe, the dark matter abundance and the ultra energetic signal detected by the IceCube experiment. The energy spectrum and neutrino flux measured by IceCube are ascribed to the decays of the lightest right-handed neutrino N{sub 1}, thus fixing its mass and lifetime, while the production of N{sub 1} in the primordial thermal bath occurs via a freeze-in mechanism driven by the additional SU(2){sub R} interactions. The constraints imposed by IceCube and the dark matter abundance allow nonetheless the heavier right-handed neutrinos to realize a standard type-I seesaw leptogenesis, with the B−L asymmetry dominantly produced by the next-to-lightest neutrino N{sub 2}. Further consequences and predictions of the model are that: the N{sub 1} production implies a specific power-law relation between the reheating temperature of the Universe and the vacuum expectation value of the SU(2){sub R} triplet; leptogenesis imposes a lower bound on the reheating temperature of the Universe at 7×10{sup 9} GeV. Additionally, the model requires a vanishing absolute neutrino mass scale m{sub 1}≃0.

  20. Demonstration of a geostatistical approach to physically consistent downscaling of climate modeling simulations

    KAUST Repository

    Jha, Sanjeev Kumar; Mariethoz, Gregoire; Evans, Jason P.; McCabe, Matthew

    2013-01-01

    A downscaling approach based on multiple-point geostatistics (MPS) is presented. The key concept underlying MPS is to sample spatial patterns from within training images, which can then be used in characterizing the relationship between different variables across multiple scales. The approach is used here to downscale climate variables including skin surface temperature (TSK), soil moisture (SMOIS), and latent heat flux (LH). The performance of the approach is assessed by applying it to data derived from a regional climate model of the Murray-Darling basin in southeast Australia, using model outputs at two spatial resolutions of 50 and 10 km. The data used in this study cover the period from 1985 to 2006, with 1985 to 2005 used for generating the training images that define the relationships of the variables across the different spatial scales. Subsequently, the spatial distributions for the variables in the year 2006 are determined at 10 km resolution using the 50 km resolution data as input. The MPS geostatistical downscaling approach reproduces the spatial distribution of TSK, SMOIS, and LH at 10 km resolution with the correct spatial patterns over different seasons, while providing uncertainty estimates through the use of multiple realizations. The technique has the potential to not only bridge issues of spatial resolution in regional and global climate model simulations but also in feature sharpening in remote sensing applications through image fusion, filling gaps in spatial data, evaluating downscaled variables with available remote sensing images, and aggregating/disaggregating hydrological and groundwater variables for catchment studies.

  1. Integrative Modeling of cap-rock Integrity in the Context of CO2 Storage: Evolution of Transport and Geochemical Properties and Impact on Performance and Safety Assessment

    International Nuclear Information System (INIS)

    Bildstein, O.; Credoz, A.; Jullien, M.; Kervevan, C.; Audigane, P.; Jacquemet, N.; Lagneau, V.; Delaplace, P.; Perfetti, E.

    2010-01-01

    The objective of the 'Geocarbone-INTEGRITE' project (2005-2008) was to develop a methodology to assess the integrity of the cap-rock involved in the geological storage of CO 2 . A specific work package of the project (WP5) was dedicated to the integration of (1) the phenomenology describing the evolution of the storage system with a focus on the mechanisms occurring in the cap-rock and at the interface with the cap-rock, and (2) the data obtained from the investigation of petrographical, geomechanical, and geochemical properties, before and after reaction with CO 2 -rich solutions, performed in the other work packages (WP1 to WP4). This knowledge was introduced in numerical models and specific safety scenarios were defined in order to assess the performance of the CO 2 storage system. The results of the modeling show that the injection of CO 2 can potentially have a significant effect on the cap-rock by changing the porosity due to the dissolution and precipitation of minerals, but that the impact is limited to a zone from several decimeters to several meters of the cap-rock close to the interface with the reservoir depending on whether the supercritical carbon dioxide (SC-CO 2 ) plume enters into the cap-rock and if fractures are present at this location. The methodology used in this project can be applied to a pilot site for the injection of CO 2 in the Paris Basin. A key aspect of the safety of such a facility will be to look at the coupling of geochemical alteration and the evolution of geomechanical properties in the short and medium terms (several hundreds of years). The challenge for the future will be to structure and apply the safety assessment methodology with an operational finality, in order to support the robustness of the transition step to CGS projects at the industrial scale. (authors)

  2. Geochemical Investigations of Groundwater Stability

    International Nuclear Information System (INIS)

    Bath, Adrian

    2006-05-01

    The report describes geochemical parameters and methods that provide information about the hydrodynamic stability of groundwaters in low permeability fractured rocks that are potential hosts for radioactive waste repositories. Hydrodynamic stability describes the propensity for changes in groundwater flows over long timescales, in terms of flow rates and flow directions. Hydrodynamic changes may also cause changes in water compositions, but the related issue of geochemical stability of a potential repository host rock system is outside the scope of this report. The main approaches to assessing groundwater stability are numerical modelling, measurement and interpretation of geochemical indicators in groundwater compositions, and analyses and interpretations of secondary minerals and fluid inclusions in these minerals. This report covers the latter two topics, with emphasis on geochemical indicators. The extent to which palaeohydrogeology and geochemical stability indicators have been used in past safety cases is reviewed. It has been very variable, both in terms of the scenarios considered, the stability indicators considered and the extent to which the information was explicitly or implicitly used in assessing FEPs and scenarios in the safety cases. Geochemical indicators of hydrodynamic stability provide various categories of information that are of hydrogeological relevance. Information about groundwater mixing, flows and water sources is